Daily Papers

Explainable Artificial Intelligence (XAI) addresses the growing need for transparency and interpretability in AI systems, enabling trust and accountability in decision-making processes. This book offers a comprehensive guide to XAI, bridging foundational concepts with advanced methodologies. It explores interpretability in traditional models such as Decision Trees, Linear Regression, and Support Vector Machines, alongside the challenges of explaining deep learning architectures like CNNs, RNNs, and Large Language Models (LLMs), including BERT, GPT, and T5. The book presents practical techniques such as SHAP, LIME, Grad-CAM, counterfactual explanations, and causal inference, supported by Python code examples for real-world applications. Case studies illustrate XAI's role in healthcare, finance, and policymaking, demonstrating its impact on fairness and decision support. The book also covers evaluation metrics for explanation quality, an overview of cutting-edge XAI tools and frameworks, and emerging research directions, such as interpretability in federated learning and ethical AI considerations. Designed for a broad audience, this resource equips readers with the theoretical insights and practical skills needed to master XAI. Hands-on examples and additional resources are available at the companion GitHub repository: https://github.com/Echoslayer/XAI_From_Classical_Models_to_LLMs.

In recent years, machine learning models like DALL-E, Craiyon, and Stable Diffusion have gained significant attention for their ability to generate high-resolution images from concise descriptions. Concurrently, quantum computing is showing promising advances, especially with quantum machine learning which capitalizes on quantum mechanics to meet the increasing computational requirements of traditional machine learning algorithms. This paper explores the integration of quantum machine learning and variational quantum circuits to augment the efficacy of diffusion-based image generation models. Specifically, we address two challenges of classical diffusion models: their low sampling speed and the extensive parameter requirements. We introduce two quantum diffusion models and benchmark their capabilities against their classical counterparts using MNIST digits, Fashion MNIST, and CIFAR-10. Our models surpass the classical models with similar parameter counts in terms of performance metrics FID, SSIM, and PSNR. Moreover, we introduce a consistency model unitary single sampling architecture that combines the diffusion procedure into a single step, enabling a fast one-step image generation.

Irregularly sampled time series data arise naturally in many application domains including biology, ecology, climate science, astronomy, and health. Such data represent fundamental challenges to many classical models from machine learning and statistics due to the presence of non-uniform intervals between observations. However, there has been significant progress within the machine learning community over the last decade on developing specialized models and architectures for learning from irregularly sampled univariate and multivariate time series data. In this survey, we first describe several axes along which approaches to learning from irregularly sampled time series differ including what data representations they are based on, what modeling primitives they leverage to deal with the fundamental problem of irregular sampling, and what inference tasks they are designed to perform. We then survey the recent literature organized primarily along the axis of modeling primitives. We describe approaches based on temporal discretization, interpolation, recurrence, attention and structural invariance. We discuss similarities and differences between approaches and highlight primary strengths and weaknesses.

Self-supervised pre-training of language models usually consists in predicting probability distributions over extensive token vocabularies. In this study, we propose an innovative method that shifts away from probability prediction and instead focuses on reconstructing input embeddings in a contrastive fashion via Constrastive Weight Tying (CWT). We apply this approach to pretrain Headless Language Models in both monolingual and multilingual contexts. Our method offers practical advantages, substantially reducing training computational requirements by up to 20 times, while simultaneously enhancing downstream performance and data efficiency. We observe a significant +1.6 GLUE score increase and a notable +2.7 LAMBADA accuracy improvement compared to classical LMs within similar compute budgets.

Software traceability establishes and leverages associations between diverse development artifacts. Researchers have proposed the use of deep learning trace models to link natural language artifacts, such as requirements and issue descriptions, to source code; however, their effectiveness has been restricted by availability of labeled data and efficiency at runtime. In this study, we propose a novel framework called Trace BERT (T-BERT) to generate trace links between source code and natural language artifacts. To address data sparsity, we leverage a three-step training strategy to enable trace models to transfer knowledge from a closely related Software Engineering challenge, which has a rich dataset, to produce trace links with much higher accuracy than has previously been achieved. We then apply the T-BERT framework to recover links between issues and commits in Open Source Projects. We comparatively evaluated accuracy and efficiency of three BERT architectures. Results show that a Single-BERT architecture generated the most accurate links, while a Siamese-BERT architecture produced comparable results with significantly less execution time. Furthermore, by learning and transferring knowledge, all three models in the framework outperform classical IR trace models. On the three evaluated real-word OSS projects, the best T-BERT stably outperformed the VSM model with average improvements of 60.31% measured using Mean Average Precision (MAP). RNN severely underperformed on these projects due to insufficient training data, while T-BERT overcame this problem by using pretrained language models and transfer learning.

Classical models of memory in psychology and neuroscience rely on similarity-based retrieval of stored patterns, where similarity is a function of retrieval cues and the stored patterns. While parsimonious, these models do not allow distinct representations for storage and retrieval, despite their distinct computational demands. Key-value memory systems, in contrast, distinguish representations used for storage (values) and those used for retrieval (keys). This allows key-value memory systems to optimize simultaneously for fidelity in storage and discriminability in retrieval. We review the computational foundations of key-value memory, its role in modern machine learning systems, related ideas from psychology and neuroscience, applications to a number of empirical puzzles, and possible biological implementations.

Time series modeling is a well-established problem, which often requires that methods (1) expressively represent complicated dependencies, (2) forecast long horizons, and (3) efficiently train over long sequences. State-space models (SSMs) are classical models for time series, and prior works combine SSMs with deep learning layers for efficient sequence modeling. However, we find fundamental limitations with these prior approaches, proving their SSM representations cannot express autoregressive time series processes. We thus introduce SpaceTime, a new state-space time series architecture that improves all three criteria. For expressivity, we propose a new SSM parameterization based on the companion matrix -- a canonical representation for discrete-time processes -- which enables SpaceTime's SSM layers to learn desirable autoregressive processes. For long horizon forecasting, we introduce a "closed-loop" variation of the companion SSM, which enables SpaceTime to predict many future time-steps by generating its own layer-wise inputs. For efficient training and inference, we introduce an algorithm that reduces the memory and compute of a forward pass with the companion matrix. With sequence length ell and state-space size d, we go from O(d ell) na\"ively to O(d + ell). In experiments, our contributions lead to state-of-the-art results on extensive and diverse benchmarks, with best or second-best AUROC on 6 / 7 ECG and speech time series classification, and best MSE on 14 / 16 Informer forecasting tasks. Furthermore, we find SpaceTime (1) fits AR(p) processes that prior deep SSMs fail on, (2) forecasts notably more accurately on longer horizons than prior state-of-the-art, and (3) speeds up training on real-world ETTh1 data by 73% and 80% relative wall-clock time over Transformers and LSTMs.

Deep learning based rendering has demonstrated major improvements for photo-realistic image synthesis, applicable to various applications including visual effects in movies and photo-realistic scene building in video games. However, a significant limitation is the difficulty of decomposing the illumination and material parameters, which limits such methods to reconstruct an input scene, without any possibility to control these parameters. This paper introduces a novel physics based neural deferred shading pipeline to decompose the data-driven rendering process, learn a generalizable shading function to produce photo-realistic results for shading and relighting tasks, we also provide a shadow estimator to efficiently mimic shadowing effect. Our model achieves improved performance compared to classical models and a state-of-art neural shading model, and enables generalizable photo-realistic shading from arbitrary illumination input.

We show that protein sequences can be thought of as sentences in natural language processing and can be parsed using the existing Quantum Natural Language framework into parameterized quantum circuits of reasonable qubits, which can be trained to solve various protein-related machine-learning problems. We classify proteins based on their subcellular locations, a pivotal task in bioinformatics that is key to understanding biological processes and disease mechanisms. Leveraging the quantum-enhanced processing capabilities, we demonstrate that Quantum Tensor Networks (QTN) can effectively handle the complexity and diversity of protein sequences. We present a detailed methodology that adapts QTN architectures to the nuanced requirements of protein data, supported by comprehensive experimental results. We demonstrate two distinct QTNs, inspired by classical recurrent neural networks (RNN) and convolutional neural networks (CNN), to solve the binary classification task mentioned above. Our top-performing quantum model has achieved a 94% accuracy rate, which is comparable to the performance of a classical model that uses the ESM2 protein language model embeddings. It's noteworthy that the ESM2 model is extremely large, containing 8 million parameters in its smallest configuration, whereas our best quantum model requires only around 800 parameters. We demonstrate that these hybrid models exhibit promising performance, showcasing their potential to compete with classical models of similar complexity.

Image classification, a pivotal task in multiple industries, faces computational challenges due to the burgeoning volume of visual data. This research addresses these challenges by introducing two quantum machine learning models that leverage the principles of quantum mechanics for effective computations. Our first model, a hybrid quantum neural network with parallel quantum circuits, enables the execution of computations even in the noisy intermediate-scale quantum era, where circuits with a large number of qubits are currently infeasible. This model demonstrated a record-breaking classification accuracy of 99.21% on the full MNIST dataset, surpassing the performance of known quantum-classical models, while having eight times fewer parameters than its classical counterpart. Also, the results of testing this hybrid model on a Medical MNIST (classification accuracy over 99%), and on CIFAR-10 (classification accuracy over 82%), can serve as evidence of the generalizability of the model and highlights the efficiency of quantum layers in distinguishing common features of input data. Our second model introduces a hybrid quantum neural network with a Quanvolutional layer, reducing image resolution via a convolution process. The model matches the performance of its classical counterpart, having four times fewer trainable parameters, and outperforms a classical model with equal weight parameters. These models represent advancements in quantum machine learning research and illuminate the path towards more accurate image classification systems.

Topic models can be useful tools to discover latent topics in collections of documents. Recent studies have shown the feasibility of approach topic modeling as a clustering task. We present BERTopic, a topic model that extends this process by extracting coherent topic representation through the development of a class-based variation of TF-IDF. More specifically, BERTopic generates document embedding with pre-trained transformer-based language models, clusters these embeddings, and finally, generates topic representations with the class-based TF-IDF procedure. BERTopic generates coherent topics and remains competitive across a variety of benchmarks involving classical models and those that follow the more recent clustering approach of topic modeling.

This paper introduces a neural model for concept-to-text generation that scales to large, rich domains. We experiment with a new dataset of biographies from Wikipedia that is an order of magnitude larger than existing resources with over 700k samples. The dataset is also vastly more diverse with a 400k vocabulary, compared to a few hundred words for Weathergov or Robocup. Our model builds upon recent work on conditional neural language model for text generation. To deal with the large vocabulary, we extend these models to mix a fixed vocabulary with copy actions that transfer sample-specific words from the input database to the generated output sentence. Our neural model significantly out-performs a classical Kneser-Ney language model adapted to this task by nearly 15 BLEU.

In today's technologically driven world, the rapid spread of fake news, particularly during critical events like elections, poses a growing threat to the integrity of information. To tackle this challenge head-on, we introduce FakeWatch, a comprehensive framework carefully designed to detect fake news. Leveraging a newly curated dataset of North American election-related news articles, we construct robust classification models. Our framework integrates a model hub comprising of both traditional machine learning (ML) techniques, and state-of-the-art Language Models (LMs) to discern fake news effectively. Our objective is to provide the research community with adaptable and precise classification models adept at identifying fake news for the elections agenda. Quantitative evaluations of fake news classifiers on our dataset reveal that, while state-of-the-art LMs exhibit a slight edge over traditional ML models, classical models remain competitive due to their balance of accuracy and computational efficiency. Additionally, qualitative analyses shed light on patterns within fake news articles. We provide our labeled data at https://huggingface.co/datasets/newsmediabias/fake_news_elections_labelled_data and model https://huggingface.co/newsmediabias/FakeWatch for reproducibility and further research.

Topic model evaluation, like evaluation of other unsupervised methods, can be contentious. However, the field has coalesced around automated estimates of topic coherence, which rely on the frequency of word co-occurrences in a reference corpus. Contemporary neural topic models surpass classical ones according to these metrics. At the same time, topic model evaluation suffers from a validation gap: automated coherence, developed for classical models, has not been validated using human experimentation for neural models. In addition, a meta-analysis of topic modeling literature reveals a substantial standardization gap in automated topic modeling benchmarks. To address the validation gap, we compare automated coherence with the two most widely accepted human judgment tasks: topic rating and word intrusion. To address the standardization gap, we systematically evaluate a dominant classical model and two state-of-the-art neural models on two commonly used datasets. Automated evaluations declare a winning model when corresponding human evaluations do not, calling into question the validity of fully automatic evaluations independent of human judgments.

Introduction: The paper addresses the challenging problem of predicting the short-term realized volatility of the Bitcoin price using order flow information. The inherent stochastic nature and anti-persistence of price pose difficulties in accurate prediction. Methods: To address this, we propose a method that transforms order flow data over a fixed time interval (snapshots) into images. The order flow includes trade sizes, trade directions, and limit order book, and is mapped into image colour channels. These images are then used to train both a simple 3-layer Convolutional Neural Network (CNN) and more advanced ResNet-18 and ConvMixer, with additionally supplementing them with hand-crafted features. The models are evaluated against classical GARCH, Multilayer Perceptron trained on raw data, and a naive guess method that considers current volatility as a prediction. Results: The experiments are conducted using price data from January 2021 and evaluate model performance in terms of root mean square error (RMSPE). The results show that our order flow representation with a CNN as a predictive model achieves the best performance, with an RMSPE of 0.85+/-1.1 for the model with aggregated features and 1.0+/-1.4 for the model without feature supplementation. ConvMixer with feature supplementation follows closely. In comparison, the RMSPE for the naive guess method was 1.4+/-3.0.

Recent advances in NLP have led to the creation of powerful language models for many languages including Ancient Greek and Latin. While prior work on Classical languages unanimously uses BERT, in this work we create four language models for Ancient Greek that vary along two dimensions to study their versatility for tasks of interest for Classical languages: we explore (i) encoder-only and encoder-decoder architectures using RoBERTa and T5 as strong model types, and create for each of them (ii) a monolingual Ancient Greek and a multilingual instance that includes Latin and English. We evaluate all models on morphological and syntactic tasks, including lemmatization, which demonstrates the added value of T5's decoding abilities. We further define two probing tasks to investigate the knowledge acquired by models pre-trained on Classical texts. Our experiments provide the first benchmarking analysis of existing models of Ancient Greek. Results show that our models provide significant improvements over the SoTA. The systematic analysis of model types can inform future research in designing language models for Classical languages, including the development of novel generative tasks. We make all our models available as community resources, along with a large curated pre-training corpus for Ancient Greek, to support the creation of a larger, comparable model zoo for Classical Philology. Our models and resources are available at https://github.com/Heidelberg-NLP/ancient-language-models.

Multi-objective optimization problems are ubiquitous in robotics, e.g., the optimization of a robot manipulation task requires a joint consideration of grasp pose configurations, collisions and joint limits. While some demands can be easily hand-designed, e.g., the smoothness of a trajectory, several task-specific objectives need to be learned from data. This work introduces a method for learning data-driven SE(3) cost functions as diffusion models. Diffusion models can represent highly-expressive multimodal distributions and exhibit proper gradients over the entire space due to their score-matching training objective. Learning costs as diffusion models allows their seamless integration with other costs into a single differentiable objective function, enabling joint gradient-based motion optimization. In this work, we focus on learning SE(3) diffusion models for 6DoF grasping, giving rise to a novel framework for joint grasp and motion optimization without needing to decouple grasp selection from trajectory generation. We evaluate the representation power of our SE(3) diffusion models w.r.t. classical generative models, and we showcase the superior performance of our proposed optimization framework in a series of simulated and real-world robotic manipulation tasks against representative baselines.

We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be seen as an extension of classical diffusion models to an infinite-dimensional domain. Functional diffusion is very versatile as images, videos, audio, 3D shapes, deformations, \etc, can be handled by the same framework with minimal changes. In addition, functional diffusion is especially suited for irregular data or data defined in non-standard domains. In our work, we derive the necessary foundations for functional diffusion and propose a first implementation based on the transformer architecture. We show generative results on complicated signed distance functions and deformation functions defined on 3D surfaces.

DETR-like models have significantly boosted the performance of detectors and even outperformed classical convolutional models. However, all tokens are treated equally without discrimination brings a redundant computational burden in the traditional encoder structure. The recent sparsification strategies exploit a subset of informative tokens to reduce attention complexity maintaining performance through the sparse encoder. But these methods tend to rely on unreliable model statistics. Moreover, simply reducing the token population hinders the detection performance to a large extent, limiting the application of these sparse models. We propose Focus-DETR, which focuses attention on more informative tokens for a better trade-off between computation efficiency and model accuracy. Specifically, we reconstruct the encoder with dual attention, which includes a token scoring mechanism that considers both localization and category semantic information of the objects from multi-scale feature maps. We efficiently abandon the background queries and enhance the semantic interaction of the fine-grained object queries based on the scores. Compared with the state-of-the-art sparse DETR-like detectors under the same setting, our Focus-DETR gets comparable complexity while achieving 50.4AP (+2.2) on COCO. The code is available at https://github.com/huawei-noah/noah-research/tree/master/Focus-DETR and https://gitee.com/mindspore/models/tree/master/research/cv/Focus-DETR.

Real-world last-mile delivery datasets are crucial for research in logistics, supply chain management, and spatio-temporal data mining. Despite a plethora of algorithms developed to date, no widely accepted, publicly available last-mile delivery dataset exists to support research in this field. In this paper, we introduce LaDe, the first publicly available last-mile delivery dataset with millions of packages from the industry. LaDe has three unique characteristics: (1) Large-scale. It involves 10,677k packages of 21k couriers over 6 months of real-world operation. (2) Comprehensive information. It offers original package information, such as its location and time requirements, as well as task-event information, which records when and where the courier is while events such as task-accept and task-finish events happen. (3) Diversity. The dataset includes data from various scenarios, including package pick-up and delivery, and from multiple cities, each with its unique spatio-temporal patterns due to their distinct characteristics such as populations. We verify LaDe on three tasks by running several classical baseline models per task. We believe that the large-scale, comprehensive, diverse feature of LaDe can offer unparalleled opportunities to researchers in the supply chain community, data mining community, and beyond. The dataset homepage is publicly available at https://huggingface.co/datasets/Cainiao-AI/LaDe.

Non-linear state-space models, also known as general hidden Markov models, are ubiquitous in statistical machine learning, being the most classical generative models for serial data and sequences in general. The particle-based, rapid incremental smoother PaRIS is a sequential Monte Carlo (SMC) technique allowing for efficient online approximation of expectations of additive functionals under the smoothing distribution in these models. Such expectations appear naturally in several learning contexts, such as likelihood estimation (MLE) and Markov score climbing (MSC). PARIS has linear computational complexity, limited memory requirements and comes with non-asymptotic bounds, convergence results and stability guarantees. Still, being based on self-normalised importance sampling, the PaRIS estimator is biased. Our first contribution is to design a novel additive smoothing algorithm, the Parisian particle Gibbs PPG sampler, which can be viewed as a PaRIS algorithm driven by conditional SMC moves, resulting in bias-reduced estimates of the targeted quantities. We substantiate the PPG algorithm with theoretical results, including new bounds on bias and variance as well as deviation inequalities. Our second contribution is to apply PPG in a learning framework, covering MLE and MSC as special examples. In this context, we establish, under standard assumptions, non-asymptotic bounds highlighting the value of bias reduction and the implicit Rao--Blackwellization of PPG. These are the first non-asymptotic results of this kind in this setting. We illustrate our theoretical results with numerical experiments supporting our claims.

In this paper, we have studied the performance and role of local optimizers in quantum variational circuits. We studied the performance of the two most popular optimizers and compared their results with some popular classical machine learning algorithms. The classical algorithms we used in our study are support vector machine (SVM), gradient boosting (GB), and random forest (RF). These were compared with a variational quantum classifier (VQC) using two sets of local optimizers viz AQGD and COBYLA. For experimenting with VQC, IBM Quantum Experience and IBM Qiskit was used while for classical machine learning models, sci-kit learn was used. The results show that machine learning on noisy immediate scale quantum machines can produce comparable results as on classical machines. For our experiments, we have used a popular restaurant sentiment analysis dataset. The extracted features from this dataset and then after applying PCA reduced the feature set into 5 features. Quantum ML models were trained using 100 epochs and 150 epochs on using EfficientSU2 variational circuit. Overall, four Quantum ML models were trained and three Classical ML models were trained. The performance of the trained models was evaluated using standard evaluation measures viz, Accuracy, Precision, Recall, F-Score. In all the cases AQGD optimizer-based model with 100 Epochs performed better than all other models. It produced an accuracy of 77% and an F-Score of 0.785 which were highest across all the trained models.

We introduce Chronos, a simple yet effective framework for pretrained probabilistic time series models. Chronos tokenizes time series values using scaling and quantization into a fixed vocabulary and trains existing transformer-based language model architectures on these tokenized time series via the cross-entropy loss. We pretrained Chronos models based on the T5 family (ranging from 20M to 710M parameters) on a large collection of publicly available datasets, complemented by a synthetic dataset that we generated via Gaussian processes to improve generalization. In a comprehensive benchmark consisting of 42 datasets, and comprising both classical local models and deep learning methods, we show that Chronos models: (a) significantly outperform other methods on datasets that were part of the training corpus; and (b) have comparable and occasionally superior zero-shot performance on new datasets, relative to methods that were trained specifically on them. Our results demonstrate that Chronos models can leverage time series data from diverse domains to improve zero-shot accuracy on unseen forecasting tasks, positioning pretrained models as a viable tool to greatly simplify forecasting pipelines.

Topic models are useful tools for discovering latent semantic structures in large textual corpora. Topic modeling historically relied on bag-of-words representations of language. This approach makes models sensitive to the presence of stop words and noise, and does not utilize potentially useful contextual information. Recent efforts have been oriented at incorporating contextual neural representations in topic modeling and have been shown to outperform classical topic models. These approaches are, however, typically slow, volatile and still require preprocessing for optimal results. We present Semantic Signal Separation (S^3), a theory-driven topic modeling approach in neural embedding spaces. S^3 conceptualizes topics as independent axes of semantic space, and uncovers these with blind-source separation. Our approach provides the most diverse, highly coherent topics, requires no preprocessing, and is demonstrated to be the fastest contextually sensitive topic model to date. We offer an implementation of S^3, among other approaches, in the Turftopic Python package.

This work studies training instabilities of behavior cloning with deep neural networks. We observe that minibatch SGD updates to the policy network during training result in sharp oscillations in long-horizon rewards, despite negligibly affecting the behavior cloning loss. We empirically disentangle the statistical and computational causes of these oscillations, and find them to stem from the chaotic propagation of minibatch SGD noise through unstable closed-loop dynamics. While SGD noise is benign in the single-step action prediction objective, it results in catastrophic error accumulation over long horizons, an effect we term gradient variance amplification (GVA). We show that many standard mitigation techniques do not alleviate GVA, but find an exponential moving average (EMA) of iterates to be surprisingly effective at doing so. We illustrate the generality of this phenomenon by showing the existence of GVA and its amelioration by EMA in both continuous control and autoregressive language generation. Finally, we provide theoretical vignettes that highlight the benefits of EMA in alleviating GVA and shed light on the extent to which classical convex models can help in understanding the benefits of iterate averaging in deep learning.

Quantum circuits -- built from local unitary gates and local measurements -- are a new playground for quantum many-body physics and a tractable setting to explore universal collective phenomena far-from-equilibrium. These models have shed light on longstanding questions about thermalization and chaos, and on the underlying universal dynamics of quantum information and entanglement. In addition, such models generate new sets of questions and give rise to phenomena with no traditional analog, such as new dynamical phases in quantum systems that are monitored by an external observer. Quantum circuit dynamics is also topical in view of experimental progress in building digital quantum simulators that allow control of precisely these ingredients. Randomness in the circuit elements allows a high level of theoretical control, with a key theme being mappings between real-time quantum dynamics and effective classical lattice models or dynamical processes. Many of the universal phenomena that can be identified in this tractable setting apply to much wider classes of more structured many-body dynamics.

Although convolutional networks have been the dominant architecture for vision tasks for many years, recent experiments have shown that Transformer-based models, most notably the Vision Transformer (ViT), may exceed their performance in some settings. However, due to the quadratic runtime of the self-attention layers in Transformers, ViTs require the use of patch embeddings, which group together small regions of the image into single input features, in order to be applied to larger image sizes. This raises a question: Is the performance of ViTs due to the inherently-more-powerful Transformer architecture, or is it at least partly due to using patches as the input representation? In this paper, we present some evidence for the latter: specifically, we propose the ConvMixer, an extremely simple model that is similar in spirit to the ViT and the even-more-basic MLP-Mixer in that it operates directly on patches as input, separates the mixing of spatial and channel dimensions, and maintains equal size and resolution throughout the network. In contrast, however, the ConvMixer uses only standard convolutions to achieve the mixing steps. Despite its simplicity, we show that the ConvMixer outperforms the ViT, MLP-Mixer, and some of their variants for similar parameter counts and data set sizes, in addition to outperforming classical vision models such as the ResNet. Our code is available at https://github.com/locuslab/convmixer.

Background: This study aimed to evaluate and compare the performance of classical machine learning models (CMLs) and large language models (LLMs) in predicting mortality associated with COVID-19 by utilizing a high-dimensional tabular dataset. Materials and Methods: We analyzed data from 9,134 COVID-19 patients collected across four hospitals. Seven CML models, including XGBoost and random forest (RF), were trained and evaluated. The structured data was converted into text for zero-shot classification by eight LLMs, including GPT-4 and Mistral-7b. Additionally, Mistral-7b was fine-tuned using the QLoRA approach to enhance its predictive capabilities. Results: Among the CML models, XGBoost and RF achieved the highest accuracy, with F1 scores of 0.87 for internal validation and 0.83 for external validation. In the LLM category, GPT-4 was the top performer with an F1 score of 0.43. Fine-tuning Mistral-7b significantly improved its recall from 1% to 79%, resulting in an F1 score of 0.74, which was stable during external validation. Conclusion: While LLMs show moderate performance in zero-shot classification, fine-tuning can significantly enhance their effectiveness, potentially aligning them closer to CML models. However, CMLs still outperform LLMs in high-dimensional tabular data tasks.

Recent advancements in Large Language Models have sparked interest in their potential for robotic task planning. While these models demonstrate strong generative capabilities, their effectiveness in producing structured and executable plans remains uncertain. This paper presents a systematic evaluation of a broad spectrum of current state of the art language models, each directly prompted using Planning Domain Definition Language domain and problem files, and compares their planning performance with the Fast Downward planner across a variety of benchmarks. In addition to measuring success rates, we assess how faithfully the generated plans translate into sequences of actions that can actually be executed, identifying both strengths and limitations of using these models in this setting. Our findings show that while the models perform well on simpler planning tasks, they continue to struggle with more complex scenarios that require precise resource management, consistent state tracking, and strict constraint compliance. These results underscore fundamental challenges in applying language models to robotic planning in real world environments. By outlining the gaps that emerge during execution, we aim to guide future research toward combined approaches that integrate language models with classical planners in order to enhance the reliability and scalability of planning in autonomous robotics.

De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application areas, models for molecular design based on neural networks appeared recently and show promising results. However, the new models have not been profiled on consistent tasks, and comparative studies to well-established algorithms have only seldom been performed. To standardize the assessment of both classical and neural models for de novo molecular design, we propose an evaluation framework, GuacaMol, based on a suite of standardized benchmarks. The benchmark tasks encompass measuring the fidelity of the models to reproduce the property distribution of the training sets, the ability to generate novel molecules, the exploration and exploitation of chemical space, and a variety of single and multi-objective optimization tasks. The benchmarking open-source Python code, and a leaderboard can be found on https://benevolent.ai/guacamol

Large language models (LLMs) have demonstrated remarkable zero-shot generalization abilities: state-of-the-art chatbots can provide plausible answers to many common questions that arise in daily life. However, so far, LLMs cannot reliably solve long-horizon planning problems. By contrast, classical planners, once a problem is given in a formatted way, can use efficient search algorithms to quickly identify correct, or even optimal, plans. In an effort to get the best of both worlds, this paper introduces LLM+P, the first framework that incorporates the strengths of classical planners into LLMs. LLM+P takes in a natural language description of a planning problem, then returns a correct (or optimal) plan for solving that problem in natural language. LLM+P does so by first converting the language description into a file written in the planning domain definition language (PDDL), then leveraging classical planners to quickly find a solution, and then translating the found solution back into natural language. Along with LLM+P, we define a diverse set of different benchmark problems taken from common planning scenarios. Via a comprehensive set of experiments on these benchmark problems, we find that LLM+P is able to provide optimal solutions for most problems, while LLMs fail to provide even feasible plans for most problems.\footnote{The code and results are publicly available at https://github.com/Cranial-XIX/llm-pddl.git.

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

Existing neural ranking models follow the text matching paradigm, where document-to-query relevance is estimated through predicting the matching score. Drawing from the rich literature of classical generative retrieval models, we introduce and formalize the paradigm of deep generative retrieval models defined via the cumulative probabilities of generating query terms. This paradigm offers a grounded probabilistic view on relevance estimation while still enabling the use of modern neural architectures. In contrast to the matching paradigm, the probabilistic nature of generative rankers readily offers a fine-grained measure of uncertainty. We adopt several current neural generative models in our framework and introduce a novel generative ranker (T-PGN), which combines the encoding capacity of Transformers with the Pointer Generator Network model. We conduct an extensive set of evaluation experiments on passage retrieval, leveraging the MS MARCO Passage Re-ranking and TREC Deep Learning 2019 Passage Re-ranking collections. Our results show the significantly higher performance of the T-PGN model when compared with other generative models. Lastly, we demonstrate that exploiting the uncertainty information of deep generative rankers opens new perspectives to query/collection understanding, and significantly improves the cut-off prediction task.

Multi-stage ranking pipelines have been a practical solution in modern search systems, where the first-stage retrieval is to return a subset of candidate documents, and latter stages attempt to re-rank those candidates. Unlike re-ranking stages going through quick technique shifts during past decades, the first-stage retrieval has long been dominated by classical term-based models. Unfortunately, these models suffer from the vocabulary mismatch problem, which may block re-ranking stages from relevant documents at the very beginning. Therefore, it has been a long-term desire to build semantic models for the first-stage retrieval that can achieve high recall efficiently. Recently, we have witnessed an explosive growth of research interests on the first-stage semantic retrieval models. We believe it is the right time to survey current status, learn from existing methods, and gain some insights for future development. In this paper, we describe the current landscape of the first-stage retrieval models under a unified framework to clarify the connection between classical term-based retrieval methods, early semantic retrieval methods and neural semantic retrieval methods. Moreover, we identify some open challenges and envision some future directions, with the hope of inspiring more researches on these important yet less investigated topics.

The emergence of hybrid quantum-classical machine learning (HQML) models opens new horizons of computational intelligence but their fundamental complexity frequently leads to black box behavior that undermines transparency and reliability in their application. Although XAI for quantum systems still in its infancy, a major research gap is evident in robust global and local explainability approaches that are designed for HQML architectures that employ quantized feature encoding followed by classical learning. The gap is the focus of this work, which introduces QuXAI, an framework based upon Q-MEDLEY, an explainer for explaining feature importance in these hybrid systems. Our model entails the creation of HQML models incorporating quantum feature maps, the use of Q-MEDLEY, which combines feature based inferences, preserving the quantum transformation stage and visualizing the resulting attributions. Our result shows that Q-MEDLEY delineates influential classical aspects in HQML models, as well as separates their noise, and competes well against established XAI techniques in classical validation settings. Ablation studies more significantly expose the virtues of the composite structure used in Q-MEDLEY. The implications of this work are critically important, as it provides a route to improve the interpretability and reliability of HQML models, thus promoting greater confidence and being able to engage in safer and more responsible use of quantum-enhanced AI technology.

Deep learning has been actively applied to time series forecasting, leading to a deluge of new methods, belonging to the class of historical-value models. Yet, despite the attractive properties of time-index models, such as being able to model the continuous nature of underlying time series dynamics, little attention has been given to them. Indeed, while naive deep time-index models are far more expressive than the manually predefined function representations of classical time-index models, they are inadequate for forecasting, being unable to generalize to unseen time steps due to the lack of inductive bias. In this paper, we propose DeepTime, a meta-optimization framework to learn deep time-index models which overcome these limitations, yielding an efficient and accurate forecasting model. Extensive experiments on real world datasets in the long sequence time-series forecasting setting demonstrate that our approach achieves competitive results with state-of-the-art methods, and is highly efficient. Code is available at https://github.com/salesforce/DeepTime.

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been rapidly applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper,we establish a comprehensive benchmark containing 8 practical chemistry tasks, including 1) name prediction, 2) property prediction, 3) yield prediction, 4) reaction prediction, 5) retrosynthesis (prediction of reactants from products), 6)text-based molecule design, 7) molecule captioning, and 8) reagent selection. Our analysis draws on widely recognized datasets including BBBP, Tox21, PubChem, USPTO, and ChEBI, facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Three GPT models (GPT-4, GPT-3.5,and Davinci-003) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. The key results of our investigation are 1) GPT-4 outperforms the other two models among the three evaluated; 2) GPT models exhibit less competitive performance in tasks demanding precise understanding of molecular SMILES representation, such as reaction prediction and retrosynthesis;3) GPT models demonstrate strong capabilities in text-related explanation tasks such as molecule captioning; and 4) GPT models exhibit comparable or better performance to classical machine learning models when applied to chemical problems that can be transformed into classification or ranking tasks, such as property prediction, and yield prediction.

Classical machine learning models such as deep neural networks are usually trained by using Stochastic Gradient Descent-based (SGD) algorithms. The classical SGD can be interpreted as a discretization of the stochastic gradient flow. In this paper we propose a novel, robust and accelerated stochastic optimizer that relies on two key elements: (1) an accelerated Nesterov-like Stochastic Differential Equation (SDE) and (2) its semi-implicit Gauss-Seidel type discretization. The convergence and stability of the obtained method, referred to as NAG-GS, are first studied extensively in the case of the minimization of a quadratic function. This analysis allows us to come up with an optimal learning rate in terms of the convergence rate while ensuring the stability of NAG-GS. This is achieved by the careful analysis of the spectral radius of the iteration matrix and the covariance matrix at stationarity with respect to all hyperparameters of our method. Further, we show that NAG- GS is competitive with state-of-the-art methods such as momentum SGD with weight decay and AdamW for the training of machine learning models such as the logistic regression model, the residual networks models on standard computer vision datasets, Transformers in the frame of the GLUE benchmark and the recent Vision Transformers.

Recent advances in multimodal large language models (MLLMs) have demonstrated impressive results in various visual tasks. However, in remote sensing (RS), high resolution and small proportion of objects pose challenges to existing MLLMs, which struggle with object-centric tasks, particularly in precise localization and fine-grained attribute description for each object. These RS MLLMs have not yet surpassed classical visual perception models, as they only provide coarse image understanding, leading to limited gains in real-world scenarios. To address this gap, we establish EagleVision, an MLLM tailored for remote sensing that excels in object detection and attribute comprehension. Equipped with the Attribute Disentangle module, EagleVision learns disentanglement vision tokens to express distinct attributes. To support object-level visual-language alignment, we construct EVAttrs-95K, the first large-scale object attribute understanding dataset in RS for instruction tuning, along with a novel evaluation benchmark, EVBench. EagleVision achieves state-of-the-art performance on both fine-grained object detection and object attribute understanding tasks, highlighting the mutual promotion between detection and understanding capabilities in MLLMs. The code, model, data, and demo will be available at https://github.com/XiangTodayEatsWhat/EagleVision.

Breakthroughs in machine learning (ML) and advances in quantum computing (QC) drive the interdisciplinary field of quantum machine learning to new levels. However, due to the susceptibility of ML models to adversarial attacks, practical use raises safety-critical concerns. Existing Randomized Smoothing (RS) certification methods for classical machine learning models are computationally intensive. In this paper, we propose the combination of QC and the concept of discrete randomized smoothing to speed up the stochastic certification of ML models for discrete data. We show how to encode all the perturbations of the input binary data in superposition and use Quantum Amplitude Estimation (QAE) to obtain a quadratic reduction in the number of calls to the model that are required compared to traditional randomized smoothing techniques. In addition, we propose a new binary threat model to allow for an extensive evaluation of our approach on images, graphs, and text.

Language models trained on internet-scale data sets have shown an impressive ability to solve problems in Natural Language Processing and Computer Vision. However, experience is showing that these models are frequently brittle in unexpected ways, and require significant scaffolding to ensure that they operate correctly in the larger systems that comprise "language-model agents." In this paper, we argue that behavior trees provide a unifying framework for combining language models with classical AI and traditional programming. We introduce Dendron, a Python library for programming language model agents using behavior trees. We demonstrate the approach embodied by Dendron in three case studies: building a chat agent, a camera-based infrastructure inspection agent for use on a mobile robot or vehicle, and an agent that has been built to satisfy safety constraints that it did not receive through instruction tuning or RLHF.

African languages are severely under-represented in NLP research due to lack of datasets covering several NLP tasks. While there are individual language specific datasets that are being expanded to different tasks, only a handful of NLP tasks (e.g. named entity recognition and machine translation) have standardized benchmark datasets covering several geographical and typologically-diverse African languages. In this paper, we develop MasakhaNEWS -- a new benchmark dataset for news topic classification covering 16 languages widely spoken in Africa. We provide an evaluation of baseline models by training classical machine learning models and fine-tuning several language models. Furthermore, we explore several alternatives to full fine-tuning of language models that are better suited for zero-shot and few-shot learning such as cross-lingual parameter-efficient fine-tuning (like MAD-X), pattern exploiting training (PET), prompting language models (like ChatGPT), and prompt-free sentence transformer fine-tuning (SetFit and Cohere Embedding API). Our evaluation in zero-shot setting shows the potential of prompting ChatGPT for news topic classification in low-resource African languages, achieving an average performance of 70 F1 points without leveraging additional supervision like MAD-X. In few-shot setting, we show that with as little as 10 examples per label, we achieved more than 90\% (i.e. 86.0 F1 points) of the performance of full supervised training (92.6 F1 points) leveraging the PET approach.

Accurate stock market predictions following earnings reports are crucial for investors. Traditional methods, particularly classical machine learning models, struggle with these predictions because they cannot effectively process and interpret extensive textual data contained in earnings reports and often overlook nuances that influence market movements. This paper introduces an advanced approach by employing Large Language Models (LLMs) instruction fine-tuned with a novel combination of instruction-based techniques and quantized low-rank adaptation (QLoRA) compression. Our methodology integrates 'base factors', such as financial metric growth and earnings transcripts, with 'external factors', including recent market indices performances and analyst grades, to create a rich, supervised dataset. This comprehensive dataset enables our models to achieve superior predictive performance in terms of accuracy, weighted F1, and Matthews correlation coefficient (MCC), especially evident in the comparison with benchmarks such as GPT-4. We specifically highlight the efficacy of the llama-3-8b-Instruct-4bit model, which showcases significant improvements over baseline models. The paper also discusses the potential of expanding the output capabilities to include a 'Hold' option and extending the prediction horizon, aiming to accommodate various investment styles and time frames. This study not only demonstrates the power of integrating cutting-edge AI with fine-tuned financial data but also paves the way for future research in enhancing AI-driven financial analysis tools.

Face morphing is a problem in computer graphics with numerous artistic and forensic applications. It is challenging due to variations in pose, lighting, gender, and ethnicity. This task consists of a warping for feature alignment and a blending for a seamless transition between the warped images. We propose to leverage coord-based neural networks to represent such warpings and blendings of face images. During training, we exploit the smoothness and flexibility of such networks by combining energy functionals employed in classical approaches without discretizations. Additionally, our method is time-dependent, allowing a continuous warping/blending of the images. During morphing inference, we need both direct and inverse transformations of the time-dependent warping. The first (second) is responsible for warping the target (source) image into the source (target) image. Our neural warping stores those maps in a single network dismissing the need for inverting them. The results of our experiments indicate that our method is competitive with both classical and generative models under the lens of image quality and face-morphing detectors. Aesthetically, the resulting images present a seamless blending of diverse faces not yet usual in the literature.

Time-series reasoning remains a significant challenge in multimodal large language models (MLLMs) due to the dynamic temporal patterns, ambiguous semantics, and lack of temporal priors. In this work, we introduce TimeMaster, a reinforcement learning (RL)-based method that enables time-series MLLMs to perform structured, interpretable reasoning directly over visualized time-series inputs and task prompts. TimeMaster adopts a three-part structured output format, reasoning, classification, and domain-specific extension, and is optimized via a composite reward function that aligns format adherence, prediction accuracy, and open-ended insight quality. The model is trained using a two-stage pipeline: we first apply supervised fine-tuning (SFT) to establish a good initialization, followed by Group Relative Policy Optimization (GRPO) at the token level to enable stable and targeted reward-driven improvement in time-series reasoning. We evaluate TimeMaster on the TimerBed benchmark across six real-world classification tasks based on Qwen2.5-VL-3B-Instruct. TimeMaster achieves state-of-the-art performance, outperforming both classical time-series models and few-shot GPT-4o by over 14.6% and 7.3% performance gain, respectively. Notably, TimeMaster goes beyond time-series classification: it also exhibits expert-like reasoning behavior, generates context-aware explanations, and delivers domain-aligned insights. Our results highlight that reward-driven RL can be a scalable and promising path toward integrating temporal understanding into time-series MLLMs.

Deep learning, as a vital technique, has sparked a notable revolution in artificial intelligence. As the most representative architecture, Transformers have empowered numerous advanced models, especially the large language models that comprise billions of parameters, becoming a cornerstone in deep learning. Despite the impressive achievements, Transformers still face inherent limitations, particularly the time-consuming inference resulting from the quadratic computation complexity of attention calculation. Recently, a novel architecture named Mamba, drawing inspiration from classical state space models, has emerged as a promising alternative for building foundation models, delivering comparable modeling abilities to Transformers while preserving near-linear scalability concerning sequence length. This has sparked an increasing number of studies actively exploring Mamba's potential to achieve impressive performance across diverse domains. Given such rapid evolution, there is a critical need for a systematic review that consolidates existing Mamba-empowered models, offering a comprehensive understanding of this emerging model architecture. In this survey, we therefore conduct an in-depth investigation of recent Mamba-associated studies, covering from three main aspects: the advancements of Mamba-based models, the techniques of adapting Mamba to diverse data, and the applications where Mamba can excel. Specifically, we first recall the foundational knowledge of various representative deep learning models and the details of Mamba as preliminaries. Then, to showcase the significance of Mamba, we comprehensively review the related studies focusing on Mamba models' architecture design, data adaptability, and applications. Finally, we present an discussion of current limitations and explore various promising research directions to provide deeper insights for future investigations.

We present a neuro-symbolic (NeSy) workflow combining a symbolic-based learning technique with a large language model (LLM) agent to generate synthetic data for code comment classification in the C programming language. We also show how generating controlled synthetic data using this workflow fixes some of the notable weaknesses of LLM-based generation and increases the performance of classical machine learning models on the code comment classification task. Our best model, a Neural Network, achieves a Macro-F1 score of 91.412% with an increase of 1.033% after data augmentation.

We introduce 3D Gaussian blendshapes for modeling photorealistic head avatars. Taking a monocular video as input, we learn a base head model of neutral expression, along with a group of expression blendshapes, each of which corresponds to a basis expression in classical parametric face models. Both the neutral model and expression blendshapes are represented as 3D Gaussians, which contain a few properties to depict the avatar appearance. The avatar model of an arbitrary expression can be effectively generated by combining the neutral model and expression blendshapes through linear blending of Gaussians with the expression coefficients. High-fidelity head avatar animations can be synthesized in real time using Gaussian splatting. Compared to state-of-the-art methods, our Gaussian blendshape representation better captures high-frequency details exhibited in input video, and achieves superior rendering performance.

In this study, we systematically investigate the impact of class imbalance on classification performance of convolutional neural networks (CNNs) and compare frequently used methods to address the issue. Class imbalance is a common problem that has been comprehensively studied in classical machine learning, yet very limited systematic research is available in the context of deep learning. In our study, we use three benchmark datasets of increasing complexity, MNIST, CIFAR-10 and ImageNet, to investigate the effects of imbalance on classification and perform an extensive comparison of several methods to address the issue: oversampling, undersampling, two-phase training, and thresholding that compensates for prior class probabilities. Our main evaluation metric is area under the receiver operating characteristic curve (ROC AUC) adjusted to multi-class tasks since overall accuracy metric is associated with notable difficulties in the context of imbalanced data. Based on results from our experiments we conclude that (i) the effect of class imbalance on classification performance is detrimental; (ii) the method of addressing class imbalance that emerged as dominant in almost all analyzed scenarios was oversampling; (iii) oversampling should be applied to the level that completely eliminates the imbalance, whereas the optimal undersampling ratio depends on the extent of imbalance; (iv) as opposed to some classical machine learning models, oversampling does not cause overfitting of CNNs; (v) thresholding should be applied to compensate for prior class probabilities when overall number of properly classified cases is of interest.

Recent studies in natural language processing (NLP) have focused on modern languages and achieved state-of-the-art results in many tasks. Meanwhile, little attention has been paid to ancient texts and related tasks. Classical Chinese first came to Japan approximately 2,000 years ago. It was gradually adapted to a Japanese form called Kanbun-Kundoku (Kanbun) in Japanese reading and translating methods, which has significantly impacted Japanese literature. However, compared to the rich resources for ancient texts in mainland China, Kanbun resources remain scarce in Japan. To solve this problem, we construct the first Classical-Chinese-to-Kanbun dataset in the world. Furthermore, we introduce two tasks, character reordering and machine translation, both of which play a significant role in Kanbun comprehension. We also test the current language models on these tasks and discuss the best evaluation method by comparing the results with human scores. We release our code and dataset on GitHub.

Artificial Intelligence (AI), with its multiplier effect and wide applications in multiple areas, could potentially be an important application of quantum computing. Since modern AI systems are often built on neural networks, the design of quantum neural networks becomes a key challenge in integrating quantum computing into AI. To provide a more fine-grained characterisation of the impact of quantum components on the performance of neural networks, we propose a framework where classical neural network layers are gradually replaced by quantum layers that have the same type of input and output while keeping the flow of information between layers unchanged, different from most current research in quantum neural network, which favours an end-to-end quantum model. We start with a simple three-layer classical neural network without any normalisation layers or activation functions, and gradually change the classical layers to the corresponding quantum versions. We conduct numerical experiments on image classification datasets such as the MNIST, FashionMNIST and CIFAR-10 datasets to demonstrate the change of performance brought by the systematic introduction of quantum components. Through this framework, our research sheds new light on the design of future quantum neural network models where it could be more favourable to search for methods and frameworks that harness the advantages from both the classical and quantum worlds.

Generating synthetic data that faithfully captures the statistical structure of real-world distributions is a fundamental challenge in data modeling. Classical approaches often depend on strong parametric assumptions or manual structural design and struggle in high-dimensional or heterogeneous domains. Recent progress in Large Language Models (LLMs) reveals their potential as flexible, high-dimensional priors over real-world distributions. However, when applied to data synthesis, standard LLM-based sampling is inefficient, constrained by fixed context limits, and fails to ensure statistical alignment. Given this, we introduce LLMSynthor, a general framework for data synthesis that transforms LLMs into structure-aware simulators guided by distributional feedback. LLMSynthor treats the LLM as a nonparametric copula simulator for modeling high-order dependencies and introduces LLM Proposal Sampling to generate grounded proposal distributions that improve sampling efficiency without requiring rejection. By minimizing discrepancies in the summary statistics space, the iterative synthesis loop aligns real and synthetic data while gradually uncovering and refining the latent generative structure. We evaluate LLMSynthor in both controlled and real-world settings using heterogeneous datasets in privacy-sensitive domains (e.g., e-commerce, population, and mobility) that encompass both structured and unstructured formats. The synthetic data produced by LLMSynthor shows high statistical fidelity, practical utility, and cross-data adaptability, positioning it as a valuable tool across economics, social science, urban studies, and beyond.

Testing is an integral part of the software development process. Yet, writing tests is time-consuming and therefore often neglected. Classical test generation tools such as EvoSuite generate behavioral test suites by optimizing for coverage, but tend to produce tests that are hard to understand. Language models trained on code can generate code that is highly similar to that written by humans, but current models are trained to generate each file separately, as is standard practice in natural language processing, and thus fail to consider the code-under-test context when producing a test file. In this work, we propose the Aligned Code And Tests Language Model (CAT-LM), a GPT-style language model with 2.7 Billion parameters, trained on a corpus of Python and Java projects. We utilize a novel pretraining signal that explicitly considers the mapping between code and test files when available. We also drastically increase the maximum sequence length of inputs to 8,192 tokens, 4x more than typical code generation models, to ensure that the code context is available to the model when generating test code. We analyze its usefulness for realistic applications, showing that sampling with filtering (e.g., by compilability, coverage) allows it to efficiently produce tests that achieve coverage similar to ones written by developers while resembling their writing style. By utilizing the code context, CAT-LM generates more valid tests than even much larger language models trained with more data (CodeGen 16B and StarCoder) and substantially outperforms a recent test-specific model (TeCo) at test completion. Overall, our work highlights the importance of incorporating software-specific insights when training language models for code and paves the way to more powerful automated test generation.

On-board processing of hyperspectral data with machine learning models would enable unprecedented amount of autonomy for a wide range of tasks, for example methane detection or mineral identification. This can enable early warning system and could allow new capabilities such as automated scheduling across constellations of satellites. Classical methods suffer from high false positive rates and previous deep learning models exhibit prohibitive computational requirements. We propose fast and accurate machine learning architectures which support end-to-end training with data of high spectral dimension without relying on hand-crafted products or spectral band compression preprocessing. We evaluate our models on two tasks related to hyperspectral data processing. With our proposed general architectures, we improve the F1 score of the previous methane detection state-of-the-art models by 27% on a newly created synthetic dataset and by 13% on the previously released large benchmark dataset. We also demonstrate that training models on the synthetic dataset improves performance of models finetuned on the dataset of real events by 6.9% in F1 score in contrast with training from scratch. On a newly created dataset for mineral identification, our models provide 3.5% improvement in the F1 score in contrast to the default versions of the models. With our proposed models we improve the inference speed by 85% in contrast to previous classical and deep learning approaches by removing the dependency on classically computed features. With our architecture, one capture from the EMIT sensor can be processed within 30 seconds on realistic proxy of the ION-SCV 004 satellite.

At present, Text-to-speech (TTS) systems that are trained with high-quality transcribed speech data using end-to-end neural models can generate speech that is intelligible, natural, and closely resembles human speech. These models are trained with relatively large single-speaker professionally recorded audio, typically extracted from audiobooks. Meanwhile, due to the scarcity of freely available speech corpora of this kind, a larger gap exists in Arabic TTS research and development. Most of the existing freely available Arabic speech corpora are not suitable for TTS training as they contain multi-speaker casual speech with variations in recording conditions and quality, whereas the corpus curated for speech synthesis are generally small in size and not suitable for training state-of-the-art end-to-end models. In a move towards filling this gap in resources, we present a speech corpus for Classical Arabic Text-to-Speech (ClArTTS) to support the development of end-to-end TTS systems for Arabic. The speech is extracted from a LibriVox audiobook, which is then processed, segmented, and manually transcribed and annotated. The final ClArTTS corpus contains about 12 hours of speech from a single male speaker sampled at 40100 kHz. In this paper, we describe the process of corpus creation and provide details of corpus statistics and a comparison with existing resources. Furthermore, we develop two TTS systems based on Grad-TTS and Glow-TTS and illustrate the performance of the resulting systems via subjective and objective evaluations. The corpus will be made publicly available at www.clartts.com for research purposes, along with the baseline TTS systems demo.

Reasoning from sequences of raw sensory data is a ubiquitous problem across fields ranging from medical devices to robotics. These problems often involve using long sequences of raw sensor data (e.g. magnetometers, piezoresistors) to predict sequences of desirable physical quantities (e.g. force, inertial measurements). While classical approaches are powerful for locally-linear prediction problems, they often fall short when using real-world sensors. These sensors are typically non-linear, are affected by extraneous variables (e.g. vibration), and exhibit data-dependent drift. For many problems, the prediction task is exacerbated by small labeled datasets since obtaining ground-truth labels requires expensive equipment. In this work, we present Hierarchical State-Space Models (HiSS), a conceptually simple, new technique for continuous sequential prediction. HiSS stacks structured state-space models on top of each other to create a temporal hierarchy. Across six real-world sensor datasets, from tactile-based state prediction to accelerometer-based inertial measurement, HiSS outperforms state-of-the-art sequence models such as causal Transformers, LSTMs, S4, and Mamba by at least 23% on MSE. Our experiments further indicate that HiSS demonstrates efficient scaling to smaller datasets and is compatible with existing data-filtering techniques. Code, datasets and videos can be found on https://hiss-csp.github.io.

Exceptional text-to-image (T2I) generation results of Stable Diffusion models (SDMs) come with substantial computational demands. To resolve this issue, recent research on efficient SDMs has prioritized reducing the number of sampling steps and utilizing network quantization. Orthogonal to these directions, this study highlights the power of classical architectural compression for general-purpose T2I synthesis by introducing block-removed knowledge-distilled SDMs (BK-SDMs). We eliminate several residual and attention blocks from the U-Net of SDMs, obtaining over a 30% reduction in the number of parameters, MACs per sampling step, and latency. We conduct distillation-based pretraining with only 0.22M LAION pairs (fewer than 0.1% of the full training pairs) on a single A100 GPU. Despite being trained with limited resources, our compact models can imitate the original SDM by benefiting from transferred knowledge and achieve competitive results against larger multi-billion parameter models on the zero-shot MS-COCO benchmark. Moreover, we demonstrate the applicability of our lightweight pretrained models in personalized generation with DreamBooth finetuning.

While large language models (LMs) have shown remarkable capabilities across numerous tasks, they often struggle with simple reasoning and planning in physical environments, such as understanding object permanence or planning household activities. The limitation arises from the fact that LMs are trained only on written text and miss essential embodied knowledge and skills. In this paper, we propose a new paradigm of enhancing LMs by finetuning them with world models, to gain diverse embodied knowledge while retaining their general language capabilities. Our approach deploys an embodied agent in a world model, particularly a simulator of the physical world (VirtualHome), and acquires a diverse set of embodied experiences through both goal-oriented planning and random exploration. These experiences are then used to finetune LMs to teach diverse abilities of reasoning and acting in the physical world, e.g., planning and completing goals, object permanence and tracking, etc. Moreover, it is desirable to preserve the generality of LMs during finetuning, which facilitates generalizing the embodied knowledge across tasks rather than being tied to specific simulations. We thus further introduce the classical elastic weight consolidation (EWC) for selective weight updates, combined with low-rank adapters (LoRA) for training efficiency. Extensive experiments show our approach substantially improves base LMs on 18 downstream tasks by 64.28% on average. In particular, the small LMs (1.3B and 6B) enhanced by our approach match or even outperform much larger LMs (e.g., ChatGPT).

By conditioning on natural language instructions, large language models (LLMs) have displayed impressive capabilities as general-purpose computers. However, task performance depends significantly on the quality of the prompt used to steer the model, and most effective prompts have been handcrafted by humans. Inspired by classical program synthesis and the human approach to prompt engineering, we propose Automatic Prompt Engineer (APE) for automatic instruction generation and selection. In our method, we treat the instruction as the "program," optimized by searching over a pool of instruction candidates proposed by an LLM in order to maximize a chosen score function. To evaluate the quality of the selected instruction, we evaluate the zero-shot performance of another LLM following the selected instruction. Experiments on 24 NLP tasks show that our automatically generated instructions outperform the prior LLM baseline by a large margin and achieve better or comparable performance to the instructions generated by human annotators on 19/24 tasks. We conduct extensive qualitative and quantitative analyses to explore the performance of APE. We show that APE-engineered prompts can be applied to steer models toward truthfulness and/or informativeness, as well as to improve few-shot learning performance by simply prepending them to standard in-context learning prompts. Please check out our webpage at https://sites.google.com/view/automatic-prompt-engineer.

Automatic Chinese classical poetry generation has attracted much research interest, but achieving effective control over format and content simultaneously remains challenging. Traditional systems usually accept keywords as user inputs, resulting in limited control over content. Large language models (LLMs) improve content control by allowing unrestricted user instructions, but the token-by-token generation process frequently makes format errors. Motivated by this, we propose CharPoet, a Chinese classical poetry generation system based on token-free LLM, which provides effective control over both format and content. Our token-free architecture generates in a character-by-character manner, enabling precise control over the number of characters. Pruned from existing token-based LLMs, CharPoet inherits their pretrained capabilities and can generate poetry following instructions like "Write me a poem for my mother's birthday." CharPoet achieves format accuracy above 0.96, outperforming Jiuge-GPT-2 (0.91) and GPT-4 (0.38). In terms of content quality, CharPoet surpasses traditional systems including Jiuge, and is comparable to other LLMs. Our system is open source and available at https://modelscope.cn/models/CharPoet/CharPoet. A video demonstration of CharPoet is available at https://youtu.be/voZ25qEp3Dc.

Digital Surface Models (DSM) offer a wealth of height information for understanding the Earth's surface as well as monitoring the existence or change in natural and man-made structures. Classical height estimation requires multi-view geospatial imagery or LiDAR point clouds which can be expensive to acquire. Single-view height estimation using neural network based models shows promise however it can struggle with reconstructing high resolution features. The latest advancements in diffusion models for high resolution image synthesis and editing have yet to be utilized for remote sensing imagery, particularly height estimation. Our approach involves training a generative diffusion model to learn the joint distribution of optical and DSM images across both domains as a Markov chain. This is accomplished by minimizing a denoising score matching objective while being conditioned on the source image to generate realistic high resolution 3D surfaces. In this paper we experiment with conditional denoising diffusion probabilistic models (DDPM) for height estimation from a single remotely sensed image and show promising results on the Vaihingen benchmark dataset.

From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Contextual language models have been trained on Classical languages, including Ancient Greek and Latin, for tasks such as lemmatization, morphological tagging, part of speech tagging, authorship attribution, and detection of scribal errors. However, high-quality sentence embedding models for these historical languages are significantly more difficult to achieve due to the lack of training data. In this work, we use a multilingual knowledge distillation approach to train BERT models to produce sentence embeddings for Ancient Greek text. The state-of-the-art sentence embedding approaches for high-resource languages use massive datasets, but our distillation approach allows our Ancient Greek models to inherit the properties of these models while using a relatively small amount of translated sentence data. We build a parallel sentence dataset using a sentence-embedding alignment method to align Ancient Greek documents with English translations, and use this dataset to train our models. We evaluate our models on translation search, semantic similarity, and semantic retrieval tasks and investigate translation bias. We make our training and evaluation datasets freely available at https://github.com/kevinkrahn/ancient-greek-datasets .

Even for a conservative estimate, 80% of enterprise data reside in unstructured files, stored in data lakes that accommodate heterogeneous formats. Classical search engines can no longer meet information seeking needs, especially when the task is to browse and explore for insight formulation. In other words, there are no obvious search keywords to use. Knowledge graphs, due to their natural visual appeals that reduce the human cognitive load, become the winning candidate for heterogeneous data integration and knowledge representation. In this paper, we introduce Docs2KG, a novel framework designed to extract multimodal information from diverse and heterogeneous unstructured documents, including emails, web pages, PDF files, and Excel files. Dynamically generates a unified knowledge graph that represents the extracted key information, Docs2KG enables efficient querying and exploration of document data lakes. Unlike existing approaches that focus on domain-specific data sources or pre-designed schemas, Docs2KG offers a flexible and extensible solution that can adapt to various document structures and content types. The proposed framework unifies data processing supporting a multitude of downstream tasks with improved domain interpretability. Docs2KG is publicly accessible at https://docs2kg.ai4wa.com, and a demonstration video is available at https://docs2kg.ai4wa.com/Video.

The emerging field of Diverse Intelligence seeks to identify, formalize, and understand commonalities in behavioral competencies across a wide range of implementations. Especially interesting are simple systems that provide unexpected examples of memory, decision-making, or problem-solving in substrates that at first glance do not appear to be complex enough to implement such capabilities. We seek to develop tools to help understand the minimal requirements for such capabilities, and to learn to recognize and predict basal forms of intelligence in unconventional substrates. Here, we apply novel analyses to the behavior of classical sorting algorithms, short pieces of code which have been studied for many decades. To study these sorting algorithms as a model of biological morphogenesis and its competencies, we break two formerly-ubiquitous assumptions: top-down control (instead, showing how each element within a array of numbers can exert minimal agency and implement sorting policies from the bottom up), and fully reliable hardware (instead, allowing some of the elements to be "damaged" and fail to execute the algorithm). We quantitatively characterize sorting activity as the traversal of a problem space, showing that arrays of autonomous elements sort themselves more reliably and robustly than traditional implementations in the presence of errors. Moreover, we find the ability to temporarily reduce progress in order to navigate around a defect, and unexpected clustering behavior among the elements in chimeric arrays whose elements follow one of two different algorithms. The discovery of emergent problem-solving capacities in simple, familiar algorithms contributes a new perspective to the field of Diverse Intelligence, showing how basal forms of intelligence can emerge in simple systems without being explicitly encoded in their underlying mechanics.

Analysis of 3D segmentation models, especially in the context of medical imaging, is often limited to segmentation performance metrics that overlook the crucial aspect of explainability and bias. Currently, effectively explaining these models with saliency maps is challenging due to the high dimensions of input images multiplied by the ever-growing number of segmented class labels. To this end, we introduce Agg^2Exp, a methodology for aggregating fine-grained voxel attributions of the segmentation model's predictions. Unlike classical explanation methods that primarily focus on the local feature attribution, Agg^2Exp enables a more comprehensive global view on the importance of predicted segments in 3D images. Our benchmarking experiments show that gradient-based voxel attributions are more faithful to the model's predictions than perturbation-based explanations. As a concrete use-case, we apply Agg^2Exp to discover knowledge acquired by the Swin UNEt TRansformer model trained on the TotalSegmentator v2 dataset for segmenting anatomical structures in computed tomography medical images. Agg^2Exp facilitates the explanatory analysis of large segmentation models beyond their predictive performance.

Broad, open source availability of large pretrained foundation models on the internet through platforms such as HuggingFace has taken the world of practical deep learning by storm. A classical pipeline for neural network training now typically consists of finetuning these pretrained network on a small target dataset instead of training from scratch. In the case of large models this can be done even on modest hardware using a low rank training technique known as Low-Rank Adaptation (LoRA). While Low Rank training has already been studied in the continual learning setting, existing works often consider storing the learned adapter along with the existing model but rarely attempt to modify the weights of the pretrained model by merging the LoRA with the existing weights after finishing the training of each task. In this article we investigate this setting and study the impact of LoRA rank on the forgetting of the pretraining foundation task and on the plasticity and forgetting of subsequent ones. We observe that this rank has an important impact on forgetting of both the pretraining and downstream tasks. We also observe that vision transformers finetuned in that way exhibit a sort of ``contextual'' forgetting, a behaviour that we do not observe for residual networks and that we believe has not been observed yet in previous continual learning works.

A fairly reliable trend in deep reinforcement learning is that the performance scales with the number of parameters, provided a complimentary scaling in amount of training data. As the appetite for large models increases, it is imperative to address, sooner than later, the potential problem of running out of high-quality demonstrations. In this case, instead of collecting only new data via costly human demonstrations or risking a simulation-to-real transfer with uncertain effects, it would be beneficial to leverage vast amounts of readily-available low-quality data. Since classical control algorithms such as behavior cloning or temporal difference learning cannot be used on reward-free or action-free data out-of-the-box, this solution warrants novel training paradigms for continuous control. We propose a simple algorithm called Diffused Value Function (DVF), which learns a joint multi-step model of the environment-robot interaction dynamics using a diffusion model. This model can be efficiently learned from state sequences (i.e., without access to reward functions nor actions), and subsequently used to estimate the value of each action out-of-the-box. We show how DVF can be used to efficiently capture the state visitation measure for multiple controllers, and show promising qualitative and quantitative results on challenging robotics benchmarks.

The ability to quickly learn a new task with minimal instruction - known as few-shot learning - is a central aspect of intelligent agents. Classical few-shot benchmarks make use of few-shot samples from a single modality, but such samples may not be sufficient to characterize an entire concept class. In contrast, humans use cross-modal information to learn new concepts efficiently. In this work, we demonstrate that one can indeed build a better {bf visual} dog classifier by {bf read}ing about dogs and {bf listen}ing to them bark. To do so, we exploit the fact that recent multimodal foundation models such as CLIP are inherently cross-modal, mapping different modalities to the same representation space. Specifically, we propose a simple cross-modal adaptation approach that learns from few-shot examples spanning different modalities. By repurposing class names as additional one-shot training samples, we achieve SOTA results with an embarrassingly simple linear classifier for vision-language adaptation. Furthermore, we show that our approach can benefit existing methods such as prefix tuning, adapters, and classifier ensembling. Finally, to explore other modalities beyond vision and language, we construct the first (to our knowledge) audiovisual few-shot benchmark and use cross-modal training to improve the performance of both image and audio classification.

Compared to standard Named Entity Recognition (NER), identifying persons, locations, and organizations in historical texts constitutes a big challenge. To obtain machine-readable corpora, the historical text is usually scanned and Optical Character Recognition (OCR) needs to be performed. As a result, the historical corpora contain errors. Also, entities like location or organization can change over time, which poses another challenge. Overall, historical texts come with several peculiarities that differ greatly from modern texts and large labeled corpora for training a neural tagger are hardly available for this domain. In this work, we tackle NER for historical German, English, French, Swedish, and Finnish by training large historical language models. We circumvent the need for large amounts of labeled data by using unlabeled data for pretraining a language model. We propose hmBERT, a historical multilingual BERT-based language model, and release the model in several versions of different sizes. Furthermore, we evaluate the capability of hmBERT by solving downstream NER as part of this year's HIPE-2022 shared task and provide detailed analysis and insights. For the Multilingual Classical Commentary coarse-grained NER challenge, our tagger HISTeria outperforms the other teams' models for two out of three languages.

Denoising Diffusion Probabilistic Models (DDPMs) can generate high-quality samples such as image and audio samples. However, DDPMs require hundreds to thousands of iterations to produce final samples. Several prior works have successfully accelerated DDPMs through adjusting the variance schedule (e.g., Improved Denoising Diffusion Probabilistic Models) or the denoising equation (e.g., Denoising Diffusion Implicit Models (DDIMs)). However, these acceleration methods cannot maintain the quality of samples and even introduce new noise at a high speedup rate, which limit their practicability. To accelerate the inference process while keeping the sample quality, we provide a fresh perspective that DDPMs should be treated as solving differential equations on manifolds. Under such a perspective, we propose pseudo numerical methods for diffusion models (PNDMs). Specifically, we figure out how to solve differential equations on manifolds and show that DDIMs are simple cases of pseudo numerical methods. We change several classical numerical methods to corresponding pseudo numerical methods and find that the pseudo linear multi-step method is the best in most situations. According to our experiments, by directly using pre-trained models on Cifar10, CelebA and LSUN, PNDMs can generate higher quality synthetic images with only 50 steps compared with 1000-step DDIMs (20x speedup), significantly outperform DDIMs with 250 steps (by around 0.4 in FID) and have good generalization on different variance schedules. Our implementation is available at https://github.com/luping-liu/PNDM.

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera that uses two input-dependent 2-D SSM heads with different discretization processes to learn long-term progression and seasonal patterns. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. We further present and discuss 2-dimensional Mamba and Mamba-2 as the spacial cases of our 2D SSM. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

We propose a novel family of language models, Latent-Thought Language Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors, and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional LLMs, yielding a structured design space. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to conventional autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model and latent size, and achieve competitive performance in conditional and unconditional text generation.

Software testing and verification are critical for ensuring the reliability and security of modern software systems. Traditionally, formal verification techniques, such as model checking and theorem proving, have provided rigorous frameworks for detecting bugs and vulnerabilities. However, these methods often face scalability challenges when applied to complex, real-world programs. Recently, the advent of Large Language Models (LLMs) has introduced a new paradigm for software analysis, leveraging their ability to understand insecure coding practices. Although LLMs demonstrate promising capabilities in tasks such as bug prediction and invariant generation, they lack the formal guarantees of classical methods. This paper presents a comprehensive study of state-of-the-art software testing and verification, focusing on three key approaches: classical formal methods, LLM-based analysis, and emerging hybrid techniques, which combine their strengths. We explore each approach's strengths, limitations, and practical applications, highlighting the potential of hybrid systems to address the weaknesses of standalone methods. We analyze whether integrating formal rigor with LLM-driven insights can enhance the effectiveness and scalability of software verification, exploring their viability as a pathway toward more robust and adaptive testing frameworks.

Indian classical music relies on a sophisticated microtonal system of 22 shrutis (pitch intervals), which provides expressive nuance beyond the 12-tone equal temperament system. Existing symbolic music processing tools fail to account for these microtonal distinctions and culturally specific raga grammars that govern melodic movement. We present ShrutiSense, a comprehensive symbolic pitch processing system designed for Indian classical music, addressing two critical tasks: (1) correcting westernized or corrupted pitch sequences, and (2) completing melodic sequences with missing values. Our approach employs complementary models for different tasks: a Shruti-aware finite-state transducer (FST) that performs contextual corrections within the 22-shruti framework and a grammar-constrained Shruti hidden Markov model (GC-SHMM) that incorporates raga-specific transition rules for contextual completions. Comprehensive evaluation on simulated data across five ragas demonstrates that ShrutiSense (FST model) achieves 91.3% shruti classification accuracy for correction tasks, with example sequences showing 86.7-90.0% accuracy at corruption levels of 0.2 to 0.4. The system exhibits robust performance under pitch noise up to +/-50 cents, maintaining consistent accuracy across ragas (90.7-91.8%), thus preserving the cultural authenticity of Indian classical music expression.

Foundation models have triggered a paradigm shift in computer vision and are increasingly being adopted in remote sensing, particularly for multispectral imagery. Yet, their potential in hyperspectral imaging (HSI) remains untapped due to the absence of comprehensive and globally representative hyperspectral datasets. To close this gap, we introduce SpectralEarth, a large-scale multi-temporal dataset designed to pretrain hyperspectral foundation models leveraging data from the Environmental Mapping and Analysis Program (EnMAP). SpectralEarth comprises 538,974 image patches covering 415,153 unique locations from more than 11,636 globally distributed EnMAP scenes spanning two years of archive. Additionally, 17.5% of these locations include multiple timestamps, enabling multi-temporal HSI analysis. Utilizing state-of-the-art self-supervised learning (SSL) algorithms, we pretrain a series of foundation models on SpectralEarth. We integrate a spectral adapter into classical vision backbones to accommodate the unique characteristics of HSI. In tandem, we construct four downstream datasets for land-cover and crop-type mapping, providing benchmarks for model evaluation. Experimental results support the versatility of our models, showcasing their generalizability across different tasks and sensors. We also highlight computational efficiency during model fine-tuning. The dataset, models, and source code will be made publicly available.

This paper introduces the idea of applying signal processing inside a Large Language Model (LLM). With the recent explosion of generative AI, our work can help bridge two fields together, namely the field of signal processing and large language models. We draw parallels between classical Fourier-Transforms and Fourier Transform-like learnable time-frequency representations for every intermediate activation signal of an LLM. Once we decompose every activation signal across tokens into a time-frequency representation, we learn how to filter and reconstruct them, with all components learned from scratch, to predict the next token given the previous context. We show that for GPT-like architectures, our work achieves faster convergence and significantly increases performance by adding a minuscule number of extra parameters when trained for the same epochs. We hope this work paves the way for algorithms exploring signal processing inside the signals found in neural architectures like LLMs and beyond.

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. Thus, while stressing quantum computers can be essential for collecting data, our analysis sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes. We end by discussing caveats in our arguments, the role of smart initializations and the possibility of provably superpolynomial, or simply practical, advantages from running parametrized quantum circuits.

Online updating of time series forecasting models aims to address the concept drifting problem by efficiently updating forecasting models based on streaming data. Many algorithms are designed for online time series forecasting, with some exploiting cross-variable dependency while others assume independence among variables. Given every data assumption has its own pros and cons in online time series modeling, we propose Online ensembling Network (OneNet). It dynamically updates and combines two models, with one focusing on modeling the dependency across the time dimension and the other on cross-variate dependency. Our method incorporates a reinforcement learning-based approach into the traditional online convex programming framework, allowing for the linear combination of the two models with dynamically adjusted weights. OneNet addresses the main shortcoming of classical online learning methods that tend to be slow in adapting to the concept drift. Empirical results show that OneNet reduces online forecasting error by more than 50% compared to the State-Of-The-Art (SOTA) method. The code is available at https://github.com/yfzhang114/OneNet.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

The objective of this study is to evaluate the potential for History Matching (HM) to tune a climate system with multi-scale dynamics. By considering a toy climate model, namely, the two-scale Lorenz96 model and producing experiments in perfect-model setting, we explore in detail how several built-in choices need to be carefully tested. We also demonstrate the importance of introducing physical expertise in the range of parameters, a priori to running HM. Finally we revisit a classical procedure in climate model tuning, that consists of tuning the slow and fast components separately. By doing so in the Lorenz96 model, we illustrate the non-uniqueness of plausible parameters and highlight the specificity of metrics emerging from the coupling. This paper contributes also to bridging the communities of uncertainty quantification, machine learning and climate modeling, by making connections between the terms used by each community for the same concept and presenting promising collaboration avenues that would benefit climate modeling research.

Foundation Models (FMs) are models trained on large corpora of data that, at very large scale, can generalize to new tasks without any task-specific finetuning. As these models continue to grow in size, innovations continue to push the boundaries of what these models can do on language and image tasks. This paper aims to understand an underexplored area of FMs: classical data tasks like cleaning and integration. As a proof-of-concept, we cast five data cleaning and integration tasks as prompting tasks and evaluate the performance of FMs on these tasks. We find that large FMs generalize and achieve SoTA performance on data cleaning and integration tasks, even though they are not trained for these data tasks. We identify specific research challenges and opportunities that these models present, including challenges with private and domain specific data, and opportunities to make data management systems more accessible to non-experts. We make our code and experiments publicly available at: https://github.com/HazyResearch/fm_data_tasks.

We present Latin BERT, a contextual language model for the Latin language, trained on 642.7 million words from a variety of sources spanning the Classical era to the 21st century. In a series of case studies, we illustrate the affordances of this language-specific model both for work in natural language processing for Latin and in using computational methods for traditional scholarship: we show that Latin BERT achieves a new state of the art for part-of-speech tagging on all three Universal Dependency datasets for Latin and can be used for predicting missing text (including critical emendations); we create a new dataset for assessing word sense disambiguation for Latin and demonstrate that Latin BERT outperforms static word embeddings; and we show that it can be used for semantically-informed search by querying contextual nearest neighbors. We publicly release trained models to help drive future work in this space.

Much of machine learning research focuses on producing models which perform well on benchmark tasks, in turn improving our understanding of the challenges associated with those tasks. From the perspective of ML researchers, the content of the task itself is largely irrelevant, and thus there have increasingly been calls for benchmark tasks to more heavily focus on problems which are of social or cultural relevance. In this work, we introduce Kuzushiji-MNIST, a dataset which focuses on Kuzushiji (cursive Japanese), as well as two larger, more challenging datasets, Kuzushiji-49 and Kuzushiji-Kanji. Through these datasets, we wish to engage the machine learning community into the world of classical Japanese literature. Dataset available at https://github.com/rois-codh/kmnist

We introduce the Yi model family, a series of language and multimodal models that demonstrate strong multi-dimensional capabilities. The Yi model family is based on 6B and 34B pretrained language models, then we extend them to chat models, 200K long context models, depth-upscaled models, and vision-language models. Our base models achieve strong performance on a wide range of benchmarks like MMLU, and our finetuned chat models deliver strong human preference rate on major evaluation platforms like AlpacaEval and Chatbot Arena. Building upon our scalable super-computing infrastructure and the classical transformer architecture, we attribute the performance of Yi models primarily to its data quality resulting from our data-engineering efforts. For pretraining, we construct 3.1 trillion tokens of English and Chinese corpora using a cascaded data deduplication and quality filtering pipeline. For finetuning, we polish a small scale (less than 10K) instruction dataset over multiple iterations such that every single instance has been verified directly by our machine learning engineers. For vision-language, we combine the chat language model with a vision transformer encoder and train the model to align visual representations to the semantic space of the language model. We further extend the context length to 200K through lightweight continual pretraining and demonstrate strong needle-in-a-haystack retrieval performance. We show that extending the depth of the pretrained checkpoint through continual pretraining further improves performance. We believe that given our current results, continuing to scale up model parameters using thoroughly optimized data will lead to even stronger frontier models.

Classical Arabic represents a significant era, encompassing the golden age of Arab culture, philosophy, and scientific literature. With a broad consensus on the importance of translating these literatures to enrich knowledge dissemination across communities, the advent of large language models (LLMs) and translation systems offers promising tools to facilitate this goal. However, we have identified a scarcity of translation datasets in Classical Arabic, which are often limited in scope and topics, hindering the development of high-quality translation systems. In response, we present the ATHAR dataset, comprising 66,000 high-quality Classical Arabic to English translation samples that cover a wide array of subjects including science, culture, and philosophy. Furthermore, we assess the performance of current state-of-the-art LLMs under various settings, concluding that there is a need for such datasets in current systems. Our findings highlight how models can benefit from fine-tuning or incorporating this dataset into their pretraining pipelines. The dataset is publicly available on the HuggingFace Data Hub at https://huggingface.co/datasets/mohamed-khalil/ATHAR.

We introduce PHYSICS, a comprehensive benchmark for university-level physics problem solving. It contains 1297 expert-annotated problems covering six core areas: classical mechanics, quantum mechanics, thermodynamics and statistical mechanics, electromagnetism, atomic physics, and optics. Each problem requires advanced physics knowledge and mathematical reasoning. We develop a robust automated evaluation system for precise and reliable validation. Our evaluation of leading foundation models reveals substantial limitations. Even the most advanced model, o3-mini, achieves only 59.9% accuracy, highlighting significant challenges in solving high-level scientific problems. Through comprehensive error analysis, exploration of diverse prompting strategies, and Retrieval-Augmented Generation (RAG)-based knowledge augmentation, we identify key areas for improvement, laying the foundation for future advancements.

In this study, we examine the representation learning abilities of Denoising Diffusion Models (DDM) that were originally purposed for image generation. Our philosophy is to deconstruct a DDM, gradually transforming it into a classical Denoising Autoencoder (DAE). This deconstructive procedure allows us to explore how various components of modern DDMs influence self-supervised representation learning. We observe that only a very few modern components are critical for learning good representations, while many others are nonessential. Our study ultimately arrives at an approach that is highly simplified and to a large extent resembles a classical DAE. We hope our study will rekindle interest in a family of classical methods within the realm of modern self-supervised learning.

The dominant paradigm for RLHF is online and on-policy RL: synchronously generating from the large language model (LLM) policy, labelling with a reward model, and learning using feedback on the LLM's own outputs. While performant, this paradigm is computationally inefficient. Inspired by classical deep RL literature, we propose separating generation and learning in RLHF. This enables asynchronous generation of new samples while simultaneously training on old samples, leading to faster training and more compute-optimal scaling. However, asynchronous training relies on an underexplored regime, online but off-policy RLHF: learning on samples from previous iterations of our model. To understand the challenges in this regime, we investigate a fundamental question: how much off-policyness can we tolerate for asynchronous training to speed up learning but maintain performance? Among several RLHF algorithms we tested, we find that online DPO is most robust to off-policy data, and robustness increases with the scale of the policy model. We study further compute optimizations for asynchronous RLHF but find that they come at a performance cost, giving rise to a trade-off. Finally, we verify the scalability of asynchronous RLHF by training LLaMA 3.1 8B on an instruction-following task 40% faster than a synchronous run while matching final performance.

Recent studies on software tool manipulation with large language models (LLMs) mostly rely on closed model APIs. The industrial adoption of these models is substantially constrained due to the security and robustness risks in exposing information to closed LLM API services. In this paper, we ask can we enhance open-source LLMs to be competitive to leading closed LLM APIs in tool manipulation, with practical amount of human supervision. By analyzing common tool manipulation failures, we first demonstrate that open-source LLMs may require training with usage examples, in-context demonstration and generation style regulation to resolve failures. These insights motivate us to revisit classical methods in LLM literature, and demonstrate that we can adapt them as model alignment with programmatic data generation, system prompts and in-context demonstration retrievers to enhance open-source LLMs for tool manipulation. To evaluate these techniques, we create the ToolBench, a tool manipulation benchmark consisting of diverse software tools for real-world tasks. We demonstrate that our techniques can boost leading open-source LLMs by up to 90% success rate, showing capabilities competitive to OpenAI GPT-4 in 4 out of 8 ToolBench tasks. We show that such enhancement typically requires about one developer day to curate data for each tool, rendering a recipe with practical amount of human supervision.

We show that autoregressive decoding of a transformer-based language model can realize universal computation, without external intervention or modification of the model's weights. Establishing this result requires understanding how a language model can process arbitrarily long inputs using a bounded context. For this purpose, we consider a generalization of autoregressive decoding where, given a long input, emitted tokens are appended to the end of the sequence as the context window advances. We first show that the resulting system corresponds to a classical model of computation, a Lag system, that has long been known to be computationally universal. By leveraging a new proof, we show that a universal Turing machine can be simulated by a Lag system with 2027 production rules. We then investigate whether an existing large language model can simulate the behaviour of such a universal Lag system. We give an affirmative answer by showing that a single system-prompt can be developed for gemini-1.5-pro-001 that drives the model, under deterministic (greedy) decoding, to correctly apply each of the 2027 production rules. We conclude that, by the Church-Turing thesis, prompted gemini-1.5-pro-001 with extended autoregressive (greedy) decoding is a general purpose computer.

Code-LLMs, LLMs pre-trained on large code corpora, have shown great progress in learning rich representations of the structure and syntax of code, successfully using it to generate or classify code fragments. At the same time, understanding if they are able to do so because they capture code semantics, and how well, is still an open question. In this paper, we tackle this problem by introducing SeqCoBench, a benchmark for systematically assessing how Code-LLMs can capture code functional equivalence. SeqCoBench contains over 20 code transformations that either preserve or alter the semantics of Python programs. We conduct extensive evaluations in different settings, including zero-shot and parameter-efficient finetuning methods on state-of-the-art (Code)-LLMs to see if they can discern semantically equivalent or different pairs of programs in SeqCoBench. We find that the performance gap between these LLMs and classical match-based retrieval scores is minimal, with both approaches showing a concerning lack of depth in understanding code semantics.

State-space models (SSMs) offer a powerful framework for dynamical system analysis, wherein the temporal dynamics of the system are assumed to be captured through the evolution of the latent states, which govern the values of the observations. This paper provides a selective review of recent advancements in deep neural network-based approaches for SSMs, and presents a unified perspective for discrete time deep state space models and continuous time ones such as latent neural Ordinary Differential and Stochastic Differential Equations. It starts with an overview of the classical maximum likelihood based approach for learning SSMs, reviews variational autoencoder as a general learning pipeline for neural network-based approaches in the presence of latent variables, and discusses in detail representative deep learning models that fall under the SSM framework. Very recent developments, where SSMs are used as standalone architectural modules for improving efficiency in sequence modeling, are also examined. Finally, examples involving mixed frequency and irregularly-spaced time series data are presented to demonstrate the advantage of SSMs in these settings.

Game theory, as an analytical tool, is frequently utilized to analyze human behavior in social science research. With the high alignment between the behavior of Large Language Models (LLMs) and humans, a promising research direction is to employ LLMs as substitutes for humans in game experiments, enabling social science research. However, despite numerous empirical researches on the combination of LLMs and game theory, the capability boundaries of LLMs in game theory remain unclear. In this research, we endeavor to systematically analyze LLMs in the context of game theory. Specifically, rationality, as the fundamental principle of game theory, serves as the metric for evaluating players' behavior -- building a clear desire, refining belief about uncertainty, and taking optimal actions. Accordingly, we select three classical games (dictator game, Rock-Paper-Scissors, and ring-network game) to analyze to what extent LLMs can achieve rationality in these three aspects. The experimental results indicate that even the current state-of-the-art LLM (GPT-4) exhibits substantial disparities compared to humans in game theory. For instance, LLMs struggle to build desires based on uncommon preferences, fail to refine belief from many simple patterns, and may overlook or modify refined belief when taking actions. Therefore, we consider that introducing LLMs into game experiments in the field of social science should be approached with greater caution.

Weight initialization plays an important role in neural network training. Widely used initialization methods are proposed and evaluated for networks that are trained from scratch. However, the growing number of pretrained models now offers new opportunities for tackling this classical problem of weight initialization. In this work, we introduce weight selection, a method for initializing smaller models by selecting a subset of weights from a pretrained larger model. This enables the transfer of knowledge from pretrained weights to smaller models. Our experiments demonstrate that weight selection can significantly enhance the performance of small models and reduce their training time. Notably, it can also be used together with knowledge distillation. Weight selection offers a new approach to leverage the power of pretrained models in resource-constrained settings, and we hope it can be a useful tool for training small models in the large-model era. Code is available at https://github.com/OscarXZQ/weight-selection.

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

Designing robust frameworks for precise prediction of future prices of stocks has always been considered a very challenging research problem. The advocates of the classical efficient market hypothesis affirm that it is impossible to accurately predict the future prices in an efficiently operating market due to the stochastic nature of the stock price variables. However, numerous propositions exist in the literature with varying degrees of sophistication and complexity that illustrate how algorithms and models can be designed for making efficient, accurate, and robust predictions of stock prices. We present a gamut of ten deep learning models of regression for precise and robust prediction of the future prices of the stock of a critical company in the auto sector of India. Using a very granular stock price collected at 5 minutes intervals, we train the models based on the records from 31st Dec, 2012 to 27th Dec, 2013. The testing of the models is done using records from 30th Dec, 2013 to 9th Jan 2015. We explain the design principles of the models and analyze the results of their performance based on accuracy in forecasting and speed of execution.

While diffusion models excel at generating high-quality images, prior work reports a significant performance gap between diffusion and autoregressive (AR) methods in language modeling. In this work, we show that simple masked discrete diffusion is more performant than previously thought. We apply an effective training recipe that improves the performance of masked diffusion models and derive a simplified, Rao-Blackwellized objective that results in additional improvements. Our objective has a simple form -- it is a mixture of classical masked language modeling losses -- and can be used to train encoder-only language models that admit efficient samplers, including ones that can generate arbitrary lengths of text semi-autoregressively like a traditional language model. On language modeling benchmarks, a range of masked diffusion models trained with modern engineering practices achieves a new state-of-the-art among diffusion models, and approaches AR perplexity. We release our code at: https://github.com/kuleshov-group/mdlm

Recent advancements, such as DeepSeek-Prover-V2-671B and Kimina-Prover-Preview-72B, demonstrate a prevailing trend in leveraging reinforcement learning (RL)-based large-scale training for automated theorem proving. Surprisingly, we discover that even without any training, careful neuro-symbolic coordination of existing off-the-shelf reasoning models and tactic step provers can achieve comparable performance. This paper introduces DSP+, an improved version of the Draft, Sketch, and Prove framework, featuring a fine-grained and integrated neuro-symbolic enhancement for each phase: (1) In the draft phase, we prompt reasoning models to generate concise natural-language subgoals to benefit the sketch phase, removing thinking tokens and references to human-written proofs; (2) In the sketch phase, subgoals are autoformalized with hypotheses to benefit the proving phase, and sketch lines containing syntactic errors are masked according to predefined rules; (3) In the proving phase, we tightly integrate symbolic search methods like Aesop with step provers to establish proofs for the sketch subgoals. Experimental results show that, without any additional model training or fine-tuning, DSP+ solves 80.7\%, 32.8\%, and 24 out of 644 problems from miniF2F, ProofNet, and PutnamBench, respectively, while requiring fewer budgets compared to state-of-the-arts. DSP+ proves imo\_2019\_p1, an IMO problem in miniF2F that is not solved by any prior work. Additionally, DSP+ generates proof patterns comprehensible by human experts, facilitating the identification of formalization errors; For example, eight wrongly formalized statements in miniF2F are discovered. Our results highlight the potential of classical reasoning patterns besides the RL-based training. All components will be open-sourced.

State-space models (SSMs) and transformers dominate the language modeling landscape. However, they are constrained to a lower computational complexity than classical recurrent neural networks (RNNs), limiting their expressivity. In contrast, RNNs lack parallelization during training, raising fundamental questions about the trade off between parallelization and expressivity. We propose implicit SSMs, which iterate a transformation until convergence to a fixed point. Theoretically, we show that implicit SSMs implement the non-linear state-transitions of RNNs. Empirically, we find that only approximate fixed-point convergence suffices, enabling the design of a scalable training curriculum that largely retains parallelization, with full convergence required only for a small subset of tokens. Our approach demonstrates superior state-tracking capabilities on regular languages, surpassing transformers and SSMs. We further scale implicit SSMs to natural language reasoning tasks and pretraining of large-scale language models up to 1.3B parameters on 207B tokens - representing, to our knowledge, the largest implicit model trained to date. Notably, our implicit models outperform their explicit counterparts on standard benchmarks.

Fuzzy (wave) dark matter (FDM), the dynamical model underlying an ultralight bosonic dark matter species, produces a rich set of non-gravitational signatures that distinguishes it markedly from the phenomenologically related warm (particle) dark matter (WDM) scenario. The emergence of extended interference fringes hosted by cosmic filaments is one such phenomenon reported by cosmological simulations, and a detailed understanding of such may strengthen existing limits on the boson mass but also break the degeneracy with WDM, and provide a unique fingerprint of interference in cosmology. In this paper, we provide initial steps towards this goal. In particular, we show in a bottom-up approach, how the presence of interference in an idealised filament population can lead to a non-suppressive feature in the matter power spectrum -- an observation supported by fully-cosmological FDM simulations. To this end, we build on a theoretically motivated and numerically observed steady-state approximation for filaments and express the equilibrium dynamics of such in an expansion of FDM eigenstates. We optimise the size of the expansion by incorporating classical phase-space information. Ellipsoidal collapse considerations are used to construct a fuzzy filament mass function which, together with the reconstructed FDM wave function, allow us to efficiently compute the one-filament power spectrum. We showcase our non-perturbative interference model for a selection of boson masses and confirm our approach is able to produce the matter power boost observed in fully-cosmological FDM simulations. More precisely, we find an excess in correlation between the spatial scale associated with the FDM ground state and the quantum pressure scale. We speculate about applications of this effect in data analysis.

Hindustani music is a performance-driven oral tradition that exhibits the rendition of rich melodic patterns. In this paper, we focus on generative modeling of singers' vocal melodies extracted from audio recordings, as the voice is musically prominent within the tradition. Prior generative work in Hindustani music models melodies as coarse discrete symbols which fails to capture the rich expressive melodic intricacies of singing. Thus, we propose to use a finely quantized pitch contour, as an intermediate representation for hierarchical audio modeling. We propose GaMaDHaNi, a modular two-level hierarchy, consisting of a generative model on pitch contours, and a pitch contour to audio synthesis model. We compare our approach to non-hierarchical audio models and hierarchical models that use a self-supervised intermediate representation, through a listening test and qualitative analysis. We also evaluate audio model's ability to faithfully represent the pitch contour input using Pearson correlation coefficient. By using pitch contours as an intermediate representation, we show that our model may be better equipped to listen and respond to musicians in a human-AI collaborative setting by highlighting two potential interaction use cases (1) primed generation, and (2) coarse pitch conditioning.

In this paper, we explore the capabilities of state-of-the-art large language models (LLMs) such as GPT-4, Claude 3 Opus, and Gemini 1.0 Ultra in solving undergraduate-level control problems. Controls provides an interesting case study for LLM reasoning due to its combination of mathematical theory and engineering design. We introduce ControlBench, a benchmark dataset tailored to reflect the breadth, depth, and complexity of classical control design. We use this dataset to study and evaluate the problem-solving abilities of these LLMs in the context of control engineering. We present evaluations conducted by a panel of human experts, providing insights into the accuracy, reasoning, and explanatory prowess of LLMs in control engineering. Our analysis reveals the strengths and limitations of each LLM in the context of classical control, and our results imply that Claude 3 Opus has become the state-of-the-art LLM for solving undergraduate control problems. Our study serves as an initial step towards the broader goal of employing artificial general intelligence in control engineering.

Recently, the relationship between automated and human evaluation of topic models has been called into question. Method developers have staked the efficacy of new topic model variants on automated measures, and their failure to approximate human preferences places these models on uncertain ground. Moreover, existing evaluation paradigms are often divorced from real-world use. Motivated by content analysis as a dominant real-world use case for topic modeling, we analyze two related aspects of topic models that affect their effectiveness and trustworthiness in practice for that purpose: the stability of their estimates and the extent to which the model's discovered categories align with human-determined categories in the data. We find that neural topic models fare worse in both respects compared to an established classical method. We take a step toward addressing both issues in tandem by demonstrating that a straightforward ensembling method can reliably outperform the members of the ensemble.

The task of discerning between generated and natural texts is increasingly challenging. In this context, watermarking emerges as a promising technique for ascribing generated text to a specific model. It alters the sampling generation process so as to leave an invisible trace in the generated output, facilitating later detection. This research consolidates watermarks for large language models based on three theoretical and empirical considerations. First, we introduce new statistical tests that offer robust theoretical guarantees which remain valid even at low false-positive rates (less than 10^{-6}). Second, we compare the effectiveness of watermarks using classical benchmarks in the field of natural language processing, gaining insights into their real-world applicability. Third, we develop advanced detection schemes for scenarios where access to the LLM is available, as well as multi-bit watermarking.

Consistency Training (CT) has recently emerged as a promising alternative to diffusion models, achieving competitive performance in image generation tasks. However, non-distillation consistency training often suffers from high variance and instability, and analyzing and improving its training dynamics is an active area of research. In this work, we propose a novel CT training approach based on the Flow Matching framework. Our main contribution is a trained noise-coupling scheme inspired by the architecture of Variational Autoencoders (VAE). By training a data-dependent noise emission model implemented as an encoder architecture, our method can indirectly learn the geometry of the noise-to-data mapping, which is instead fixed by the choice of the forward process in classical CT. Empirical results across diverse image datasets show significant generative improvements, with our model outperforming baselines and achieving the state-of-the-art (SoTA) non-distillation CT FID on CIFAR-10, and attaining FID on par with SoTA on ImageNet at 64 times 64 resolution in 2-step generation. Our code is available at https://github.com/sony/vct .

We often interact with untrusted parties. Prioritization of privacy can limit the effectiveness of these interactions, as achieving certain goals necessitates sharing private data. Traditionally, addressing this challenge has involved either seeking trusted intermediaries or constructing cryptographic protocols that restrict how much data is revealed, such as multi-party computations or zero-knowledge proofs. While significant advances have been made in scaling cryptographic approaches, they remain limited in terms of the size and complexity of applications they can be used for. In this paper, we argue that capable machine learning models can fulfill the role of a trusted third party, thus enabling secure computations for applications that were previously infeasible. In particular, we describe Trusted Capable Model Environments (TCMEs) as an alternative approach for scaling secure computation, where capable machine learning model(s) interact under input/output constraints, with explicit information flow control and explicit statelessness. This approach aims to achieve a balance between privacy and computational efficiency, enabling private inference where classical cryptographic solutions are currently infeasible. We describe a number of use cases that are enabled by TCME, and show that even some simple classic cryptographic problems can already be solved with TCME. Finally, we outline current limitations and discuss the path forward in implementing them.

Motivated by the large progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning models that are typically optimized over a continuous parameter space, VML constrains the parameter space to be human-interpretable natural language. Such a constraint leads to a new perspective of function approximation, where an LLM with a text prompt can be viewed as a function parameterized by the text prompt. Guided by this perspective, we revisit classical machine learning problems, such as regression and classification, and find that these problems can be solved by an LLM-parameterized learner and optimizer. The major advantages of VML include (1) easy encoding of inductive bias: prior knowledge about the problem and hypothesis class can be encoded in natural language and fed into the LLM-parameterized learner; (2) automatic model class selection: the optimizer can automatically select a concrete model class based on data and verbalized prior knowledge, and it can update the model class during training; and (3) interpretable learner updates: the LLM-parameterized optimizer can provide explanations for why each learner update is performed. We conduct several studies to empirically evaluate the effectiveness of VML, and hope that VML can serve as a stepping stone to stronger interpretability and trustworthiness in ML.

Automated Planning and Scheduling is among the growing areas in Artificial Intelligence (AI) where mention of LLMs has gained popularity. Based on a comprehensive review of 126 papers, this paper investigates eight categories based on the unique applications of LLMs in addressing various aspects of planning problems: language translation, plan generation, model construction, multi-agent planning, interactive planning, heuristics optimization, tool integration, and brain-inspired planning. For each category, we articulate the issues considered and existing gaps. A critical insight resulting from our review is that the true potential of LLMs unfolds when they are integrated with traditional symbolic planners, pointing towards a promising neuro-symbolic approach. This approach effectively combines the generative aspects of LLMs with the precision of classical planning methods. By synthesizing insights from existing literature, we underline the potential of this integration to address complex planning challenges. Our goal is to encourage the ICAPS community to recognize the complementary strengths of LLMs and symbolic planners, advocating for a direction in automated planning that leverages these synergistic capabilities to develop more advanced and intelligent planning systems.

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

Objective: We investigate whether deep learning techniques for natural language processing (NLP) can be used efficiently for patient phenotyping. Patient phenotyping is a classification task for determining whether a patient has a medical condition, and is a crucial part of secondary analysis of healthcare data. We assess the performance of deep learning algorithms and compare them with classical NLP approaches. Materials and Methods: We compare convolutional neural networks (CNNs), n-gram models, and approaches based on cTAKES that extract pre-defined medical concepts from clinical notes and use them to predict patient phenotypes. The performance is tested on 10 different phenotyping tasks using 1,610 discharge summaries extracted from the MIMIC-III database. Results: CNNs outperform other phenotyping algorithms in all 10 tasks. The average F1-score of our model is 76 (PPV of 83, and sensitivity of 71) with our model having an F1-score up to 37 points higher than alternative approaches. We additionally assess the interpretability of our model by presenting a method that extracts the most salient phrases for a particular prediction. Conclusion: We show that NLP methods based on deep learning improve the performance of patient phenotyping. Our CNN-based algorithm automatically learns the phrases associated with each patient phenotype. As such, it reduces the annotation complexity for clinical domain experts, who are normally required to develop task-specific annotation rules and identify relevant phrases. Our method performs well in terms of both performance and interpretability, which indicates that deep learning is an effective approach to patient phenotyping based on clinicians' notes.

Investigating NLP through a philosophical lens has recently caught researcher's eyes as it connects computational methods with classical schools of philosophy. This paper introduces a philosophical approach inspired by the Hegelian Dialectic for LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and then synthesize new ideas by resolving the contradicting points. Moreover, this paper investigates the effect of LLMs' temperature for generation by establishing a dynamic annealing approach, which promotes the creativity in the early stages and gradually refines it by focusing on the nuances, as well as a fixed temperature strategy for generation. Our proposed approach is examined to determine its ability to generate novel ideas from an initial proposition. Additionally, a Multi Agent Majority Voting (MAMV) strategy is leveraged to assess the validity and novelty of the generated ideas, which proves beneficial in the absence of domain experts. Our experiments show promise in generating new ideas and provide a stepping stone for future research.

Abstract visual reasoning (AVR) encompasses a suite of tasks whose solving requires the ability to discover common concepts underlying the set of pictures through an analogy-making process, similarly to human IQ tests. Bongard Problems (BPs), proposed in 1968, constitute a fundamental challenge in this domain mainly due to their requirement to combine visual reasoning and verbal description. This work poses a question whether multimodal large language models (MLLMs) inherently designed to combine vision and language are capable of tackling BPs. To this end, we propose a set of diverse MLLM-suited strategies to tackle BPs and examine four popular proprietary MLLMs: GPT-4o, GPT-4 Turbo, Gemini 1.5 Pro, and Claude 3.5 Sonnet, and four open models: InternVL2-8B, LLaVa-1.6 Mistral-7B, Phi-3.5-Vision, and Pixtral 12B. The above MLLMs are compared on three BP datasets: a set of original BP instances relying on synthetic, geometry-based images and two recent datasets based on real-world images, i.e., Bongard-HOI and Bongard-OpenWorld. The experiments reveal significant limitations of MLLMs in solving BPs. In particular, the models struggle to solve the classical set of synthetic BPs, despite their visual simplicity. Though their performance ameliorates on real-world concepts expressed in Bongard-HOI and Bongard-OpenWorld, the models still have difficulty in utilizing new information to improve their predictions, as well as utilizing a dialog context window effectively. To capture the reasons of performance discrepancy between synthetic and real-world AVR domains, we propose Bongard-RWR, a new BP dataset consisting of real-world images that translates concepts from hand-crafted synthetic BPs to real-world concepts. The MLLMs' results on Bongard-RWR suggest that their poor performance on classical BPs is not due to domain specificity but rather reflects their general AVR limitations.

Large Language Models (LLMs) are capable of transforming natural language domain descriptions into plausibly looking PDDL markup. However, ensuring that actions are consistent within domains still remains a challenging task. In this paper we present a novel concept to significantly improve the quality of LLM-generated PDDL models by performing automated consistency checking during the generation process. Although the proposed consistency checking strategies still can't guarantee absolute correctness of generated models, they can serve as valuable source of feedback reducing the amount of correction efforts expected from a human in the loop. We demonstrate the capabilities of our error detection approach on a number of classical and custom planning domains (logistics, gripper, tyreworld, household, pizza).

Conformal prediction is a widely used method to quantify the uncertainty of a classifier under the assumption of exchangeability (e.g., IID data). We generalize conformal prediction to the Hidden Markov Model (HMM) framework where the assumption of exchangeability is not valid. The key idea of the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti's Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework in both exchangeable and Markovian settings. In particular, while the lack of exchangeability introduced by Markovian samples constitutes a violation of a crucial assumption for classical conformal prediction, the proposed method views it as an advantage that can be exploited to improve the performance further. Detailed numerical and empirical results that complement the theoretical conclusions are provided to illustrate the practical feasibility of the proposed method.

Bangla Handwritten Digit recognition is a significant step forward in the development of Bangla OCR. However, intricate shape, structural likeness and distinctive composition style of Bangla digits makes it relatively challenging to distinguish. Thus, in this paper, we benchmarked four rigorous classifiers to recognize Bangla Handwritten Digit: K-Nearest Neighbor (KNN), Support Vector Machine (SVM), Random Forest (RF), and Gradient-Boosted Decision Trees (GBDT) based on three handcrafted feature extraction techniques: Histogram of Oriented Gradients (HOG), Local Binary Pattern (LBP), and Gabor filter on four publicly available Bangla handwriting digits datasets: NumtaDB, CMARTdb, Ekush and BDRW. Here, handcrafted feature extraction methods are used to extract features from the dataset image, which are then utilized to train machine learning classifiers to identify Bangla handwritten digits. We further fine-tuned the hyperparameters of the classification algorithms in order to acquire the finest Bangla handwritten digits recognition performance from these algorithms, and among all the models we employed, the HOG features combined with SVM model (HOG+SVM) attained the best performance metrics across all datasets. The recognition accuracy of the HOG+SVM method on the NumtaDB, CMARTdb, Ekush and BDRW datasets reached 93.32%, 98.08%, 95.68% and 89.68%, respectively as well as we compared the model performance with recent state-of-art methods.

Reinforcement Learning from Human Feedback (RLHF) has emerged as a critical approach for aligning large language models with human preferences, witnessing rapid algorithmic evolution through methods such as Proximal Policy Optimization (PPO), Direct Preference Optimization (DPO), REINFORCE Leave One-Out (RLOO), ReMax, and Group Relative Policy Optimization (GRPO). We present REINFORCE++, an enhanced variant of the classical REINFORCE algorithm that incorporates key optimization techniques from PPO while eliminating the need for a critic network. REINFORCE++ achieves three primary objectives: (1) simplicity (2) enhanced training stability, and (3) reduced computational overhead. Through extensive empirical evaluation, we demonstrate that REINFORCE++ exhibits superior stability compared to GRPO and achieves greater computational efficiency than PPO while maintaining comparable performance. The implementation is available at https://github.com/OpenRLHF/OpenRLHF.

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.

Part of the success of diffusion models stems from their ability to perform iterative refinement, i.e., repeatedly correcting outputs during generation. However, modern masked discrete diffusion lacks this capability: when a token is generated, it cannot be updated again, even when it introduces an error. Here, we address this limitation by introducing the remasking diffusion model (ReMDM) sampler, a method that can be applied to pretrained masked diffusion models in a principled way and that is derived from a discrete diffusion model with a custom remasking backward process. Most interestingly, ReMDM endows discrete diffusion with a form of inference-time compute scaling. By increasing the number of sampling steps, ReMDM generates natural language outputs that approach the quality of autoregressive models, whereas when the computation budget is limited, ReMDM better maintains quality. ReMDM also improves sample quality of masked diffusion models for discretized images, and in scientific domains such as molecule design, ReMDM facilitates diffusion guidance and pushes the Pareto frontier of controllability relative to classical masking and uniform noise diffusion. We provide the code along with a blog post on the project page: https://remdm.github.io.

Fine-tuning language models (LMs) has yielded success on diverse downstream tasks, but as LMs grow in size, backpropagation requires a prohibitively large amount of memory. Zeroth-order (ZO) methods can in principle estimate gradients using only two forward passes but are theorized to be catastrophically slow for optimizing large models. In this work, we propose a memory-efficient zerothorder optimizer (MeZO), adapting the classical ZO-SGD method to operate in-place, thereby fine-tuning LMs with the same memory footprint as inference. For example, with a single A100 80GB GPU, MeZO can train a 30-billion parameter model, whereas fine-tuning with backpropagation can train only a 2.7B LM with the same budget. We conduct comprehensive experiments across model types (masked and autoregressive LMs), model scales (up to 66B), and downstream tasks (classification, multiple-choice, and generation). Our results demonstrate that (1) MeZO significantly outperforms in-context learning and linear probing; (2) MeZO achieves comparable performance to fine-tuning with backpropagation across multiple tasks, with up to 12x memory reduction; (3) MeZO is compatible with both full-parameter and parameter-efficient tuning techniques such as LoRA and prefix tuning; (4) MeZO can effectively optimize non-differentiable objectives (e.g., maximizing accuracy or F1). We support our empirical findings with theoretical insights, highlighting how adequate pre-training and task prompts enable MeZO to fine-tune huge models, despite classical ZO analyses suggesting otherwise.

Large multimodal language models have demonstrated impressive capabilities in understanding and manipulating images. However, many of these models struggle with comprehending intensive textual contents embedded within the images, primarily due to the limited text recognition and layout understanding ability. To understand the sources of these limitations, we perform an exploratory analysis showing the drawbacks of classical visual encoders on visual text understanding. Hence, we present LLaVA-Read, a multimodal large language model that utilizes dual visual encoders along with a visual text encoder. Our model surpasses existing state-of-the-art models in various text-rich image understanding tasks, showcasing enhanced comprehension of textual content within images. Together, our research suggests visual text understanding remains an open challenge and an efficient visual text encoder is crucial for future successful multimodal systems.

Evaluating and enhancing the general capabilities of large language models (LLMs) has been an important research topic. Graph is a common data structure in the real world, and understanding graph data is a crucial part for advancing general intelligence. To evaluate and enhance the graph understanding abilities of LLMs, in this paper, we propose a benchmark named GraphInstruct, which comprehensively includes 21 classical graph reasoning tasks, providing diverse graph generation pipelines and detailed reasoning steps. Based on GraphInstruct, we further construct GraphLM through efficient instruction-tuning, which shows prominent graph understanding capability. In order to enhance the LLM with graph reasoning capability as well, we propose a step mask training strategy, and construct a model named GraphLM+. As one of the pioneering efforts to enhance the graph understanding and reasoning abilities of LLMs, extensive experiments have demonstrated the superiority of GraphLM and GraphLM+ over other LLMs. We look forward to more researchers exploring the potential of LLMs in the graph data mining domain through GraphInstruct. Our code for generating GraphInstruct is released publicly at: https://github.com/CGCL-codes/GraphInstruct.

Test-Time Scaling (TTS) is a promising approach to progressively elicit the model's intelligence during inference. Recently, training-based TTS methods, such as continued reinforcement learning (RL), have further surged in popularity, while training-free TTS methods are gradually fading from prominence. However, the additional computation overhead of training amplifies the burden on test-time scaling. In this paper, we focus on training-free TTS methods for reasoning. We first design Conditional Step-level Self-refinement, a fine-grained sequential scaling method guided by process verification. On top of its effectiveness, we further combine it with other classical parallel scaling methods at the step level, to introduce a novel inference paradigm called Hybrid Test-Time Scaling. Extensive experiments on five instruction-tuned LLMs across different scales (3B-14B) and families demonstrate that hybrid strategy incorporating various training-free TTS methods at a fine granularity has considerable potential for expanding the reasoning performance boundaries of LLMs.

Generative models have demonstrated remarkable success in domains such as text, image, and video synthesis. In this work, we explore the application of generative models to fluid dynamics, specifically for turbulence simulation, where classical numerical solvers are computationally expensive. We propose a novel stochastic generative model based on stochastic interpolants, which enables probabilistic forecasting while incorporating physical constraints such as energy stability and divergence-freeness. Unlike conventional stochastic generative models, which are often agnostic to underlying physical laws, our approach embeds energy consistency by making the parameters of the stochastic interpolant learnable coefficients. We evaluate our method on a benchmark turbulence problem - Kolmogorov flow - demonstrating superior accuracy and stability over state-of-the-art alternatives such as autoregressive conditional diffusion models (ACDMs) and PDE-Refiner. Furthermore, we achieve stable results for significantly longer roll-outs than standard stochastic interpolants. Our results highlight the potential of physics-aware generative models in accelerating and enhancing turbulence simulations while preserving fundamental conservation properties.

The introduction of computerized medical records in hospitals has reduced burdensome operations like manual writing and information fetching. However, the data contained in medical records are still far underutilized, primarily because extracting them from unstructured textual medical records takes time and effort. Information Extraction, a subfield of Natural Language Processing, can help clinical practitioners overcome this limitation, using automated text-mining pipelines. In this work, we created the first Italian neuropsychiatric Named Entity Recognition dataset, PsyNIT, and used it to develop a Large Language Model for this task. Moreover, we conducted several experiments with three external independent datasets to implement an effective multicenter model, with overall F1-score 84.77%, Precision 83.16%, Recall 86.44%. The lessons learned are: (i) the crucial role of a consistent annotation process and (ii) a fine-tuning strategy that combines classical methods with a "few-shot" approach. This allowed us to establish methodological guidelines that pave the way for future implementations in this field and allow Italian hospitals to tap into important research opportunities.

Differently from the traditional statistical MT that decomposes the translation task into distinct separately learned components, neural machine translation uses a single neural network to model the entire translation process. Despite neural machine translation being de-facto standard, it is still not clear how NMT models acquire different competences over the course of training, and how this mirrors the different models in traditional SMT. In this work, we look at the competences related to three core SMT components and find that during training, NMT first focuses on learning target-side language modeling, then improves translation quality approaching word-by-word translation, and finally learns more complicated reordering patterns. We show that this behavior holds for several models and language pairs. Additionally, we explain how such an understanding of the training process can be useful in practice and, as an example, show how it can be used to improve vanilla non-autoregressive neural machine translation by guiding teacher model selection.

While Large Language Models (LLMs) exhibit remarkable generative capabilities, they are not without flaws, particularly in the form of hallucinations. This issue is even more pronounced when LLMs are applied to specific languages and domains. For example, LLMs may generate nonsense information when handling Chinese ancient poetry, proverbs, or idioms, owing to the lack of specific knowledge. To this end, this paper introduces a benchmark for rectifying Chinese knowledge in LLMs via knowledge editing. Specifically, we introduce a new Chinese dataset, CKnowEdit, by collecting seven type of knowledge from various sources, including classical texts, idioms, and content from Baidu Tieba Ruozhiba, thereby accounting for the unique polyphony, antithesis, and logical constructs inherent in the Chinese language. Through the analysis of this dataset, we uncover the challenges faced by current LLMs in mastering Chinese. Furthermore, our evaluation of state-of-the-art knowledge editing techniques on this dataset unveil the substantial scope for advancement in the rectification of Chinese knowledge. Code and dataset are available at https://github.com/zjunlp/EasyEdit.

Large language models (LLMs) have demonstrated impressive results in developing generalist planning agents for diverse tasks. However, grounding these plans in expansive, multi-floor, and multi-room environments presents a significant challenge for robotics. We introduce SayPlan, a scalable approach to LLM-based, large-scale task planning for robotics using 3D scene graph (3DSG) representations. To ensure the scalability of our approach, we: (1) exploit the hierarchical nature of 3DSGs to allow LLMs to conduct a semantic search for task-relevant subgraphs from a smaller, collapsed representation of the full graph; (2) reduce the planning horizon for the LLM by integrating a classical path planner and (3) introduce an iterative replanning pipeline that refines the initial plan using feedback from a scene graph simulator, correcting infeasible actions and avoiding planning failures. We evaluate our approach on two large-scale environments spanning up to 3 floors, 36 rooms and 140 objects, and show that our approach is capable of grounding large-scale, long-horizon task plans from abstract, and natural language instruction for a mobile manipulator robot to execute.

Although large language models (LLMs) have demonstrated strong reasoning abilities in structured tasks (e.g., coding and mathematics), it remains unexplored whether these abilities extend to strategic multi-agent environments. We investigate strategic reasoning capabilities -- the process of choosing an optimal course of action by predicting and adapting to others' actions -- of LLMs by analyzing their performance in three classical games from behavioral economics. We evaluate three standard LLMs (ChatGPT-4, Claude-2.1, Gemini 1.5) and three specialized reasoning LLMs (GPT-o1, Claude-3.5-Sonnet, Gemini Flash Thinking 2.0) using hierarchical models of bounded rationality. Our results show that reasoning LLMs exhibit superior strategic reasoning compared to standard LLMs (which do not demonstrate substantial capabilities), and often match or exceed human performance. Since strategic reasoning is fundamental to future AI systems (including Agentic AI and Artificial General Intelligence), our findings demonstrate the importance of dedicated reasoning capabilities in achieving effective strategic reasoning.

Text summarization (TS) is a natural language processing (NLP) subtask pertaining to the automatic formulation of a concise and coherent summary that covers the major concepts and topics from one or multiple documents. Recent advancements in deep learning have led to the development of abstractive summarization transformer-based models, which outperform classical approaches. In any case, research in this field focuses on high resource languages such as English, while the corresponding work for low resource languages is still underdeveloped. Taking the above into account, this paper proposes a series of novel TS models for Greek news articles. The proposed models were thoroughly evaluated on the same dataset against GreekBART, which is the state-of-the-art model in Greek abstractive news summarization. Our evaluation results reveal that most of the proposed models significantly outperform GreekBART on various evaluation metrics. We make our evaluation code public, aiming to increase the reproducibility of this work and facilitate future research in the field.

Semantic segmentation has made significant progress in recent years thanks to deep neural networks, but the common objective of generating a single segmentation output that accurately matches the image's content may not be suitable for safety-critical domains such as medical diagnostics and autonomous driving. Instead, multiple possible correct segmentation maps may be required to reflect the true distribution of annotation maps. In this context, stochastic semantic segmentation methods must learn to predict conditional distributions of labels given the image, but this is challenging due to the typically multimodal distributions, high-dimensional output spaces, and limited annotation data. To address these challenges, we propose a conditional categorical diffusion model (CCDM) for semantic segmentation based on Denoising Diffusion Probabilistic Models. Our model is conditioned to the input image, enabling it to generate multiple segmentation label maps that account for the aleatoric uncertainty arising from divergent ground truth annotations. Our experimental results show that CCDM achieves state-of-the-art performance on LIDC, a stochastic semantic segmentation dataset, and outperforms established baselines on the classical segmentation dataset Cityscapes.

Following the rationale of end-to-end modeling, CTC, RNN-T or encoder-decoder-attention models for automatic speech recognition (ASR) use graphemes or grapheme-based subword units based on e.g. byte-pair encoding (BPE). The mapping from pronunciation to spelling is learned completely from data. In contrast to this, classical approaches to ASR employ secondary knowledge sources in the form of phoneme lists to define phonetic output labels and pronunciation lexica. In this work, we do a systematic comparison between grapheme- and phoneme-based output labels for an encoder-decoder-attention ASR model. We investigate the use of single phonemes as well as BPE-based phoneme groups as output labels of our model. To preserve a simplified and efficient decoder design, we also extend the phoneme set by auxiliary units to be able to distinguish homophones. Experiments performed on the Switchboard 300h and LibriSpeech benchmarks show that phoneme-based modeling is competitive to grapheme-based encoder-decoder-attention modeling.

PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms. PennyLane's core feature is the ability to compute gradients of variational quantum circuits in a way that is compatible with classical techniques such as backpropagation. PennyLane thus extends the automatic differentiation algorithms common in optimization and machine learning to include quantum and hybrid computations. A plugin system makes the framework compatible with any gate-based quantum simulator or hardware. We provide plugins for hardware providers including the Xanadu Cloud, Amazon Braket, and IBM Quantum, allowing PennyLane optimizations to be run on publicly accessible quantum devices. On the classical front, PennyLane interfaces with accelerated machine learning libraries such as TensorFlow, PyTorch, JAX, and Autograd. PennyLane can be used for the optimization of variational quantum eigensolvers, quantum approximate optimization, quantum machine learning models, and many other applications.

Multimodal Vision Language Models (VLMs) have emerged as a transformative topic at the intersection of computer vision and natural language processing, enabling machines to perceive and reason about the world through both visual and textual modalities. For example, models such as CLIP, Claude, and GPT-4V demonstrate strong reasoning and understanding abilities on visual and textual data and beat classical single modality vision models on zero-shot classification [93]. With their rapid advancements in research and growing popularity in various applications, we provide a comprehensive survey of VLMs. Specifically, we provide a systematic overview of VLMs in the following aspects: [1] model information of the major VLMs developed up to 2025; [2] the transition of VLM architectures and the newest VLM alignment methods; [3] summary and categorization of the popular benchmarks and evaluation metrics of VLMs; [4] the challenges and issues faced by current VLMs such as hallucination, alignment, fairness, and safety. Detailed collections including papers and model repository links are listed in https://github.com/zli12321/Vision-Language-Models-Overview.

Efficiently compiling quantum operations remains a major bottleneck in scaling quantum computing. Today's state-of-the-art methods achieve low compilation error by combining search algorithms with gradient-based parameter optimization, but they incur long runtimes and require multiple calls to quantum hardware or expensive classical simulations, making their scaling prohibitive. Recently, machine-learning models have emerged as an alternative, though they are currently restricted to discrete gate sets. Here, we introduce a multimodal denoising diffusion model that simultaneously generates a circuit's structure and its continuous parameters for compiling a target unitary. It leverages two independent diffusion processes, one for discrete gate selection and one for parameter prediction. We benchmark the model over different experiments, analyzing the method's accuracy across varying qubit counts, circuit depths, and proportions of parameterized gates. Finally, by exploiting its rapid circuit generation, we create large datasets of circuits for particular operations and use these to extract valuable heuristics that can help us discover new insights into quantum circuit synthesis.

Word Sense Disambiguation (WSD) is a historical task in computational linguistics that has received much attention over the years. However, with the advent of Large Language Models (LLMs), interest in this task (in its classical definition) has decreased. In this study, we evaluate the performance of various LLMs on the WSD task. We extend a previous benchmark (XL-WSD) to re-design two subtasks suitable for LLM: 1) given a word in a sentence, the LLM must generate the correct definition; 2) given a word in a sentence and a set of predefined meanings, the LLM must select the correct one. The extended benchmark is built using the XL-WSD and BabelNet. The results indicate that LLMs perform well in zero-shot learning but cannot surpass current state-of-the-art methods. However, a fine-tuned model with a medium number of parameters outperforms all other models, including the state-of-the-art.

This work studies the challenge of aligning large language models (LLMs) with offline preference data. We focus on alignment by Reinforcement Learning from Human Feedback (RLHF) in particular. While popular preference optimization methods exhibit good empirical performance in practice, they are not theoretically guaranteed to converge to the optimal policy and can provably fail when the data coverage is sparse by classical offline reinforcement learning (RL) results. On the other hand, a recent line of work has focused on theoretically motivated preference optimization methods with provable guarantees, but these are not computationally efficient for large-scale applications like LLM alignment. To bridge this gap, we propose SPAC, a new offline preference optimization method with self-play, inspired by the on-average pessimism technique from the offline RL literature, to be the first provable and scalable approach to LLM alignment. We both provide theoretical analysis for its convergence under single-policy concentrability for the general function approximation setting and demonstrate its competitive empirical performance for LLM alignment on a 7B Mistral model with Open LLM Leaderboard evaluations.

Given the importance of ancient Chinese in capturing the essence of rich historical and cultural heritage, the rapid advancements in Large Language Models (LLMs) necessitate benchmarks that can effectively evaluate their understanding of ancient contexts. To meet this need, we present AC-EVAL, an innovative benchmark designed to assess the advanced knowledge and reasoning capabilities of LLMs within the context of ancient Chinese. AC-EVAL is structured across three levels of difficulty reflecting different facets of language comprehension: general historical knowledge, short text understanding, and long text comprehension. The benchmark comprises 13 tasks, spanning historical facts, geography, social customs, art, philosophy, classical poetry and prose, providing a comprehensive assessment framework. Our extensive evaluation of top-performing LLMs, tailored for both English and Chinese, reveals a substantial potential for enhancing ancient text comprehension. By highlighting the strengths and weaknesses of LLMs, AC-EVAL aims to promote their development and application forward in the realms of ancient Chinese language education and scholarly research. The AC-EVAL data and evaluation code are available at https://github.com/yuting-wei/AC-EVAL.

Inspire therapy is an FDA-approved internal neurostimulation treatment for obstructive sleep apnea. However, not all patients respond to this therapy, posing a challenge even for experienced otolaryngologists to determine candidacy. This paper makes the first attempt to leverage both machine learning and deep learning techniques in discerning patient responsiveness to Inspire therapy using medical data and videos captured through Drug-Induced Sleep Endoscopy (DISE), an essential procedure for Inspire therapy. To achieve this, we gathered and annotated three datasets from 127 patients. Two of these datasets comprise endoscopic videos focused on the Base of the Tongue and Velopharynx. The third dataset composes the patient's clinical information. By utilizing these datasets, we benchmarked and compared the performance of six deep learning models and five classical machine learning algorithms. The results demonstrate the potential of employing machine learning and deep learning techniques to determine a patient's eligibility for Inspire therapy, paving the way for future advancements in this field.

In the field of neural data compression, the prevailing focus has been on optimizing algorithms for either classical distortion metrics, such as PSNR or SSIM, or human perceptual quality. With increasing amounts of data consumed by machines rather than humans, a new paradigm of machine-oriented compressionx2013which prioritizes the retention of features salient for machine perception over traditional human-centric criteriax2013has emerged, creating several new challenges to the development, evaluation, and deployment of systems utilizing lossy compression. In particular, it is unclear how different approaches to lossy compression will affect the performance of downstream machine perception tasks. To address this under-explored area, we evaluate various perception modelsx2013including image classification, image segmentation, speech recognition, and music source separationx2013under severe lossy compression. We utilize several popular codecs spanning conventional, neural, and generative compression architectures. Our results indicate three key findings: (1) using generative compression, it is feasible to leverage highly compressed data while incurring a negligible impact on machine perceptual quality; (2) machine perceptual quality correlates strongly with deep similarity metrics, indicating a crucial role of these metrics in the development of machine-oriented codecs; and (3) using lossy compressed datasets, (e.g. ImageNet) for pre-training can lead to counter-intuitive scenarios where lossy compression increases machine perceptual quality rather than degrading it. To encourage engagement on this growing area of research, our code and experiments are available at: https://github.com/danjacobellis/MPQ.

Existing deep-learning approaches to semantic column type annotation (CTA) have important shortcomings: they rely on semantic types which are fixed at training time; require a large number of training samples per type and incur large run-time inference costs; and their performance can degrade when evaluated on novel datasets, even when types remain constant. Large language models have exhibited strong zero-shot classification performance on a wide range of tasks and in this paper we explore their use for CTA. We introduce ArcheType, a simple, practical method for context sampling, prompt serialization, model querying, and label remapping, which enables large language models to solve CTA problems in a fully zero-shot manner. We ablate each component of our method separately, and establish that improvements to context sampling and label remapping provide the most consistent gains. ArcheType establishes a new state-of-the-art performance on zero-shot CTA benchmarks (including three new domain-specific benchmarks which we release along with this paper), and when used in conjunction with classical CTA techniques, it outperforms a SOTA DoDuo model on the fine-tuned SOTAB benchmark. Our code is available at https://github.com/penfever/ArcheType.

This research is the second phase in a series of investigations on developing an Optical Character Recognition (OCR) of Arabic historical documents and examining how different modeling procedures interact with the problem. The first research studied the effect of Transformers on our custom-built Arabic dataset. One of the downsides of the first research was the size of the training data, a mere 15000 images from our 30 million images, due to lack of resources. Also, we add an image enhancement layer, time and space optimization, and Post-Correction layer to aid the model in predicting the correct word for the correct context. Notably, we propose an end-to-end text recognition approach using Vision Transformers as an encoder, namely BEIT, and vanilla Transformer as a decoder, eliminating CNNs for feature extraction and reducing the model's complexity. The experiments show that our end-to-end model outperforms Convolutions Backbones. The model attained a CER of 4.46%.

In this paper, we explore the effects of language variants, data sizes, and fine-tuning task types in Arabic pre-trained language models. To do so, we build three pre-trained language models across three variants of Arabic: Modern Standard Arabic (MSA), dialectal Arabic, and classical Arabic, in addition to a fourth language model which is pre-trained on a mix of the three. We also examine the importance of pre-training data size by building additional models that are pre-trained on a scaled-down set of the MSA variant. We compare our different models to each other, as well as to eight publicly available models by fine-tuning them on five NLP tasks spanning 12 datasets. Our results suggest that the variant proximity of pre-training data to fine-tuning data is more important than the pre-training data size. We exploit this insight in defining an optimized system selection model for the studied tasks.

Developmental psychologists have spent decades devising experiments to test the intelligence and knowledge of infants and children, tracing the origin of crucial concepts and capacities. Moreover, experimental techniques in developmental psychology have been carefully designed to discriminate the cognitive capacities that underlie particular behaviors. We propose that using classical experiments from child development is a particularly effective way to probe the computational abilities of AI models, in general, and LLMs in particular. First, the methodological techniques of developmental psychology, such as the use of novel stimuli to control for past experience or control conditions to determine whether children are using simple associations, can be equally helpful for assessing the capacities of LLMs. In parallel, testing LLMs in this way can tell us whether the information that is encoded in text is sufficient to enable particular responses, or whether those responses depend on other kinds of information, such as information from exploration of the physical world. In this work we adapt classical developmental experiments to evaluate the capabilities of LaMDA, a large language model from Google. We propose a novel LLM Response Score (LRS) metric which can be used to evaluate other language models, such as GPT. We find that LaMDA generates appropriate responses that are similar to those of children in experiments involving social understanding, perhaps providing evidence that knowledge of these domains is discovered through language. On the other hand, LaMDA's responses in early object and action understanding, theory of mind, and especially causal reasoning tasks are very different from those of young children, perhaps showing that these domains require more real-world, self-initiated exploration and cannot simply be learned from patterns in language input.

Tabular data is prevalent across diverse domains in machine learning. While classical methods like tree-based models have long been effective, Deep Neural Network (DNN)-based methods have recently demonstrated promising performance. However, the diverse characteristics of methods and the inherent heterogeneity of tabular datasets make understanding and interpreting tabular methods both challenging and prone to unstable observations. In this paper, we conduct in-depth evaluations and comprehensive analyses of tabular methods, with a particular focus on DNN-based models, using a benchmark of over 300 tabular datasets spanning a wide range of task types, sizes, and domains. First, we perform an extensive comparison of 32 state-of-the-art deep and tree-based methods, evaluating their average performance across multiple criteria. Although method ranks vary across datasets, we empirically find that top-performing methods tend to concentrate within a small subset of tabular models, regardless of the criteria used. Next, we investigate whether the training dynamics of deep tabular models can be predicted based on dataset properties. This approach not only offers insights into the behavior of deep tabular methods but also identifies a core set of "meta-features" that reflect dataset heterogeneity. The other subset includes datasets where method ranks are consistent with the overall benchmark, acting as a reliable probe for further tabular analysis.

When experiencing an information need, users want to engage with a domain expert, but often turn to an information retrieval system, such as a search engine, instead. Classical information retrieval systems do not answer information needs directly, but instead provide references to (hopefully authoritative) answers. Successful question answering systems offer a limited corpus created on-demand by human experts, which is neither timely nor scalable. Pre-trained language models, by contrast, are capable of directly generating prose that may be responsive to an information need, but at present they are dilettantes rather than domain experts -- they do not have a true understanding of the world, they are prone to hallucinating, and crucially they are incapable of justifying their utterances by referring to supporting documents in the corpus they were trained over. This paper examines how ideas from classical information retrieval and pre-trained language models can be synthesized and evolved into systems that truly deliver on the promise of domain expert advice.

We target a 3D generative model for general natural scenes that are typically unique and intricate. Lacking the necessary volumes of training data, along with the difficulties of having ad hoc designs in presence of varying scene characteristics, renders existing setups intractable. Inspired by classical patch-based image models, we advocate for synthesizing 3D scenes at the patch level, given a single example. At the core of this work lies important algorithmic designs w.r.t the scene representation and generative patch nearest-neighbor module, that address unique challenges arising from lifting classical 2D patch-based framework to 3D generation. These design choices, on a collective level, contribute to a robust, effective, and efficient model that can generate high-quality general natural scenes with both realistic geometric structure and visual appearance, in large quantities and varieties, as demonstrated upon a variety of exemplar scenes.

Large Language Models (LLMs) are evolving beyond their classical role of providing information within dialogue systems to actively engaging with tools and performing actions on real-world applications and services. Today, humans verify the correctness and appropriateness of the LLM-generated outputs (e.g., code, functions, or actions) before putting them into real-world execution. This poses significant challenges as code comprehension is well known to be notoriously difficult. In this paper, we study how humans can efficiently collaborate with, delegate to, and supervise autonomous LLMs in the future. We argue that in many cases, "post-facto validation" - verifying the correctness of a proposed action after seeing the output - is much easier than the aforementioned "pre-facto validation" setting. The core concept behind enabling a post-facto validation system is the integration of an intuitive undo feature, and establishing a damage confinement for the LLM-generated actions as effective strategies to mitigate the associated risks. Using this, a human can now either revert the effect of an LLM-generated output or be confident that the potential risk is bounded. We believe this is critical to unlock the potential for LLM agents to interact with applications and services with limited (post-facto) human involvement. We describe the design and implementation of our open-source runtime for executing LLM actions, Gorilla Execution Engine (GoEX), and present open research questions towards realizing the goal of LLMs and applications interacting with each other with minimal human supervision. We release GoEX at https://github.com/ShishirPatil/gorilla/.

Zero-shot learning (ZSL) addresses the unseen class recognition problem by leveraging semantic information to transfer knowledge from seen classes to unseen classes. Generative models synthesize the unseen visual features and convert ZSL into a classical supervised learning problem. These generative models are trained using the seen classes and are expected to implicitly transfer the knowledge from seen to unseen classes. However, their performance is stymied by overfitting, which leads to substandard performance on Generalized Zero-Shot learning (GZSL). To address this concern, we propose the novel LsrGAN, a generative model that Leverages the Semantic Relationship between seen and unseen categories and explicitly performs knowledge transfer by incorporating a novel Semantic Regularized Loss (SR-Loss). The SR-loss guides the LsrGAN to generate visual features that mirror the semantic relationships between seen and unseen classes. Experiments on seven benchmark datasets, including the challenging Wikipedia text-based CUB and NABirds splits, and Attribute-based AWA, CUB, and SUN, demonstrates the superiority of the LsrGAN compared to previous state-of-the-art approaches under both ZSL and GZSL. Code is available at https: // github. com/ Maunil/ LsrGAN

We introduce a novel approach for building language models based on a systematic, recursive exploration of skip n-gram models which are interpolated using modified Kneser-Ney smoothing. Our approach generalizes language models as it contains the classical interpolation with lower order models as a special case. In this paper we motivate, formalize and present our approach. In an extensive empirical experiment over English text corpora we demonstrate that our generalized language models lead to a substantial reduction of perplexity between 3.1% and 12.7% in comparison to traditional language models using modified Kneser-Ney smoothing. Furthermore, we investigate the behaviour over three other languages and a domain specific corpus where we observed consistent improvements. Finally, we also show that the strength of our approach lies in its ability to cope in particular with sparse training data. Using a very small training data set of only 736 KB text we yield improvements of even 25.7% reduction of perplexity.

Diffusion models are generative models with impressive text-to-image synthesis capabilities and have spurred a new wave of creative methods for classical machine learning tasks. However, the best way to harness the perceptual knowledge of these generative models for visual tasks is still an open question. Specifically, it is unclear how to use the prompting interface when applying diffusion backbones to vision tasks. We find that automatically generated captions can improve text-image alignment and significantly enhance a model's cross-attention maps, leading to better perceptual performance. Our approach improves upon the current SOTA in diffusion-based semantic segmentation on ADE20K and the current overall SOTA in depth estimation on NYUv2. Furthermore, our method generalizes to the cross-domain setting; we use model personalization and caption modifications to align our model to the target domain and find improvements over unaligned baselines. Our object detection model, trained on Pascal VOC, achieves SOTA results on Watercolor2K. Our segmentation method, trained on Cityscapes, achieves SOTA results on Dark Zurich-val and Nighttime Driving. Project page: https://www.vision.caltech.edu/tadp/

Classical methods to simulate quantum systems are not only a key element of the physicist's toolkit for studying many-body models but are also increasingly important for verifying and challenging upcoming quantum computers. Pauli propagation has recently emerged as a promising new family of classical algorithms for simulating digital quantum systems. Here we provide a comprehensive account of Pauli propagation, tracing its algorithmic structure from its bit-level implementation and formulation as a tree-search problem, all the way to its high-level user applications for simulating quantum circuits and dynamics. Utilising these observations, we present PauliPropagation.jl, a Julia software package that can perform rapid Pauli propagation simulation straight out-of-the-box and can be used more generally as a building block for novel simulation algorithms.

We release S\={a}mayik, a dataset of around 53,000 parallel English-Sanskrit sentences, written in contemporary prose. Sanskrit is a classical language still in sustenance and has a rich documented heritage. However, due to the limited availability of digitized content, it still remains a low-resource language. Existing Sanskrit corpora, whether monolingual or bilingual, have predominantly focused on poetry and offer limited coverage of contemporary written materials. S\={a}mayik is curated from a diverse range of domains, including language instruction material, textual teaching pedagogy, and online tutorials, among others. It stands out as a unique resource that specifically caters to the contemporary usage of Sanskrit, with a primary emphasis on prose writing. Translation models trained on our dataset demonstrate statistically significant improvements when translating out-of-domain contemporary corpora, outperforming models trained on older classical-era poetry datasets. Finally, we also release benchmark models by adapting four multilingual pre-trained models, three of them have not been previously exposed to Sanskrit for translating between English and Sanskrit while one of them is multi-lingual pre-trained translation model including English and Sanskrit. The dataset and source code is present at https://github.com/ayushbits/saamayik.

Visual search is a ubiquitous and often challenging daily task, exemplified by looking for the car keys at home or a friend in a crowd. An intriguing property of some classical search tasks is an asymmetry such that finding a target A among distractors B can be easier than finding B among A. To elucidate the mechanisms responsible for asymmetry in visual search, we propose a computational model that takes a target and a search image as inputs and produces a sequence of eye movements until the target is found. The model integrates eccentricity-dependent visual recognition with target-dependent top-down cues. We compared the model against human behavior in six paradigmatic search tasks that show asymmetry in humans. Without prior exposure to the stimuli or task-specific training, the model provides a plausible mechanism for search asymmetry. We hypothesized that the polarity of search asymmetry arises from experience with the natural environment. We tested this hypothesis by training the model on augmented versions of ImageNet where the biases of natural images were either removed or reversed. The polarity of search asymmetry disappeared or was altered depending on the training protocol. This study highlights how classical perceptual properties can emerge in neural network models, without the need for task-specific training, but rather as a consequence of the statistical properties of the developmental diet fed to the model. All source code and data are publicly available at https://github.com/kreimanlab/VisualSearchAsymmetry.

Understanding and creating mathematics using natural mathematical language - the mixture of symbolic and natural language used by humans - is a challenging and important problem for driving progress in machine learning. As a step in this direction, we develop NaturalProofs, a multi-domain corpus of mathematical statements and their proofs, written in natural mathematical language. NaturalProofs unifies broad coverage, deep coverage, and low-resource mathematical sources, allowing for evaluating both in-distribution and zero-shot generalization. Using NaturalProofs, we benchmark strong neural methods on mathematical reference retrieval and generation tasks which test a system's ability to determine key results that appear in a proof. Large-scale sequence models show promise compared to classical information retrieval methods, yet their performance and out-of-domain generalization leave substantial room for improvement. NaturalProofs opens many avenues for research on challenging mathematical tasks.

Background: Human Emotion Recognition (HER) has been a popular field of study in the past years. Despite the great progresses made so far, relatively little attention has been paid to the use of HER in autism. People with autism are known to face problems with daily social communication and the prototypical interpretation of emotional responses, which are most frequently exerted via facial expressions. This poses significant practical challenges to the application of regular HER systems, which are normally developed for and by neurotypical people. Objective: This study reviews the literature on the use of HER systems in autism, particularly with respect to sensing technologies and machine learning methods, as to identify existing barriers and possible future directions. Methods: We conducted a systematic review of articles published between January 2011 and June 2023 according to the 2020 PRISMA guidelines. Manuscripts were identified through searching Web of Science and Scopus databases. Manuscripts were included when related to emotion recognition, used sensors and machine learning techniques, and involved children with autism, young, or adults. Results: The search yielded 346 articles. A total of 65 publications met the eligibility criteria and were included in the review. Conclusions: Studies predominantly used facial expression techniques as the emotion recognition method. Consequently, video cameras were the most widely used devices across studies, although a growing trend in the use of physiological sensors was observed lately. Happiness, sadness, anger, fear, disgust, and surprise were most frequently addressed. Classical supervised machine learning techniques were primarily used at the expense of unsupervised approaches or more recent deep learning models.

Low-quality or scarce data has posed significant challenges for training deep neural networks in practice. While classical data augmentation cannot contribute very different new data, diffusion models opens up a new door to build self-evolving AI by generating high-quality and diverse synthetic data through text-guided prompts. However, text-only guidance cannot control synthetic images' proximity to the original images, resulting in out-of-distribution data detrimental to the model performance. To overcome the limitation, we study image guidance to achieve a spectrum of interpolations between synthetic and real images. With stronger image guidance, the generated images are similar to the training data but hard to learn. While with weaker image guidance, the synthetic images will be easier for model but contribute to a larger distribution gap with the original data. The generated full spectrum of data enables us to build a novel "Diffusion Curriculum (DisCL)". DisCL adjusts the image guidance level of image synthesis for each training stage: It identifies and focuses on hard samples for the model and assesses the most effective guidance level of synthetic images to improve hard data learning. We apply DisCL to two challenging tasks: long-tail (LT) classification and learning from low-quality data. It focuses on lower-guidance images of high-quality to learn prototypical features as a warm-up of learning higher-guidance images that might be weak on diversity or quality. Extensive experiments showcase a gain of 2.7% and 2.1% in OOD and ID macro-accuracy when applying DisCL to iWildCam dataset. On ImageNet-LT, DisCL improves the base model's tail-class accuracy from 4.4% to 23.64% and leads to a 4.02% improvement in all-class accuracy.

We identify and overcome two key obstacles in extending the success of BERT-style pre-training, or the masked image modeling, to convolutional networks (convnets): (i) convolution operation cannot handle irregular, random-masked input images; (ii) the single-scale nature of BERT pre-training is inconsistent with convnet's hierarchical structure. For (i), we treat unmasked pixels as sparse voxels of 3D point clouds and use sparse convolution to encode. This is the first use of sparse convolution for 2D masked modeling. For (ii), we develop a hierarchical decoder to reconstruct images from multi-scale encoded features. Our method called Sparse masKed modeling (SparK) is general: it can be used directly on any convolutional model without backbone modifications. We validate it on both classical (ResNet) and modern (ConvNeXt) models: on three downstream tasks, it surpasses both state-of-the-art contrastive learning and transformer-based masked modeling by similarly large margins (around +1.0%). Improvements on object detection and instance segmentation are more substantial (up to +3.5%), verifying the strong transferability of features learned. We also find its favorable scaling behavior by observing more gains on larger models. All this evidence reveals a promising future of generative pre-training on convnets. Codes and models are released at https://github.com/keyu-tian/SparK.

Multi-party Conversational Agents (MPCAs) are systems designed to engage in dialogue with more than two participants simultaneously. Unlike traditional two-party agents, designing MPCAs faces additional challenges due to the need to interpret both utterance semantics and social dynamics. This survey explores recent progress in MPCAs by addressing three key questions: 1) Can agents model each participants' mental states? (State of Mind Modeling); 2) Can they properly understand the dialogue content? (Semantic Understanding); and 3) Can they reason about and predict future conversation flow? (Agent Action Modeling). We review methods ranging from classical machine learning to Large Language Models (LLMs) and multi-modal systems. Our analysis underscores Theory of Mind (ToM) as essential for building intelligent MPCAs and highlights multi-modal understanding as a promising yet underexplored direction. Finally, this survey offers guidance to future researchers on developing more capable MPCAs.

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain competitive results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

A great number of deep learning based models have been recently proposed for automatic music composition. Among these models, the Transformer stands out as a prominent approach for generating expressive classical piano performance with a coherent structure of up to one minute. The model is powerful in that it learns abstractions of data on its own, without much human-imposed domain knowledge or constraints. In contrast with this general approach, this paper shows that Transformers can do even better for music modeling, when we improve the way a musical score is converted into the data fed to a Transformer model. In particular, we seek to impose a metrical structure in the input data, so that Transformers can be more easily aware of the beat-bar-phrase hierarchical structure in music. The new data representation maintains the flexibility of local tempo changes, and provides hurdles to control the rhythmic and harmonic structure of music. With this approach, we build a Pop Music Transformer that composes Pop piano music with better rhythmic structure than existing Transformer models.

Recent advances in language modeling using deep neural networks have shown that these models learn representations, that vary with the network depth from morphology to semantic relationships like co-reference. We apply pre-trained language models to low-resource named entity recognition for Historic German. We show on a series of experiments that character-based pre-trained language models do not run into trouble when faced with low-resource datasets. Our pre-trained character-based language models improve upon classical CRF-based methods and previous work on Bi-LSTMs by boosting F1 score performance by up to 6%. Our pre-trained language and NER models are publicly available under https://github.com/stefan-it/historic-ner .

The privacy in classical federated learning can be breached through the use of local gradient results along with engineered queries to the clients. However, quantum communication channels are considered more secure because a measurement on the channel causes a loss of information, which can be detected by the sender. Therefore, the quantum version of federated learning can be used to provide more privacy. Additionally, sending an N dimensional data vector through a quantum channel requires sending log N entangled qubits, which can potentially provide exponential efficiency if the data vector is utilized as quantum states. In this paper, we propose a quantum federated learning model where fixed design quantum chips are operated based on the quantum states sent by a centralized server. Based on the coming superposition states, the clients compute and then send their local gradients as quantum states to the server, where they are aggregated to update parameters. Since the server does not send model parameters, but instead sends the operator as a quantum state, the clients are not required to share the model. This allows for the creation of asynchronous learning models. In addition, the model as a quantum state is fed into client-side chips directly; therefore, it does not require measurements on the upcoming quantum state to obtain model parameters in order to compute gradients. This can provide efficiency over the models where the parameter vector is sent via classical or quantum channels and local gradients are obtained through the obtained values of these parameters.

Reasoning is a fundamental substrate for solving novel and complex problems. Deliberate efforts in learning and developing frameworks around System 2 reasoning have made great strides, yet problems of sufficient complexity remain largely out of reach for open models. To address this gap, we examine the potential of Generative Flow Networks as a fine-tuning method for LLMs to unlock advanced reasoning capabilities. In this paper, we present a proof of concept in the domain of formal reasoning, specifically in the Neural Theorem Proving (NTP) setting, where proofs specified in a formal language such as Lean can be deterministically and objectively verified. Unlike classical reward-maximization reinforcement learning, which frequently over-exploits high-reward actions and fails to effectively explore the state space, GFlowNets have emerged as a promising approach for sampling compositional objects, improving generalization, and enabling models to maintain diverse hypotheses. Our early results demonstrate GFlowNet fine-tuning's potential for enhancing model performance in a search setting, which is especially relevant given the paradigm shift towards inference time compute scaling and "thinking slowly."

Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combines the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method. Code is available at https://github.com/HJ-harry/DDS

The latest Deep Learning (DL) models for detection and classification have achieved an unprecedented performance over classical machine learning algorithms. However, DL models are black-box methods hard to debug, interpret, and certify. DL alone cannot provide explanations that can be validated by a non technical audience. In contrast, symbolic AI systems that convert concepts into rules or symbols -- such as knowledge graphs -- are easier to explain. However, they present lower generalisation and scaling capabilities. A very important challenge is to fuse DL representations with expert knowledge. One way to address this challenge, as well as the performance-explainability trade-off is by leveraging the best of both streams without obviating domain expert knowledge. We tackle such problem by considering the symbolic knowledge is expressed in form of a domain expert knowledge graph. We present the eXplainable Neural-symbolic learning (X-NeSyL) methodology, designed to learn both symbolic and deep representations, together with an explainability metric to assess the level of alignment of machine and human expert explanations. The ultimate objective is to fuse DL representations with expert domain knowledge during the learning process to serve as a sound basis for explainability. X-NeSyL methodology involves the concrete use of two notions of explanation at inference and training time respectively: 1) EXPLANet: Expert-aligned eXplainable Part-based cLAssifier NETwork Architecture, a compositional CNN that makes use of symbolic representations, and 2) SHAP-Backprop, an explainable AI-informed training procedure that guides the DL process to align with such symbolic representations in form of knowledge graphs. We showcase X-NeSyL methodology using MonuMAI dataset for monument facade image classification, and demonstrate that our approach improves explainability and performance.

Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.

Using parts of existing models to rebuild new models, commonly termed as example-based modeling, is a classical methodology in the realm of computer graphics. Previous works mostly focus on shape composition, making them very hard to use for realistic composition of 3D objects captured from real-world scenes. This leads to combining multiple NeRFs into a single 3D scene to achieve seamless appearance blending. However, the current SeamlessNeRF method struggles to achieve interactive editing and harmonious stitching for real-world scenes due to its gradient-based strategy and grid-based representation. To this end, we present an example-based modeling method that combines multiple Gaussian fields in a point-based representation using sample-guided synthesis. Specifically, as for composition, we create a GUI to segment and transform multiple fields in real time, easily obtaining a semantically meaningful composition of models represented by 3D Gaussian Splatting (3DGS). For texture blending, due to the discrete and irregular nature of 3DGS, straightforwardly applying gradient propagation as SeamlssNeRF is not supported. Thus, a novel sampling-based cloning method is proposed to harmonize the blending while preserving the original rich texture and content. Our workflow consists of three steps: 1) real-time segmentation and transformation of a Gaussian model using a well-tailored GUI, 2) KNN analysis to identify boundary points in the intersecting area between the source and target models, and 3) two-phase optimization of the target model using sampling-based cloning and gradient constraints. Extensive experimental results validate that our approach significantly outperforms previous works in terms of realistic synthesis, demonstrating its practicality. More demos are available at https://ingra14m.github.io/gs_stitching_website.

We present OpenDCVCs, an open-source PyTorch implementation designed to advance reproducible research in learned video compression. OpenDCVCs provides unified and training-ready implementations of four representative Deep Contextual Video Compression (DCVC) models--DCVC, DCVC with Temporal Context Modeling (DCVC-TCM), DCVC with Hybrid Entropy Modeling (DCVC-HEM), and DCVC with Diverse Contexts (DCVC-DC). While the DCVC series achieves substantial bitrate reductions over both classical codecs and advanced learned models, previous public code releases have been limited to evaluation codes, presenting significant barriers to reproducibility, benchmarking, and further development. OpenDCVCs bridges this gap by offering a comprehensive, self-contained framework that supports both end-to-end training and evaluation for all included algorithms. The implementation includes detailed documentation, evaluation protocols, and extensive benchmarking results across diverse datasets, providing a transparent and consistent foundation for comparison and extension. All code and experimental tools are publicly available at https://gitlab.com/viper-purdue/opendcvcs, empowering the community to accelerate research and foster collaboration.

Recent advancements in Large Language Models (LLMs) have demonstrated their potential in planning and reasoning tasks, offering a flexible alternative to classical pathfinding algorithms. However, most existing studies focus on LLMs' independent reasoning capabilities and overlook the potential synergy between LLMs and traditional algorithms. To fill this gap, we propose a comprehensive evaluation benchmark GridRoute to assess how LLMs can take advantage of traditional algorithms. We also propose a novel hybrid prompting technique called Algorithm of Thought (AoT), which introduces traditional algorithms' guidance into prompting. Our benchmark evaluates six LLMs ranging from 7B to 72B parameters across various map sizes, assessing their performance in correctness, optimality, and efficiency in grid environments with varying sizes. Our results show that AoT significantly boosts performance across all model sizes, particularly in larger or more complex environments, suggesting a promising approach to addressing path planning challenges. Our code is open-sourced at https://github.com/LinChance/GridRoute.

Tweedie distributions are a special case of exponential dispersion models, which are often used in classical statistics as distributions for generalized linear models. Here, we reveal that Tweedie distributions also play key roles in modern deep learning era, leading to a distribution independent self-supervised image denoising formula without clean reference images. Specifically, by combining with the recent Noise2Score self-supervised image denoising approach and the saddle point approximation of Tweedie distribution, we can provide a general closed-form denoising formula that can be used for large classes of noise distributions without ever knowing the underlying noise distribution. Similar to the original Noise2Score, the new approach is composed of two successive steps: score matching using perturbed noisy images, followed by a closed form image denoising formula via distribution-independent Tweedie's formula. This also suggests a systematic algorithm to estimate the noise model and noise parameters for a given noisy image data set. Through extensive experiments, we demonstrate that the proposed method can accurately estimate noise models and parameters, and provide the state-of-the-art self-supervised image denoising performance in the benchmark dataset and real-world dataset.

Recently, Computer-Aided Diagnosis (CAD) systems have emerged as indispensable tools in clinical diagnostic workflows, significantly alleviating the burden on radiologists. Nevertheless, despite their integration into clinical settings, CAD systems encounter limitations. Specifically, while CAD systems can achieve high performance in the detection of lung nodules, they face challenges in accurately predicting multiple cancer types. This limitation can be attributed to the scarcity of publicly available datasets annotated with expert-level cancer type information. This research aims to bridge this gap by providing publicly accessible datasets and reliable tools for medical diagnosis, facilitating a finer categorization of different types of lung diseases so as to offer precise treatment recommendations. To achieve this objective, we curated a diverse dataset of lung Computed Tomography (CT) images, comprising 330 annotated nodules (nodules are labeled as bounding boxes) from 95 distinct patients. The quality of the dataset was evaluated using a variety of classical classification and detection models, and these promising results demonstrate that the dataset has a feasible application and further facilitate intelligent auxiliary diagnosis.

Understanding narratives requires reasoning about the cause-and-effect relationships between events mentioned in the text. While existing foundation models yield impressive results in many NLP tasks requiring reasoning, it is unclear whether they understand the complexity of the underlying network of causal relationships of events in narratives. In this work, we present CRAB, a new Causal Reasoning Assessment Benchmark designed to evaluate causal understanding of events in real-world narratives. CRAB contains fine-grained, contextual causality annotations for ~2.7K pairs of real-world events that describe various newsworthy event timelines (e.g., the acquisition of Twitter by Elon Musk). Using CRAB, we measure the performance of several large language models, demonstrating that most systems achieve poor performance on the task. Motivated by classical causal principles, we also analyze the causal structures of groups of events in CRAB, and find that models perform worse on causal reasoning when events are derived from complex causal structures compared to simple linear causal chains. We make our dataset and code available to the research community.

We provide conceptual and mathematical foundations for near-term quantum natural language processing (QNLP), and do so in quantum computer scientist friendly terms. We opted for an expository presentation style, and provide references for supporting empirical evidence and formal statements concerning mathematical generality. We recall how the quantum model for natural language that we employ canonically combines linguistic meanings with rich linguistic structure, most notably grammar. In particular, the fact that it takes a quantum-like model to combine meaning and structure, establishes QNLP as quantum-native, on par with simulation of quantum systems. Moreover, the now leading Noisy Intermediate-Scale Quantum (NISQ) paradigm for encoding classical data on quantum hardware, variational quantum circuits, makes NISQ exceptionally QNLP-friendly: linguistic structure can be encoded as a free lunch, in contrast to the apparently exponentially expensive classical encoding of grammar. Quantum speed-up for QNLP tasks has already been established in previous work with Will Zeng. Here we provide a broader range of tasks which all enjoy the same advantage. Diagrammatic reasoning is at the heart of QNLP. Firstly, the quantum model interprets language as quantum processes via the diagrammatic formalism of categorical quantum mechanics. Secondly, these diagrams are via ZX-calculus translated into quantum circuits. Parameterisations of meanings then become the circuit variables to be learned. Our encoding of linguistic structure within quantum circuits also embodies a novel approach for establishing word-meanings that goes beyond the current standards in mainstream AI, by placing linguistic structure at the heart of Wittgenstein's meaning-is-context.

Large language models (LLMs) have demonstrated remarkable capabilities, especially the recent advancements in reasoning, such as o1 and o3, pushing the boundaries of AI. Despite these impressive achievements in mathematics and coding, the reasoning abilities of LLMs in domains requiring cryptographic expertise remain underexplored. In this paper, we introduce CipherBank, a comprehensive benchmark designed to evaluate the reasoning capabilities of LLMs in cryptographic decryption tasks. CipherBank comprises 2,358 meticulously crafted problems, covering 262 unique plaintexts across 5 domains and 14 subdomains, with a focus on privacy-sensitive and real-world scenarios that necessitate encryption. From a cryptographic perspective, CipherBank incorporates 3 major categories of encryption methods, spanning 9 distinct algorithms, ranging from classical ciphers to custom cryptographic techniques. We evaluate state-of-the-art LLMs on CipherBank, e.g., GPT-4o, DeepSeek-V3, and cutting-edge reasoning-focused models such as o1 and DeepSeek-R1. Our results reveal significant gaps in reasoning abilities not only between general-purpose chat LLMs and reasoning-focused LLMs but also in the performance of current reasoning-focused models when applied to classical cryptographic decryption tasks, highlighting the challenges these models face in understanding and manipulating encrypted data. Through detailed analysis and error investigations, we provide several key observations that shed light on the limitations and potential improvement areas for LLMs in cryptographic reasoning. These findings underscore the need for continuous advancements in LLM reasoning capabilities.

We study the problem of learning mixtures of Gaussians with censored data. Statistical learning with censored data is a classical problem, with numerous practical applications, however, finite-sample guarantees for even simple latent variable models such as Gaussian mixtures are missing. Formally, we are given censored data from a mixture of univariate Gaussians $sum_{i=1}^k w_i N(mu_i,sigma^2), i.e. the sample is observed only if it lies inside a set S. The goal is to learn the weights w_i and the means \mu_i. We propose an algorithm that takes only 1{\varepsilon^{O(k)}} samples to estimate the weights w_i and the means \mu_i within \varepsilon$ error.

Spiking Neural Networks (SNN) are a class of bio-inspired neural networks that promise to bring low-power and low-latency inference to edge devices through asynchronous and sparse processing. However, being temporal models, SNNs depend heavily on expressive states to generate predictions on par with classical artificial neural networks (ANNs). These states converge only after long transient periods, and quickly decay without input data, leading to higher latency, power consumption, and lower accuracy. This work addresses this issue by initializing the state with an auxiliary ANN running at a low rate. The SNN then uses the state to generate predictions with high temporal resolution until the next initialization phase. Our hybrid ANN-SNN model thus combines the best of both worlds: It does not suffer from long state transients and state decay thanks to the ANN, and can generate predictions with high temporal resolution, low latency, and low power thanks to the SNN. We show for the task of event-based 2D and 3D human pose estimation that our method consumes 88% less power with only a 4% decrease in performance compared to its fully ANN counterparts when run at the same inference rate. Moreover, when compared to SNNs, our method achieves a 74% lower error. This research thus provides a new understanding of how ANNs and SNNs can be used to maximize their respective benefits.

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) algorithms. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known SRBench benchmark.

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

We introduce NeuralProphet, a successor to Facebook Prophet, which set an industry standard for explainable, scalable, and user-friendly forecasting frameworks. With the proliferation of time series data, explainable forecasting remains a challenging task for business and operational decision making. Hybrid solutions are needed to bridge the gap between interpretable classical methods and scalable deep learning models. We view Prophet as a precursor to such a solution. However, Prophet lacks local context, which is essential for forecasting the near-term future and is challenging to extend due to its Stan backend. NeuralProphet is a hybrid forecasting framework based on PyTorch and trained with standard deep learning methods, making it easy for developers to extend the framework. Local context is introduced with auto-regression and covariate modules, which can be configured as classical linear regression or as Neural Networks. Otherwise, NeuralProphet retains the design philosophy of Prophet and provides the same basic model components. Our results demonstrate that NeuralProphet produces interpretable forecast components of equivalent or superior quality to Prophet on a set of generated time series. NeuralProphet outperforms Prophet on a diverse collection of real-world datasets. For short to medium-term forecasts, NeuralProphet improves forecast accuracy by 55 to 92 percent.

Detecting empathy from video interactions is an emerging area of research. Video datasets, however, are often released as extracted features (i.e., tabular data) rather than raw footage due to privacy and ethical concerns. Prior research on such tabular datasets established tree-based classical machine learning approaches as the best-performing models. Motivated by the recent success of textual foundation models (i.e., large language models), we explore the use of tabular foundation models in empathy detection from tabular visual features. We experiment with two recent tabular foundation models - TabPFN v2 and TabICL - through in-context learning and fine-tuning setups. Our experiments on a public human-robot interaction benchmark demonstrate a significant boost in cross-subject empathy detection accuracy over several strong baselines (accuracy: 0.590 rightarrow 0.730; AUC: 0.564 rightarrow 0.669). In addition to performance improvement, we contribute novel insights and an evaluation setup to ensure generalisation on unseen subjects in this public benchmark. As the practice of releasing video features as tabular datasets is likely to persist due to privacy constraints, our findings will be widely applicable to future empathy detection video datasets as well.

Large Language Models (LLMs), particularly those similar to ChatGPT, have significantly influenced the field of Natural Language Processing (NLP). While these models excel in general language tasks, their performance in domain-specific downstream tasks such as biomedical and clinical Named Entity Recognition (NER), Relation Extraction (RE), and Medical Natural Language Inference (NLI) is still evolving. In this context, our study investigates the potential of instruction tuning for biomedical language processing, applying this technique to two general LLMs of substantial scale. We present a comprehensive, instruction-based model trained on a dataset that consists of approximately 200,000 instruction-focused samples. This dataset represents a carefully curated compilation of existing data, meticulously adapted and reformatted to align with the specific requirements of our instruction-based tasks. This initiative represents an important step in utilising such models to achieve results on par with specialised encoder-only models like BioBERT and BioClinicalBERT for various classical biomedical NLP tasks. Our work includes an analysis of the dataset's composition and its impact on model performance, providing insights into the intricacies of instruction tuning. By sharing our codes, models, and the distinctively assembled instruction-based dataset, we seek to encourage ongoing research and development in this area.

We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the first on-policy approach that allows significantly more gradient updates than the number of energy evaluations and model samples, allowing us to scale to much larger problem settings than previously explored by similar methods. Our framework is theoretically grounded in stochastic optimal control and shares the same theoretical guarantees as Adjoint Matching, being able to train without the need for corrective measures that push samples towards the target distribution. We show how to incorporate key symmetries, as well as periodic boundary conditions, for modeling molecules in both cartesian and torsional coordinates. We demonstrate the effectiveness of our approach through extensive experiments on classical energy functions, and further scale up to neural network-based energy models where we perform amortized conformer generation across many molecular systems. To encourage further research in developing highly scalable sampling methods, we plan to open source these challenging benchmarks, where successful methods can directly impact progress in computational chemistry.

When fitting the learning data of an individual to algorithm-like learning models, the observations are so dependent and non-stationary that one may wonder what the classical Maximum Likelihood Estimator (MLE) could do, even if it is the usual tool applied to experimental cognition. Our objective in this work is to show that the estimation of the learning rate cannot be efficient if the learning rate is constant in the classical Exp3 (Exponential weights for Exploration and Exploitation) algorithm. Secondly, we show that if the learning rate decreases polynomially with the sample size, then the prediction error and in some cases the estimation error of the MLE satisfy bounds in probability that decrease at a polynomial rate.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

Recent advances in large language model (LLM) training have highlighted the need for diverse, high-quality instruction data. Recently, many works are exploring synthetic data generation using LLMs. However, they primarily focus on prompt engineering with standard supervised instruction-finetuned models, which contains a fundamental limitation: these models are optimized for general question-answering/problem-solving rather than data generation. We propose a paradigm shift named NOMAD by investigating how to specifically train models for data generation, demonstrating that this task differs significantly from training a classical LM. We identify two key factors: no-prompt-masked training and proper training set size selection. Our method, NOMAD, shows substantial improvements over baselines, achieving >4\% gains in TriviaQA and >2\% in GSM8K with limited training data. Finally, we offer new insights by interpreting synthetic data through the lenses of "relevance" and "novelty".

Artificial neural networks typically struggle in generalizing to out-of-context examples. One reason for this limitation is caused by having datasets that incorporate only partial information regarding the potential correlational structure of the world. In this work, we propose TIDA (Targeted Image-editing Data Augmentation), a targeted data augmentation method focused on improving models' human-like abilities (e.g., gender recognition) by filling the correlational structure gap using a text-to-image generative model. More specifically, TIDA identifies specific skills in captions describing images (e.g., the presence of a specific gender in the image), changes the caption (e.g., "woman" to "man"), and then uses a text-to-image model to edit the image in order to match the novel caption (e.g., uniquely changing a woman to a man while maintaining the context identical). Based on the Flickr30K benchmark, we show that, compared with the original data set, a TIDA-enhanced dataset related to gender, color, and counting abilities induces better performance in several image captioning metrics. Furthermore, on top of relying on the classical BLEU metric, we conduct a fine-grained analysis of the improvements of our models against the baseline in different ways. We compared text-to-image generative models and found different behaviors of the image captioning models in terms of encoding visual encoding and textual decoding.

This paper presents CLEAR, a retrieval model that seeks to complement classical lexical exact-match models such as BM25 with semantic matching signals from a neural embedding matching model. CLEAR explicitly trains the neural embedding to encode language structures and semantics that lexical retrieval fails to capture with a novel residual-based embedding learning method. Empirical evaluations demonstrate the advantages of CLEAR over state-of-the-art retrieval models, and that it can substantially improve the end-to-end accuracy and efficiency of reranking pipelines.

Time series has been left behind in the era of pre-training and transfer learning. While research in the fields of natural language processing and computer vision are enjoying progressively larger datasets to train massive models, the most popular time series datasets consist of only tens of thousands of time steps, limiting our ability to study the effectiveness of pre-training and scaling. Recent studies have also cast doubt on the need for expressive models and scale. To alleviate these issues, we introduce three large-scale time series forecasting datasets from the cloud operations (CloudOps) domain, the largest having billions of observations, enabling further study into pre-training and scaling of time series models. We build the empirical groundwork for studying pre-training and scaling of time series models and pave the way for future research by identifying a promising candidate architecture. We show that it is a strong zero-shot baseline and benefits from further scaling, both in model and dataset size. Accompanying these datasets and results is a suite of comprehensive benchmark results comparing classical and deep learning baselines to our pre-trained method - achieving a 27% reduction in error on the largest dataset. Code and datasets will be released.

We address the task of zero-shot fine-grained video classification, where no video examples or temporal annotations are available for unseen action classes. While contrastive vision-language models such as SigLIP demonstrate strong open-set recognition via mean-pooled image-text similarity, they fail to capture the temporal structure critical for distinguishing fine-grained activities. We introduce ActAlign, a zero-shot framework that formulates video classification as sequence alignment. For each class, a large language model generates an ordered sub-action sequence, which is aligned with video frames using Dynamic Time Warping (DTW) in a shared embedding space. Without any video-text supervision or fine-tuning, ActAlign achieves 30.5% accuracy on the extremely challenging ActionAtlas benchmark, where human accuracy is only 61.6%. ActAlign outperforms billion-parameter video-language models while using approximately 8x less parameters. These results demonstrate that structured language priors, combined with classical alignment techniques, offer a scalable and general approach to unlocking the open-set recognition potential of vision-language models for fine-grained video understanding.

Recent advancements in visual generation technologies have markedly increased the scale and availability of video datasets, which are crucial for training effective video generation models. However, a significant lack of high-quality, human-centric video datasets presents a challenge to progress in this field. To bridge this gap, we introduce OpenHumanVid, a large-scale and high-quality human-centric video dataset characterized by precise and detailed captions that encompass both human appearance and motion states, along with supplementary human motion conditions, including skeleton sequences and speech audio. To validate the efficacy of this dataset and the associated training strategies, we propose an extension of existing classical diffusion transformer architectures and conduct further pretraining of our models on the proposed dataset. Our findings yield two critical insights: First, the incorporation of a large-scale, high-quality dataset substantially enhances evaluation metrics for generated human videos while preserving performance in general video generation tasks. Second, the effective alignment of text with human appearance, human motion, and facial motion is essential for producing high-quality video outputs. Based on these insights and corresponding methodologies, the straightforward extended network trained on the proposed dataset demonstrates an obvious improvement in the generation of human-centric videos. Project page https://fudan-generative-vision.github.io/OpenHumanVid

In this work, we address the problem of automating quantum variational machine learning. We develop a multi-locality parallelizable search algorithm, called MUSE, to find the initial points and the sets of parameters that achieve the best performance for quantum variational circuit learning. Simulations with five real-world classification datasets indicate that on average, MUSE improves the detection accuracy of quantum variational classifiers 2.3 times with respect to the observed lowest scores. Moreover, when applied to two real-world regression datasets, MUSE improves the quality of the predictions from negative coefficients of determination to positive ones. Furthermore, the classification and regression scores of the quantum variational models trained with MUSE are on par with the classical counterparts.

In response to the limitations of manual ad creation, significant research has been conducted in the field of automatic ad text generation (ATG). However, the lack of comprehensive benchmarks and well-defined problem sets has made comparing different methods challenging. To tackle these challenges, we standardize the task of ATG and propose a first benchmark dataset, CAMERA, carefully designed and enabling the utilization of multi-modal information and facilitating industry-wise evaluations. Our extensive experiments with a variety of nine baselines, from classical methods to state-of-the-art models including large language models (LLMs), show the current state and the remaining challenges. We also explore how existing metrics in ATG and an LLM-based evaluator align with human evaluations.

Software requirements traceability is a critical component of the software engineering process, enabling activities such as requirements validation, compliance verification, and safety assurance. However, the cost and effort of manually creating a complete set of trace links across natural language artifacts such as requirements, design, and test-cases can be prohibitively expensive. Researchers have therefore proposed automated link-generation solutions primarily based on information-retrieval (IR) techniques; however, these solutions have failed to deliver the accuracy needed for full adoption in industrial projects. Improvements can be achieved using deep-learning traceability models; however, their efficacy is impeded by the limited size and availability of project-level artifacts and links to serve as training data. In this paper, we address this problem by proposing and evaluating several deep-learning approaches for text-to-text traceability. Our method, named NLTrace, explores three transfer learning strategies that use datasets mined from open world platforms. Through pretraining Language Models (LMs) and leveraging adjacent tracing tasks, we demonstrate that NLTrace can significantly improve the performance of LM based trace models when training links are available. In such scenarios NLTrace outperforms the best performing classical IR method with an 188% improvement in F2 score and 94.01% in Mean Average Precision (MAP). It also outperforms the general LM based trace model by 7% and 23% for F2 and MAP respectively. In addition, NLTrace can adapt to low-resource tracing scenarios where other LM models can not. The knowledge learned from adjacent tasks enables NLTrace to outperform VSM models by 28% F2 on generation challenges when presented with a small number of training examples.

Critiques are important for enhancing the performance of Large Language Models (LLMs), enabling both self-improvement and constructive feedback for others by identifying flaws and suggesting improvements. However, evaluating the critique capabilities of LLMs presents a significant challenge due to the open-ended nature of the task. In this work, we introduce a new benchmark designed to assess the critique capabilities of LLMs. Unlike existing benchmarks, which typically function in an open-loop fashion, our approach employs a closed-loop methodology that evaluates the quality of corrections generated from critiques. Moreover, the benchmark incorporates features such as self-critique, cross-critique, and iterative critique, which are crucial for distinguishing the abilities of advanced reasoning models from more classical ones. We implement this benchmark using eight challenging reasoning tasks. We have several interesting findings. First, despite demonstrating comparable performance in direct chain-of-thought generation, classical LLMs significantly lag behind the advanced reasoning-based model o1-mini across all critique scenarios. Second, in self-critique and iterative critique settings, classical LLMs may even underperform relative to their baseline capabilities. We hope that this benchmark will serve as a valuable resource to guide future advancements. The code and data are available at https://github.com/tangzhy/RealCritic.

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.

Fine-tuning large-scale music generation models, such as MusicGen and Mustango, is a computationally expensive process, often requiring updates to billions of parameters and, therefore, significant hardware resources. Parameter-Efficient Fine-Tuning (PEFT) techniques, particularly adapter-based methods, have emerged as a promising alternative, enabling adaptation with minimal trainable parameters while preserving model performance. However, the design choices for adapters, including their architecture, placement, and size, are numerous, and it is unclear which of these combinations would produce optimal adapters and why, for a given case of low-resource music genre. In this paper, we attempt to answer this question by studying various adapter configurations for two AI music models, MusicGen and Mustango, on two genres: Hindustani Classical and Turkish Makam music. Our findings reveal distinct trade-offs: convolution-based adapters excel in capturing fine-grained local musical details such as ornamentations and short melodic phrases, while transformer-based adapters better preserve long-range dependencies crucial for structured improvisation. Additionally, we analyze computational resource requirements across different adapter scales, demonstrating how mid-sized adapters (40M parameters) achieve an optimal balance between expressivity and quality. Furthermore, we find that Mustango, a diffusion-based model, generates more diverse outputs with better adherence to the description in the input prompt while lacking in providing stability in notes, rhythm alignment, and aesthetics. Also, it is computationally intensive and requires significantly more time to train. In contrast, autoregressive models like MusicGen offer faster training and are more efficient, and can produce better quality output in comparison, but have slightly higher redundancy in their generations.

In mental health counseling, a variety of earlier studies have focused on dialogue modeling. However, most of these studies give limited to no emphasis on the quality of interaction between a patient and a therapist. The therapeutic bond between a patient and a therapist directly correlates with effective mental health counseling. It involves developing the patient's trust on the therapist over the course of counseling. To assess the therapeutic bond in counseling, we introduce trust as a therapist-assistive metric. Our definition of trust involves patients' willingness and openness to express themselves and, consequently, receive better care. We conceptualize it as a dynamic trajectory observable through textual interactions during the counseling. To facilitate trust modeling, we present MENTAL-TRUST, a novel counseling dataset comprising manual annotation of 212 counseling sessions with first-of-its-kind seven expert-verified ordinal trust levels. We project our problem statement as an ordinal classification task for trust quantification and propose a new benchmark, TrustBench, comprising a suite of classical and state-of-the-art language models on MENTAL-TRUST. We evaluate the performance across a suite of metrics and lay out an exhaustive set of findings. Our study aims to unfold how trust evolves in therapeutic interactions.

Deep learning foundation models are revolutionizing many facets of science by leveraging vast amounts of data to learn general-purpose representations that can be adapted to tackle diverse downstream tasks. Foundation models hold the promise to also transform our ability to model our planet and its subsystems by exploiting the vast expanse of Earth system data. Here we introduce Aurora, a large-scale foundation model of the atmosphere trained on over a million hours of diverse weather and climate data. Aurora leverages the strengths of the foundation modelling approach to produce operational forecasts for a wide variety of atmospheric prediction problems, including those with limited training data, heterogeneous variables, and extreme events. In under a minute, Aurora produces 5-day global air pollution predictions and 10-day high-resolution weather forecasts that outperform state-of-the-art classical simulation tools and the best specialized deep learning models. Taken together, these results indicate that foundation models can transform environmental forecasting.

Agents navigating in 3D environments require some form of memory, which should hold a compact and actionable representation of the history of observations useful for decision taking and planning. In most end-to-end learning approaches the representation is latent and usually does not have a clearly defined interpretation, whereas classical robotics addresses this with scene reconstruction resulting in some form of map, usually estimated with geometry and sensor models and/or learning. In this work we propose to learn an actionable representation of the scene independently of the targeted downstream task and without explicitly optimizing reconstruction. The learned representation is optimized by a blind auxiliary agent trained to navigate with it on multiple short sub episodes branching out from a waypoint and, most importantly, without any direct visual observation. We argue and show that the blindness property is important and forces the (trained) latent representation to be the only means for planning. With probing experiments we show that the learned representation optimizes navigability and not reconstruction. On downstream tasks we show that it is robust to changes in distribution, in particular the sim2real gap, which we evaluate with a real physical robot in a real office building, significantly improving performance.

As deep learning models grow, sparsity is becoming an increasingly critical component of deep neural networks, enabling improved performance and reduced storage. However, existing frameworks offer poor support for sparsity. Specialized sparsity engines focus exclusively on sparse inference, while general frameworks primarily focus on sparse tensors in classical formats and neglect the broader sparsification pipeline necessary for using sparse models, especially during training. Further, existing frameworks are not easily extensible: adding a new sparse tensor format or operator is challenging and time-consuming. To address this, we propose STen, a sparsity programming model and interface for PyTorch, which incorporates sparsity layouts, operators, and sparsifiers, in an efficient, customizable, and extensible framework that supports virtually all sparsification methods. We demonstrate this by developing a high-performance grouped n:m sparsity layout for CPU inference at moderate sparsity. STen brings high performance and ease of use to the ML community, making sparsity easily accessible.

We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.

Large Language Models (LLMs) exhibit remarkable capabilities but are susceptible to adversarial prompts that exploit vulnerabilities to produce unsafe or biased outputs. Existing red-teaming methods often face scalability challenges, resource-intensive requirements, or limited diversity in attack strategies. We propose RainbowPlus, a novel red-teaming framework rooted in evolutionary computation, enhancing adversarial prompt generation through an adaptive quality-diversity (QD) search that extends classical evolutionary algorithms like MAP-Elites with innovations tailored for language models. By employing a multi-element archive to store diverse high-quality prompts and a comprehensive fitness function to evaluate multiple prompts concurrently, RainbowPlus overcomes the constraints of single-prompt archives and pairwise comparisons in prior QD methods like Rainbow Teaming. Experiments comparing RainbowPlus to QD methods across six benchmark datasets and four open-source LLMs demonstrate superior attack success rate (ASR) and diversity (Diverse-Score approx 0.84), generating up to 100 times more unique prompts (e.g., 10,418 vs. 100 for Ministral-8B-Instruct-2410). Against nine state-of-the-art methods on the HarmBench dataset with twelve LLMs (ten open-source, two closed-source), RainbowPlus achieves an average ASR of 81.1%, surpassing AutoDAN-Turbo by 3.9%, and is 9 times faster (1.45 vs. 13.50 hours). Our open-source implementation fosters further advancements in LLM safety, offering a scalable tool for vulnerability assessment. Code and resources are publicly available at https://github.com/knoveleng/rainbowplus, supporting reproducibility and future research in LLM red-teaming.

We introduce a unified framework for iterative reasoning that leverages non-Euclidean geometry via Bregman divergences, higher-order operator averaging, and adaptive feedback mechanisms. Our analysis establishes that, under mild smoothness and contractivity assumptions, a generalized update scheme not only unifies classical methods such as mirror descent and dynamic programming but also captures modern chain-of-thought reasoning processes in large language models. In particular, we prove that our accelerated iterative update achieves an O(1/t^2) convergence rate in the absence of persistent perturbations, and we further demonstrate that feedback (iterative) architectures are necessary to approximate certain fixed-point functions efficiently. These theoretical insights bridge classical acceleration techniques with contemporary applications in neural computation and optimization.

Diffusion Models (DM) have revolutionized the text-to-image visual generation process. However, the large computational cost and model footprint of DMs hinders practical deployment, especially on edge devices. Post-training quantization (PTQ) is a lightweight method to alleviate these burdens without the need for training or fine-tuning. While recent DM PTQ methods achieve W4A8 on integer-based PTQ, two key limitations remain: First, while most existing DM PTQ methods evaluate on classical DMs like Stable Diffusion XL, 1.5 or earlier, which use convolutional U-Nets, newer Diffusion Transformer (DiT) models like the PixArt series, Hunyuan and others adopt fundamentally different transformer backbones to achieve superior image synthesis. Second, integer (INT) quantization is prevailing in DM PTQ but doesn't align well with the network weight and activation distribution, while Floating-Point Quantization (FPQ) is still under-investigated, yet it holds the potential to better align the weight and activation distributions in low-bit settings for DiT. In response, we introduce FP4DiT, a PTQ method that leverages FPQ to achieve W4A6 quantization. Specifically, we extend and generalize the Adaptive Rounding PTQ technique to adequately calibrate weight quantization for FPQ and demonstrate that DiT activations depend on input patch data, necessitating robust online activation quantization techniques. Experimental results demonstrate that FP4DiT outperforms integer-based PTQ at W4A6 and W4A8 precision and generates convincing visual content on PixArt-alpha, PixArt-Sigma and Hunyuan in terms of several T2I metrics such as HPSv2 and CLIP.

The profiled vehicle routing problem (PVRP) is a generalization of the heterogeneous capacitated vehicle routing problem (HCVRP) in which the objective is to optimize the routes of vehicles to serve client demands subject to different vehicle profiles, with each having a preference or constraint on a per-client basis. While existing learning methods have shown promise for solving the HCVRP in real-time, no learning method exists to solve the more practical and challenging PVRP. In this paper, we propose a Collaborative Attention Model with Profiles (CAMP), a novel approach that learns efficient solvers for PVRP using multi-agent reinforcement learning. CAMP employs a specialized attention-based encoder architecture to embed profiled client embeddings in parallel for each vehicle profile. We design a communication layer between agents for collaborative decision-making across profiled embeddings at each decoding step and a batched pointer mechanism to attend to the profiled embeddings to evaluate the likelihood of the next actions. We evaluate CAMP on two variants of PVRPs: PVRP with preferences, which explicitly influence the reward function, and PVRP with zone constraints with different numbers of agents and clients, demonstrating that our learned solvers achieve competitive results compared to both classical state-of-the-art neural multi-agent models in terms of solution quality and computational efficiency. We make our code openly available at https://github.com/ai4co/camp.

pySLAM is an open-source Python framework for Visual SLAM, supporting monocular, stereo, and RGB-D cameras. It provides a flexible interface for integrating both classical and modern local features, making it adaptable to various SLAM tasks. The framework includes different loop closure methods, a volumetric reconstruction pipeline, and support for depth prediction models. Additionally, it offers a suite of tools for visual odometry and SLAM applications. Designed for both beginners and experienced researchers, pySLAM encourages community contributions, fostering collaborative development in the field of Visual SLAM.

Despite impressive performance for high-level downstream tasks, self-supervised pre-training methods have not yet fully delivered on dense geometric vision tasks such as stereo matching or optical flow. The application of self-supervised concepts, such as instance discrimination or masked image modeling, to geometric tasks is an active area of research. In this work, we build on the recent cross-view completion framework, a variation of masked image modeling that leverages a second view from the same scene which makes it well suited for binocular downstream tasks. The applicability of this concept has so far been limited in at least two ways: (a) by the difficulty of collecting real-world image pairs -- in practice only synthetic data have been used -- and (b) by the lack of generalization of vanilla transformers to dense downstream tasks for which relative position is more meaningful than absolute position. We explore three avenues of improvement. First, we introduce a method to collect suitable real-world image pairs at large scale. Second, we experiment with relative positional embeddings and show that they enable vision transformers to perform substantially better. Third, we scale up vision transformer based cross-completion architectures, which is made possible by the use of large amounts of data. With these improvements, we show for the first time that state-of-the-art results on stereo matching and optical flow can be reached without using any classical task-specific techniques like correlation volume, iterative estimation, image warping or multi-scale reasoning, thus paving the way towards universal vision models.

In this research, we explore the integration of quantum computing with classical machine learning for image classification tasks, specifically focusing on the MNIST dataset. We propose a hybrid quantum-classical approach that leverages the strengths of both paradigms. The process begins with preprocessing the MNIST dataset, normalizing the pixel values, and reshaping the images into vectors. An autoencoder compresses these 784-dimensional vectors into a 64-dimensional latent space, effectively reducing the data's dimensionality while preserving essential features. These compressed features are then processed using a quantum circuit implemented on a 5-qubit system. The quantum circuit applies rotation gates based on the feature values, followed by Hadamard and CNOT gates to entangle the qubits, and measurements are taken to generate quantum outcomes. These outcomes serve as input for a classical neural network designed to classify the MNIST digits. The classical neural network comprises multiple dense layers with batch normalization and dropout to enhance generalization and performance. We evaluate the performance of this hybrid model and compare it with a purely classical approach. The experimental results indicate that while the hybrid model demonstrates the feasibility of integrating quantum computing with classical techniques, the accuracy of the final model, trained on quantum outcomes, is currently lower than the classical model trained on compressed features. This research highlights the potential of quantum computing in machine learning, though further optimization and advanced quantum algorithms are necessary to achieve superior performance.

Long short-term memory (LSTM) is a kind of recurrent neural networks (RNN) for sequence and temporal dependency data modeling and its effectiveness has been extensively established. In this work, we propose a hybrid quantum-classical model of LSTM, which we dub QLSTM. We demonstrate that the proposed model successfully learns several kinds of temporal data. In particular, we show that for certain testing cases, this quantum version of LSTM converges faster, or equivalently, reaches a better accuracy, than its classical counterpart. Due to the variational nature of our approach, the requirements on qubit counts and circuit depth are eased, and our work thus paves the way toward implementing machine learning algorithms for sequence modeling on noisy intermediate-scale quantum (NISQ) devices.

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

Despite the availability of international prize-money competitions, scaled vehicles, and simulation environments, research on autonomous racing and the control of sports cars operating close to the limit of handling has been limited by the high costs of vehicle acquisition and management, as well as the limited physics accuracy of open-source simulators. In this paper, we propose a racing simulation platform based on the simulator Assetto Corsa to test, validate, and benchmark autonomous driving algorithms, including reinforcement learning (RL) and classical Model Predictive Control (MPC), in realistic and challenging scenarios. Our contributions include the development of this simulation platform, several state-of-the-art algorithms tailored to the racing environment, and a comprehensive dataset collected from human drivers. Additionally, we evaluate algorithms in the offline RL setting. All the necessary code (including environment and benchmarks), working examples, datasets, and videos are publicly released and can be found at: https://assetto-corsa-gym.github.io.

Curriculum Learning is the presentation of samples to the machine learning model in a meaningful order instead of a random order. The main challenge of Curriculum Learning is determining how to rank these samples. The ranking of the samples is expressed by the scoring function. In this study, scoring functions were compared using data set features, using the model to be trained, and using another model and their ensemble versions. Experiments were performed for 4 images and 4 text datasets. No significant differences were found between scoring functions for text datasets, but significant improvements were obtained in scoring functions created using transfer learning compared to classical model training and other scoring functions for image datasets. It shows that different new scoring functions are waiting to be found for text classification tasks.

Robust locomotion control depends on accurate state estimations. However, the sensors of most legged robots can only provide partial and noisy observations, making the estimation particularly challenging, especially for external states like terrain frictions and elevation maps. Inspired by the classical Internal Model Control principle, we consider these external states as disturbances and introduce Hybrid Internal Model (HIM) to estimate them according to the response of the robot. The response, which we refer to as the hybrid internal embedding, contains the robot's explicit velocity and implicit stability representation, corresponding to two primary goals for locomotion tasks: explicitly tracking velocity and implicitly maintaining stability. We use contrastive learning to optimize the embedding to be close to the robot's successor state, in which the response is naturally embedded. HIM has several appealing benefits: It only needs the robot's proprioceptions, i.e., those from joint encoders and IMU as observations. It innovatively maintains consistent observations between simulation reference and reality that avoids information loss in mimicking learning. It exploits batch-level information that is more robust to noises and keeps better sample efficiency. It only requires 1 hour of training on an RTX 4090 to enable a quadruped robot to traverse any terrain under any disturbances. A wealth of real-world experiments demonstrates its agility, even in high-difficulty tasks and cases never occurred during the training process, revealing remarkable open-world generalizability.

The integration of Vector Quantised Variational AutoEncoder (VQ-VAE) with autoregressive models as generation part has yielded high-quality results on image generation. However, the autoregressive models will strictly follow the progressive scanning order during the sampling phase. This leads the existing VQ series models to hardly escape the trap of lacking global information. Denoising Diffusion Probabilistic Models (DDPM) in the continuous domain have shown a capability to capture the global context, while generating high-quality images. In the discrete state space, some works have demonstrated the potential to perform text generation and low resolution image generation. We show that with the help of a content-rich discrete visual codebook from VQ-VAE, the discrete diffusion model can also generate high fidelity images with global context, which compensates for the deficiency of the classical autoregressive model along pixel space. Meanwhile, the integration of the discrete VAE with the diffusion model resolves the drawback of conventional autoregressive models being oversized, and the diffusion model which demands excessive time in the sampling process when generating images. It is found that the quality of the generated images is heavily dependent on the discrete visual codebook. Extensive experiments demonstrate that the proposed Vector Quantised Discrete Diffusion Model (VQ-DDM) is able to achieve comparable performance to top-tier methods with low complexity. It also demonstrates outstanding advantages over other vectors quantised with autoregressive models in terms of image inpainting tasks without additional training.

Traditional foundation models are pre-trained on broad datasets to reduce the training resources (e.g., time, energy, labeled samples) needed for fine-tuning a wide range of downstream tasks. However, traditional foundation models struggle with out-of-distribution prediction and can produce outputs that are unrealistic and physically infeasible. We propose the notation of physics-guided foundation models (PGFM), that is, foundation models integrated with broad or general domain (e.g., scientific) physical knowledge applicable to a wide range of downstream tasks.

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

Mathematical modeling involves representing real-world phenomena, systems, or problems using mathematical expressions and equations to analyze, understand, and predict their behavior. Given that this process typically requires experienced experts, there is an interest in exploring whether Large Language Models (LLMs) can undertake mathematical modeling to potentially decrease human labor. To evaluate of LLMs in mathematical modeling, we introduce a new benchmark, Mamo, that transcends traditional result-oriented assessments. Unlike conventional methods that primarily assess LLMs based on the accuracy of solutions to mathematical problems, our approach offers deeper insight into the modeling process itself. By focusing on the processes LLMs undertake rather than the correctness of their final solutions, Mamo pioneers a novel evaluation paradigm. This shift underscores the importance of understanding the inherent modeling capabilities of LLMs, paving the way for a more nuanced and comprehensive analysis of their problem-solving strategies. Our work marks a significant advancement in the field, suggesting a new direction for future research by emphasizing the evaluation of LLMs' modeling processes over the mere correctness of answers. This benchmark not only facilitates a better understanding of LLMs' mathematical modeling capabilities but also sets a new standard for evaluating their performance in complex problem-solving scenarios.

The classical Coulomb gas model has served as one of the most versatile frameworks in statistical physics, connecting a vast range of phenomena across many different areas. Nonequilibrium generalisations of this model have so far been studied much more scarcely. With the abundance of contemporary research into active and driven systems, one would naturally expect that such generalisations of systems with long-ranged Coulomb-like interactions will form a fertile playground for interesting developments. Here, we present two examples of novel macroscopic behaviour that arise from nonequilibrium fluctuations in long-range interacting systems, namely (1) unscreened long-ranged correlations in strong electrolytes driven by an external electric field and the associated fluctuation-induced forces in the confined Casimir geometry, and (2) out-of-equilibrium critical behaviour in self-chemotactic models that incorporate the particle polarity in the chemotactic response of the cells. Both of these systems have nonlocal Coulomb-like interactions among their constituent particles, namely, the electrostatic interactions in the case of the driven electrolyte, and the chemotactic forces mediated by fast-diffusing signals in the case of self-chemotactic systems. The results presented here hint to the rich phenomenology of nonequilibrium effects that can arise from strong fluctuations in Coulomb interacting systems, and a rich variety of potential future directions, which are discussed.

Predicting properties of complex, large-scale quantum systems is essential for developing quantum technologies. We present an efficient method for constructing an approximate classical description of a quantum state using very few measurements of the state. This description, called a classical shadow, can be used to predict many different properties: order log M measurements suffice to accurately predict M different functions of the state with high success probability. The number of measurements is independent of the system size, and saturates information-theoretic lower bounds. Moreover, target properties to predict can be selected after the measurements are completed. We support our theoretical findings with extensive numerical experiments. We apply classical shadows to predict quantum fidelities, entanglement entropies, two-point correlation functions, expectation values of local observables, and the energy variance of many-body local Hamiltonians. The numerical results highlight the advantages of classical shadows relative to previously known methods.

The industry is rich in cases when we are required to make forecasting for large amounts of time series at once. However, we might be in a situation where we can not afford to train a separate model for each of them. Such issue in time series modeling remains without due attention. The remedy for this setting is the establishment of a foundation model. Such a model is expected to work in zero-shot and few-shot regimes. However, what should we take as a training dataset for such kind of model? Witnessing the benefits from the enrichment of NLP datasets with artificially-generated data, we might want to adopt their experience for time series. In contrast to natural language, the process of generation of synthetic time series data is even more favorable because it provides full control of series patterns, time horizons, and number of samples. In this work, we consider the essential question if it is advantageous to train a foundation model on synthetic data or it is better to utilize only a limited number of real-life examples. Our experiments are conducted only for regular time series and speak in favor of leveraging solely the real time series. Moreover, the choice of the proper source dataset strongly influences the performance during inference. When provided access even to a limited quantity of short time series data, employing it within a supervised framework yields more favorable results than training on a larger volume of synthetic data. The code for our experiments is publicly available on Github https://github.com/sb-ai-lab/synthesize_or_not.

Learning in Gaussian Process models occurs through the adaptation of hyperparameters of the mean and the covariance function. The classical approach entails maximizing the marginal likelihood yielding fixed point estimates (an approach called Type II maximum likelihood or ML-II). An alternative learning procedure is to infer the posterior over hyperparameters in a hierarchical specification of GPs we call Fully Bayesian Gaussian Process Regression (GPR). This work considers two approximation schemes for the intractable hyperparameter posterior: 1) Hamiltonian Monte Carlo (HMC) yielding a sampling-based approximation and 2) Variational Inference (VI) where the posterior over hyperparameters is approximated by a factorized Gaussian (mean-field) or a full-rank Gaussian accounting for correlations between hyperparameters. We analyze the predictive performance for fully Bayesian GPR on a range of benchmark data sets.

Given the exponential growth of the volume of the ball w.r.t. its radius, the hyperbolic space is capable of embedding trees with arbitrarily small distortion and hence has received wide attention for representing hierarchical datasets. However, this exponential growth property comes at a price of numerical instability such that training hyperbolic learning models will sometimes lead to catastrophic NaN problems, encountering unrepresentable values in floating point arithmetic. In this work, we carefully analyze the limitation of two popular models for the hyperbolic space, namely, the Poincar\'e ball and the Lorentz model. We first show that, under the 64 bit arithmetic system, the Poincar\'e ball has a relatively larger capacity than the Lorentz model for correctly representing points. Then, we theoretically validate the superiority of the Lorentz model over the Poincar\'e ball from the perspective of optimization. Given the numerical limitations of both models, we identify one Euclidean parametrization of the hyperbolic space which can alleviate these limitations. We further extend this Euclidean parametrization to hyperbolic hyperplanes and exhibits its ability in improving the performance of hyperbolic SVM.

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.

In an industrial group like Safran, numerical simulations of physical phenomena are integral to most design processes. At Safran's corporate research center, we enhance these processes by developing fast and reliable surrogate models for various physics. We focus here on two technologies developed in recent years. The first is a physical reduced-order modeling method for non-linear structural mechanics and thermal analysis, used for calculating the lifespan of high-pressure turbine blades and performing heat analysis of high-pressure compressors. The second technology involves learning physics simulations with non-parameterized geometrical variability using classical machine learning tools, such as Gaussian process regression. Finally, we present our contributions to the open-source and open-data community.

We present Symphony, an E(3)-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree E(3)-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.

How do sequence models represent their decision-making process? Prior work suggests that Othello-playing neural network learned nonlinear models of the board state (Li et al., 2023). In this work, we provide evidence of a closely related linear representation of the board. In particular, we show that probing for "my colour" vs. "opponent's colour" may be a simple yet powerful way to interpret the model's internal state. This precise understanding of the internal representations allows us to control the model's behaviour with simple vector arithmetic. Linear representations enable significant interpretability progress, which we demonstrate with further exploration of how the world model is computed.

We study a discrete model for generalized exchange-driven growth in which the particle exchanged between two clusters is not limited to be of size one. This set of models include as special cases the usual exchange-driven growth system and the coagulation-fragmentation system with binary fragmentation. Under reasonable general condition on the rate coefficients we establish the existence of admissible solutions, meaning solutions that are obtained as appropriate limit of solutions to a finite-dimensional truncation of the infinite-dimensional ODE. For these solutions we prove that, in the class of models we call isolated both the total number of particles and the total mass are conserved, whereas in those models we can non-isolated only the mass is conserved. Additionally, under more restrictive growth conditions for the rate equations we obtain uniqueness of solutions to the initial value problems.

In this paper we present a new framework for time-series modeling that combines the best of traditional statistical models and neural networks. We focus on time-series with long-range dependencies, needed for monitoring fine granularity data (e.g. minutes, seconds, milliseconds), prevalent in operational use-cases. Traditional models, such as auto-regression fitted with least squares (Classic-AR) can model time-series with a concise and interpretable model. When dealing with long-range dependencies, Classic-AR models can become intractably slow to fit for large data. Recently, sequence-to-sequence models, such as Recurrent Neural Networks, which were originally intended for natural language processing, have become popular for time-series. However, they can be overly complex for typical time-series data and lack interpretability. A scalable and interpretable model is needed to bridge the statistical and deep learning-based approaches. As a first step towards this goal, we propose modelling AR-process dynamics using a feed-forward neural network approach, termed AR-Net. We show that AR-Net is as interpretable as Classic-AR but also scales to long-range dependencies. Our results lead to three major conclusions: First, AR-Net learns identical AR-coefficients as Classic-AR, thus being equally interpretable. Second, the computational complexity with respect to the order of the AR process, is linear for AR-Net as compared to a quadratic for Classic-AR. This makes it possible to model long-range dependencies within fine granularity data. Third, by introducing regularization, AR-Net automatically selects and learns sparse AR-coefficients. This eliminates the need to know the exact order of the AR-process and allows to learn sparse weights for a model with long-range dependencies.

Large pretrained (e.g., "foundation") models exhibit distinct capabilities depending on the domain of data they are trained on. While these domains are generic, they may only barely overlap. For example, visual-language models (VLMs) are trained on Internet-scale image captions, but large language models (LMs) are further trained on Internet-scale text with no images (e.g., spreadsheets, SAT questions, code). As a result, these models store different forms of commonsense knowledge across different domains. In this work, we show that this diversity is symbiotic, and can be leveraged through Socratic Models (SMs): a modular framework in which multiple pretrained models may be composed zero-shot i.e., via multimodal-informed prompting, to exchange information with each other and capture new multimodal capabilities, without requiring finetuning. With minimal engineering, SMs are not only competitive with state-of-the-art zero-shot image captioning and video-to-text retrieval, but also enable new applications such as (i) answering free-form questions about egocentric video, (ii) engaging in multimodal assistive dialogue with people (e.g., for cooking recipes) by interfacing with external APIs and databases (e.g., web search), and (iii) robot perception and planning.

Language models have achieved remarkable performance on a wide range of tasks that require natural language understanding. Nevertheless, state-of-the-art models have generally struggled with tasks that require quantitative reasoning, such as solving mathematics, science, and engineering problems at the college level. To help close this gap, we introduce Minerva, a large language model pretrained on general natural language data and further trained on technical content. The model achieves state-of-the-art performance on technical benchmarks without the use of external tools. We also evaluate our model on over two hundred undergraduate-level problems in physics, biology, chemistry, economics, and other sciences that require quantitative reasoning, and find that the model can correctly answer nearly a third of them.

Newly-developed large language models (LLM) -- because of how they are trained and designed -- are implicit computational models of humans -- a homo silicus. These models can be used the same way economists use homo economicus: they can be given endowments, information, preferences, and so on and then their behavior can be explored in scenarios via simulation. I demonstrate this approach using OpenAI's GPT3 with experiments derived from Charness and Rabin (2002), Kahneman, Knetsch and Thaler (1986) and Samuelson and Zeckhauser (1988). The findings are qualitatively similar to the original results, but it is also trivially easy to try variations that offer fresh insights. Departing from the traditional laboratory paradigm, I also create a hiring scenario where an employer faces applicants that differ in experience and wage ask and then analyze how a minimum wage affects realized wages and the extent of labor-labor substitution.

The accurate modeling of dynamics in interactive environments is critical for successful long-range prediction. Such a capability could advance Reinforcement Learning (RL) and Planning algorithms, but achieving it is challenging. Inaccuracies in model estimates can compound, resulting in increased errors over long horizons. We approach this problem from the lens of Koopman theory, where the nonlinear dynamics of the environment can be linearized in a high-dimensional latent space. This allows us to efficiently parallelize the sequential problem of long-range prediction using convolution while accounting for the agent's action at every time step. Our approach also enables stability analysis and better control over gradients through time. Taken together, these advantages result in significant improvement over the existing approaches, both in the efficiency and the accuracy of modeling dynamics over extended horizons. We also show that this model can be easily incorporated into dynamics modeling for model-based planning and model-free RL and report promising experimental results.

World models simulate future states of the world in response to different actions. They facilitate interactive content creation and provides a foundation for grounded, long-horizon reasoning. Current foundation models do not fully meet the capabilities of general world models: large language models (LLMs) are constrained by their reliance on language modality and their limited understanding of the physical world, while video models lack interactive action control over the world simulations. This paper makes a step towards building a general world model by introducing Pandora, a hybrid autoregressive-diffusion model that simulates world states by generating videos and allows real-time control with free-text actions. Pandora achieves domain generality, video consistency, and controllability through large-scale pretraining and instruction tuning. Crucially, Pandora bypasses the cost of training-from-scratch by integrating a pretrained LLM (7B) and a pretrained video model, requiring only additional lightweight finetuning. We illustrate extensive outputs by Pandora across diverse domains (indoor/outdoor, natural/urban, human/robot, 2D/3D, etc.). The results indicate great potential of building stronger general world models with larger-scale training.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the modelx2013and the more data one has access tox2013the more one can improve performance. As models get deployed in a variety of real world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects scaling laws. We find that strategic interactions can break the conventional view of scaling lawsx2013meaning that performance does not necessarily monotonically improve as models get larger and/ or more expressive (even with infinite data). We show the implications of this phenomenon in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning through examples of strategic environments in whichx2013by simply restricting the expressivity of one's model or policy classx2013one can achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model-selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis we performed on a diverse set of models on the GuacaMol benchmark using supervised classifiers, over 60\% of molecules proposed had high probability of being mutagenic. In this work, we introduce \ourdataset, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. \ourdataset~ consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e. SMILES or refseq IDs). To demonstrate the potential of the data, we train LLM, CLIP, and LLava architectures to reason jointly about text and design targets and evaluate on tasks from the Therapeutic Data Commons (TDC). \ourdataset~is highly effective for creating models with strong priors: in supervised prediction problems that use our data as pretraining, our best models with 15M learnable parameters outperform larger 2B TxGemma on both regression and classification TDC tasks, and perform comparably to 9B models on average. Models built with \ourdataset~can be used as constraints while optimizing for novel molecules in GuacaMol, resulting in proposals that are safer and nearly as effective. We release our dataset at https://huggingface.co/datasets/medexanon/Medex{huggingface.co/datasets/medexanon/Medex}, and will provide expanded versions as available literature grows.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.

Diffusion models are a powerful class of generative models which simulate stochastic differential equations (SDEs) to generate data from noise. While diffusion models have achieved remarkable progress, they have limitations in unpaired image-to-image (I2I) translation tasks due to the Gaussian prior assumption. Schr\"{o}dinger Bridge (SB), which learns an SDE to translate between two arbitrary distributions, have risen as an attractive solution to this problem. Yet, to our best knowledge, none of SB models so far have been successful at unpaired translation between high-resolution images. In this work, we propose Unpaired Neural Schr\"{o}dinger Bridge (UNSB), which expresses the SB problem as a sequence of adversarial learning problems. This allows us to incorporate advanced discriminators and regularization to learn a SB between unpaired data. We show that UNSB is scalable and successfully solves various unpaired I2I translation tasks. Code: https://github.com/cyclomon/UNSB

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

Large Language Models (LLMs) have made significant progress in advancing artificial general intelligence (AGI), leading to the development of increasingly large models such as GPT-4 and LLaMA-405B. However, scaling up model sizes results in exponentially higher computational costs and energy consumption, making these models impractical for academic researchers and businesses with limited resources. At the same time, Small Models (SMs) are frequently used in practical settings, although their significance is currently underestimated. This raises important questions about the role of small models in the era of LLMs, a topic that has received limited attention in prior research. In this work, we systematically examine the relationship between LLMs and SMs from two key perspectives: Collaboration and Competition. We hope this survey provides valuable insights for practitioners, fostering a deeper understanding of the contribution of small models and promoting more efficient use of computational resources. The code is available at https://github.com/tigerchen52/role_of_small_models

The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

Adopting general frameworks for quantum-classical dynamics, we analyze the interaction between quantum matter and a classical gravitational field. We point out that, assuming conservation of momentum or energy, and assuming that the dynamics obeys Hamiltonian formalism or a particular decomposition property set out in the paper, the classical gravitational field cannot change the momentum or energy of the quantum system, whereas the quantum gravitational field can do so. Drawing upon the fundamental relationship between conservation laws and the quantum properties of objects, our analysis offers new perspectives for the study of quantum gravity and provides a novel interpretation of existing experimental observations, such as free fall.

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.

Foundation models are redefining how AI systems are built. Practitioners now follow a standard procedure to build their machine learning solutions: from a pre-trained foundation model, they fine-tune the weights on the target task of interest. So, the Internet is swarmed by a handful of foundation models fine-tuned on many diverse tasks: these individual fine-tunings exist in isolation without benefiting from each other. In our opinion, this is a missed opportunity, as these specialized models contain rich and diverse features. In this paper, we thus propose model ratatouille, a new strategy to recycle the multiple fine-tunings of the same foundation model on diverse auxiliary tasks. Specifically, we repurpose these auxiliary weights as initializations for multiple parallel fine-tunings on the target task; then, we average all fine-tuned weights to obtain the final model. This recycling strategy aims at maximizing the diversity in weights by leveraging the diversity in auxiliary tasks. Empirically, it improves the state of the art on the reference DomainBed benchmark for out-of-distribution generalization. Looking forward, this work contributes to the emerging paradigm of updatable machine learning where, akin to open-source software development, the community collaborates to reliably update machine learning models.

The accuracy of classical force fields (FFs) has been shown to be limited for the simulation of cation-protein systems despite their importance in understanding the processes of life. Improvements can result from optimizing the parameters of classical FFs or by extending the FF formulation by terms describing charge transfer and polarization effects. In this work, we introduce our implementation of the CTPOL model in OpenMM, which extends the classical additive FF formula by adding charge transfer (CT) and polarization (POL). Furthermore, we present an open-source parameterization tool, called FFAFFURR that enables the (system specific) parameterization of OPLS-AA and CTPOL models. The performance of our workflow was evaluated by its ability to reproduce quantum chemistry energies and by molecular dynamics simulations of a Zinc finger protein.

Recent advances in deep learning for physics have focused on discovering shared representations of target systems by incorporating physics priors or inductive biases into neural networks. While effective, these methods are limited to the system domain, where the type of system remains consistent and thus cannot ensure the adaptation to new, or unseen physical systems governed by different laws. For instance, a neural network trained on a mass-spring system cannot guarantee accurate predictions for the behavior of a two-body system or any other system with different physical laws. In this work, we take a significant leap forward by targeting cross domain generalization within the field of Hamiltonian dynamics. We model our system with a graph neural network and employ a meta learning algorithm to enable the model to gain experience over a distribution of tasks and make it adapt to new physics. Our approach aims to learn a unified Hamiltonian representation that is generalizable across multiple system domains, thereby overcoming the limitations of system-specific models. Our results demonstrate that the meta-trained model not only adapts effectively to new systems but also captures a generalized Hamiltonian representation that is consistent across different physical domains. Overall, through the use of meta learning, we offer a framework that achieves cross domain generalization, providing a step towards a unified model for understanding a wide array of dynamical systems via deep learning.

A fundamental question in modern machine learning is why large, over-parameterized models, such as deep neural networks and transformers, tend to generalize well, even when their number of parameters far exceeds the number of training samples. We investigate this phenomenon through the lens of information theory, grounded in universal learning theory. Specifically, we study a Bayesian mixture learner with log-loss and (almost) uniform prior over an expansive hypothesis class. Our key result shows that the learner's regret is not determined by the overall size of the hypothesis class, but rather by the cumulative probability of all models that are close, in Kullback-Leibler divergence distance, to the true data-generating process. We refer to this cumulative probability as the weight of the hypothesis. This leads to a natural notion of model simplicity: simple models are those with large weight and thus require fewer samples to generalize, while complex models have small weight and need more data. This perspective provides a rigorous and intuitive explanation for why over-parameterized models often avoid overfitting: the presence of simple hypotheses allows the posterior to concentrate on them when supported by the data. We further bridge theory and practice by recalling that stochastic gradient descent with Langevin dynamics samples from the correct posterior distribution, enabling our theoretical learner to be approximated using standard machine learning methods combined with ensemble learning. Our analysis yields non-uniform regret bounds and aligns with key practical concepts such as flat minima and model distillation. The results apply broadly across online, batch, and supervised learning settings, offering a unified and principled understanding of the generalization behavior of modern AI systems.

While neural networks can be approximated by linear models as their width increases, certain properties of wide neural networks cannot be captured by linear models. In this work we show that recently proposed Neural Quadratic Models can exhibit the "catapult phase" [Lewkowycz et al. 2020] that arises when training such models with large learning rates. We then empirically show that the behaviour of neural quadratic models parallels that of neural networks in generalization, especially in the catapult phase regime. Our analysis further demonstrates that quadratic models can be an effective tool for analysis of neural networks.

Med42-v2 introduces a suite of clinical large language models (LLMs) designed to address the limitations of generic models in healthcare settings. These models are built on Llama3 architecture and fine-tuned using specialized clinical data. They underwent multi-stage preference alignment to effectively respond to natural prompts. While generic models are often preference-aligned to avoid answering clinical queries as a precaution, Med42-v2 is specifically trained to overcome this limitation, enabling its use in clinical settings. Med42-v2 models demonstrate superior performance compared to the original Llama3 models in both 8B and 70B parameter configurations and GPT-4 across various medical benchmarks. These LLMs are developed to understand clinical queries, perform reasoning tasks, and provide valuable assistance in clinical environments. The models are now publicly available at https://huggingface.co/m42-health{https://huggingface.co/m42-health}.

I propose a version of quantum mechanics featuring a discrete and finite number of states that is plausibly a model of the real world. The model is based on standard unitary quantum theory of a closed system with a finite-dimensional Hilbert space. Given certain simple conditions on the spectrum of the Hamiltonian, Schr\"odinger evolution is periodic, and it is straightforward to replace continuous time with a discrete version, with the result that the system only visits a discrete and finite set of state vectors. The biggest challenges to the viability of such a model come from cosmological considerations. The theory may have implications for questions of mathematical realism and finitism.

From crop mapping to flood detection, machine learning in remote sensing has a wide range of societally beneficial applications. The commonalities between remote sensing data in these applications present an opportunity for pretrained machine learning models tailored to remote sensing to reduce the labeled data and effort required to solve individual tasks. However, such models must be: (i) flexible enough to ingest input data of varying sensor modalities and shapes (i.e., of varying spatial and temporal dimensions), and (ii) able to model Earth surface phenomena of varying scales and types. To solve this gap, we present Galileo, a family of pretrained remote sensing models designed to flexibly process multimodal remote sensing data. We also introduce a novel and highly effective self-supervised learning approach to learn both large- and small-scale features, a challenge not addressed by previous models. Our Galileo models obtain state-of-the-art results across diverse remote sensing tasks.

We introduce Diffusion World Model (DWM), a conditional diffusion model capable of predicting multistep future states and rewards concurrently. As opposed to traditional one-step dynamics models, DWM offers long-horizon predictions in a single forward pass, eliminating the need for recursive quires. We integrate DWM into model-based value estimation, where the short-term return is simulated by future trajectories sampled from DWM. In the context of offline reinforcement learning, DWM can be viewed as a conservative value regularization through generative modeling. Alternatively, it can be seen as a data source that enables offline Q-learning with synthetic data. Our experiments on the D4RL dataset confirm the robustness of DWM to long-horizon simulation. In terms of absolute performance, DWM significantly surpasses one-step dynamics models with a 44% performance gain, and achieves state-of-the-art performance.

Instruct (or "chat") tuned models have become the primary way in which most people interact with large language models. As opposed to "base" or "foundation" models, instruct-tuned models are optimized to respond to imperative statements. We present Hermes 3, a neutrally-aligned generalist instruct and tool use model with strong reasoning and creative abilities. Its largest version, Hermes 3 405B, achieves state of the art performance among open weight models on several public benchmarks.