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Aug 20

Position Auctions in AI-Generated Content

We consider an extension to the classic position auctions in which sponsored creatives can be added within AI generated content rather than shown in predefined slots. New challenges arise from the natural requirement that sponsored creatives should smoothly fit into the context. With the help of advanced LLM technologies, it becomes viable to accurately estimate the benefits of adding each individual sponsored creatives into each potential positions within the AI generated content by properly taking the context into account. Therefore, we assume one click-through rate estimation for each position-creative pair, rather than one uniform estimation for each sponsored creative across all positions in classic settings. As a result, the underlying optimization becomes a general matching problem, thus the substitution effects should be treated more carefully compared to standard position auction settings, where the slots are independent with each other. In this work, we formalize a concrete mathematical model of the extended position auction problem and study the welfare-maximization and revenue-maximization mechanism design problem. Formally, we consider two different user behavior models and solve the mechanism design problems therein respectively. For the Multinomial Logit (MNL) model, which is order-insensitive, we can efficiently implement the optimal mechanisms. For the cascade model, which is order-sensitive, we provide approximately optimal solutions.

Cascaded Zoom-in Detector for High Resolution Aerial Images

Detecting objects in aerial images is challenging because they are typically composed of crowded small objects distributed non-uniformly over high-resolution images. Density cropping is a widely used method to improve this small object detection where the crowded small object regions are extracted and processed in high resolution. However, this is typically accomplished by adding other learnable components, thus complicating the training and inference over a standard detection process. In this paper, we propose an efficient Cascaded Zoom-in (CZ) detector that re-purposes the detector itself for density-guided training and inference. During training, density crops are located, labeled as a new class, and employed to augment the training dataset. During inference, the density crops are first detected along with the base class objects, and then input for a second stage of inference. This approach is easily integrated into any detector, and creates no significant change in the standard detection process, like the uniform cropping approach popular in aerial image detection. Experimental results on the aerial images of the challenging VisDrone and DOTA datasets verify the benefits of the proposed approach. The proposed CZ detector also provides state-of-the-art results over uniform cropping and other density cropping methods on the VisDrone dataset, increasing the detection mAP of small objects by more than 3 points.

Cascaded Multi-Modal Mixing Transformers for Alzheimer's Disease Classification with Incomplete Data

Accurate medical classification requires a large number of multi-modal data, and in many cases, different feature types. Previous studies have shown promising results when using multi-modal data, outperforming single-modality models when classifying diseases such as Alzheimer's Disease (AD). However, those models are usually not flexible enough to handle missing modalities. Currently, the most common workaround is discarding samples with missing modalities which leads to considerable data under-utilization. Adding to the fact that labeled medical images are already scarce, the performance of data-driven methods like deep learning can be severely hampered. Therefore, a multi-modal method that can handle missing data in various clinical settings is highly desirable. In this paper, we present Multi-Modal Mixing Transformer (3MAT), a disease classification transformer that not only leverages multi-modal data but also handles missing data scenarios. In this work, we test 3MT for AD and Cognitively normal (CN) classification and mild cognitive impairment (MCI) conversion prediction to progressive MCI (pMCI) or stable MCI (sMCI) using clinical and neuroimaging data. The model uses a novel Cascaded Modality Transformer architecture with cross-attention to incorporate multi-modal information for more informed predictions. We propose a novel modality dropout mechanism to ensure an unprecedented level of modality independence and robustness to handle missing data scenarios. The result is a versatile network that enables the mixing of arbitrary numbers of modalities with different feature types and also ensures full data utilization missing data scenarios. The model is trained and evaluated on the ADNI dataset with the SOTRA performance and further evaluated with the AIBL dataset with missing data.

A Deep Conjugate Direction Method for Iteratively Solving Linear Systems

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

I2VGen-XL: High-Quality Image-to-Video Synthesis via Cascaded Diffusion Models

Video synthesis has recently made remarkable strides benefiting from the rapid development of diffusion models. However, it still encounters challenges in terms of semantic accuracy, clarity and spatio-temporal continuity. They primarily arise from the scarcity of well-aligned text-video data and the complex inherent structure of videos, making it difficult for the model to simultaneously ensure semantic and qualitative excellence. In this report, we propose a cascaded I2VGen-XL approach that enhances model performance by decoupling these two factors and ensures the alignment of the input data by utilizing static images as a form of crucial guidance. I2VGen-XL consists of two stages: i) the base stage guarantees coherent semantics and preserves content from input images by using two hierarchical encoders, and ii) the refinement stage enhances the video's details by incorporating an additional brief text and improves the resolution to 1280times720. To improve the diversity, we collect around 35 million single-shot text-video pairs and 6 billion text-image pairs to optimize the model. By this means, I2VGen-XL can simultaneously enhance the semantic accuracy, continuity of details and clarity of generated videos. Through extensive experiments, we have investigated the underlying principles of I2VGen-XL and compared it with current top methods, which can demonstrate its effectiveness on diverse data. The source code and models will be publicly available at https://i2vgen-xl.github.io.

Align$^2$LLaVA: Cascaded Human and Large Language Model Preference Alignment for Multi-modal Instruction Curation

Recent advances in Multi-modal Large Language Models (MLLMs), such as LLaVA-series models, are driven by massive machine-generated instruction-following data tuning. Such automatic instruction collection pipelines, however, inadvertently introduce significant variability in data quality. This paper introduces a novel instruction curation algorithm, derived from two unique perspectives, human and LLM preference alignment, to compress this vast corpus of machine-generated multimodal instructions to a compact and high-quality form: (i) For human preference alignment, we have collected a machine-generated multimodal instruction dataset and established a comprehensive set of both subjective and objective criteria to guide the data quality assessment critically from human experts. By doing so, a reward model was trained on the annotated dataset to internalize the nuanced human understanding of instruction alignment. (ii) For LLM preference alignment, given the instruction selected by the reward model, we propose leveraging the inner LLM used in MLLM to align the writing style of visual instructions with that of the inner LLM itself, resulting in LLM-aligned instruction improvement. Extensive experiments demonstrate that we can maintain or even improve model performance by compressing synthetic multimodal instructions by up to 90%. Impressively, by aggressively reducing the total training sample size from 158k to 14k (9times smaller), our model consistently outperforms its full-size dataset counterpart across various MLLM benchmarks. Our project is available at https://github.com/DCDmllm/Align2LLaVA.

Illuminating search spaces by mapping elites

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

FreCaS: Efficient Higher-Resolution Image Generation via Frequency-aware Cascaded Sampling

While image generation with diffusion models has achieved a great success, generating images of higher resolution than the training size remains a challenging task due to the high computational cost. Current methods typically perform the entire sampling process at full resolution and process all frequency components simultaneously, contradicting with the inherent coarse-to-fine nature of latent diffusion models and wasting computations on processing premature high-frequency details at early diffusion stages. To address this issue, we introduce an efficient Frequency-aware Cascaded Sampling framework, FreCaS in short, for higher-resolution image generation. FreCaS decomposes the sampling process into cascaded stages with gradually increased resolutions, progressively expanding frequency bands and refining the corresponding details. We propose an innovative frequency-aware classifier-free guidance (FA-CFG) strategy to assign different guidance strengths for different frequency components, directing the diffusion model to add new details in the expanded frequency domain of each stage. Additionally, we fuse the cross-attention maps of previous and current stages to avoid synthesizing unfaithful layouts. Experiments demonstrate that FreCaS significantly outperforms state-of-the-art methods in image quality and generation speed. In particular, FreCaS is about 2.86times and 6.07times faster than ScaleCrafter and DemoFusion in generating a 2048times2048 image using a pre-trained SDXL model and achieves an FID_b improvement of 11.6 and 3.7, respectively. FreCaS can be easily extended to more complex models such as SD3. The source code of FreCaS can be found at text{https://github.com/xtudbxk/FreCaS}{https://github.com/xtudbxk/FreCaS}.

Segmentation and Vascular Vectorization for Coronary Artery by Geometry-based Cascaded Neural Network

Segmentation of the coronary artery is an important task for the quantitative analysis of coronary computed tomography angiography (CCTA) images and is being stimulated by the field of deep learning. However, the complex structures with tiny and narrow branches of the coronary artery bring it a great challenge. Coupled with the medical image limitations of low resolution and poor contrast, fragmentations of segmented vessels frequently occur in the prediction. Therefore, a geometry-based cascaded segmentation method is proposed for the coronary artery, which has the following innovations: 1) Integrating geometric deformation networks, we design a cascaded network for segmenting the coronary artery and vectorizing results. The generated meshes of the coronary artery are continuous and accurate for twisted and sophisticated coronary artery structures, without fragmentations. 2) Different from mesh annotations generated by the traditional marching cube method from voxel-based labels, a finer vectorized mesh of the coronary artery is reconstructed with the regularized morphology. The novel mesh annotation benefits the geometry-based segmentation network, avoiding bifurcation adhesion and point cloud dispersion in intricate branches. 3) A dataset named CCA-200 is collected, consisting of 200 CCTA images with coronary artery disease. The ground truths of 200 cases are coronary internal diameter annotations by professional radiologists. Extensive experiments verify our method on our collected dataset CCA-200 and public ASOCA dataset, with a Dice of 0.778 on CCA-200 and 0.895 on ASOCA, showing superior results. Especially, our geometry-based model generates an accurate, intact and smooth coronary artery, devoid of any fragmentations of segmented vessels.

MetaGPT: Meta Programming for Multi-Agent Collaborative Framework

Recently, remarkable progress has been made in automated task-solving through the use of multi-agent driven by large language models (LLMs). However, existing LLM-based multi-agent works primarily focus on solving simple dialogue tasks, and complex tasks are rarely studied, mainly due to the LLM hallucination problem. This type of hallucination becomes cascading when naively chaining multiple intelligent agents, resulting in a failure to effectively address complex problems. Therefore, we introduce MetaGPT, an innovative framework that incorporates efficient human workflows as a meta programming approach into LLM-based multi-agent collaboration. Specifically, MetaGPT encodes Standardized Operating Procedures (SOPs) into prompts to enhance structured coordination. Subsequently, it mandates modular outputs, empowering agents with domain expertise comparable to human professionals, to validate outputs and minimize compounded errors. In this way, MetaGPT leverages the assembly line paradigm to assign diverse roles to various agents, thereby establishing a framework that can effectively and cohesively deconstruct complex multi-agent collaborative problems. Our experiments on collaborative software engineering benchmarks demonstrate that MetaGPT generates more coherent and correct solutions compared to existing chat-based multi-agent systems. This highlights the potential of integrating human domain knowledge into multi-agent systems, thereby creating new opportunities to tackle complex real-world challenges. The GitHub repository of this project is publicly available on:https://github.com/geekan/MetaGPT.

LAVIE: High-Quality Video Generation with Cascaded Latent Diffusion Models

This work aims to learn a high-quality text-to-video (T2V) generative model by leveraging a pre-trained text-to-image (T2I) model as a basis. It is a highly desirable yet challenging task to simultaneously a) accomplish the synthesis of visually realistic and temporally coherent videos while b) preserving the strong creative generation nature of the pre-trained T2I model. To this end, we propose LaVie, an integrated video generation framework that operates on cascaded video latent diffusion models, comprising a base T2V model, a temporal interpolation model, and a video super-resolution model. Our key insights are two-fold: 1) We reveal that the incorporation of simple temporal self-attentions, coupled with rotary positional encoding, adequately captures the temporal correlations inherent in video data. 2) Additionally, we validate that the process of joint image-video fine-tuning plays a pivotal role in producing high-quality and creative outcomes. To enhance the performance of LaVie, we contribute a comprehensive and diverse video dataset named Vimeo25M, consisting of 25 million text-video pairs that prioritize quality, diversity, and aesthetic appeal. Extensive experiments demonstrate that LaVie achieves state-of-the-art performance both quantitatively and qualitatively. Furthermore, we showcase the versatility of pre-trained LaVie models in various long video generation and personalized video synthesis applications.

SimpleGVR: A Simple Baseline for Latent-Cascaded Video Super-Resolution

Latent diffusion models have emerged as a leading paradigm for efficient video generation. However, as user expectations shift toward higher-resolution outputs, relying solely on latent computation becomes inadequate. A promising approach involves decoupling the process into two stages: semantic content generation and detail synthesis. The former employs a computationally intensive base model at lower resolutions, while the latter leverages a lightweight cascaded video super-resolution (VSR) model to achieve high-resolution output. In this work, we focus on studying key design principles for latter cascaded VSR models, which are underexplored currently. First, we propose two degradation strategies to generate training pairs that better mimic the output characteristics of the base model, ensuring alignment between the VSR model and its upstream generator. Second, we provide critical insights into VSR model behavior through systematic analysis of (1) timestep sampling strategies, (2) noise augmentation effects on low-resolution (LR) inputs. These findings directly inform our architectural and training innovations. Finally, we introduce interleaving temporal unit and sparse local attention to achieve efficient training and inference, drastically reducing computational overhead. Extensive experiments demonstrate the superiority of our framework over existing methods, with ablation studies confirming the efficacy of each design choice. Our work establishes a simple yet effective baseline for cascaded video super-resolution generation, offering practical insights to guide future advancements in efficient cascaded synthesis systems.

EfficientViT: Memory Efficient Vision Transformer with Cascaded Group Attention

Vision transformers have shown great success due to their high model capabilities. However, their remarkable performance is accompanied by heavy computation costs, which makes them unsuitable for real-time applications. In this paper, we propose a family of high-speed vision transformers named EfficientViT. We find that the speed of existing transformer models is commonly bounded by memory inefficient operations, especially the tensor reshaping and element-wise functions in MHSA. Therefore, we design a new building block with a sandwich layout, i.e., using a single memory-bound MHSA between efficient FFN layers, which improves memory efficiency while enhancing channel communication. Moreover, we discover that the attention maps share high similarities across heads, leading to computational redundancy. To address this, we present a cascaded group attention module feeding attention heads with different splits of the full feature, which not only saves computation cost but also improves attention diversity. Comprehensive experiments demonstrate EfficientViT outperforms existing efficient models, striking a good trade-off between speed and accuracy. For instance, our EfficientViT-M5 surpasses MobileNetV3-Large by 1.9% in accuracy, while getting 40.4% and 45.2% higher throughput on Nvidia V100 GPU and Intel Xeon CPU, respectively. Compared to the recent efficient model MobileViT-XXS, EfficientViT-M2 achieves 1.8% superior accuracy, while running 5.8x/3.7x faster on the GPU/CPU, and 7.4x faster when converted to ONNX format. Code and models are available at https://github.com/microsoft/Cream/tree/main/EfficientViT.

Exemplar-free Continual Learning of Vision Transformers via Gated Class-Attention and Cascaded Feature Drift Compensation

We propose a new method for exemplar-free class incremental training of ViTs. The main challenge of exemplar-free continual learning is maintaining plasticity of the learner without causing catastrophic forgetting of previously learned tasks. This is often achieved via exemplar replay which can help recalibrate previous task classifiers to the feature drift which occurs when learning new tasks. Exemplar replay, however, comes at the cost of retaining samples from previous tasks which for many applications may not be possible. To address the problem of continual ViT training, we first propose gated class-attention to minimize the drift in the final ViT transformer block. This mask-based gating is applied to class-attention mechanism of the last transformer block and strongly regulates the weights crucial for previous tasks. Importantly, gated class-attention does not require the task-ID during inference, which distinguishes it from other parameter isolation methods. Secondly, we propose a new method of feature drift compensation that accommodates feature drift in the backbone when learning new tasks. The combination of gated class-attention and cascaded feature drift compensation allows for plasticity towards new tasks while limiting forgetting of previous ones. Extensive experiments performed on CIFAR-100, Tiny-ImageNet and ImageNet100 demonstrate that our exemplar-free method obtains competitive results when compared to rehearsal based ViT methods.

FashionNTM: Multi-turn Fashion Image Retrieval via Cascaded Memory

Multi-turn textual feedback-based fashion image retrieval focuses on a real-world setting, where users can iteratively provide information to refine retrieval results until they find an item that fits all their requirements. In this work, we present a novel memory-based method, called FashionNTM, for such a multi-turn system. Our framework incorporates a new Cascaded Memory Neural Turing Machine (CM-NTM) approach for implicit state management, thereby learning to integrate information across all past turns to retrieve new images, for a given turn. Unlike vanilla Neural Turing Machine (NTM), our CM-NTM operates on multiple inputs, which interact with their respective memories via individual read and write heads, to learn complex relationships. Extensive evaluation results show that our proposed method outperforms the previous state-of-the-art algorithm by 50.5%, on Multi-turn FashionIQ -- the only existing multi-turn fashion dataset currently, in addition to having a relative improvement of 12.6% on Multi-turn Shoes -- an extension of the single-turn Shoes dataset that we created in this work. Further analysis of the model in a real-world interactive setting demonstrates two important capabilities of our model -- memory retention across turns, and agnosticity to turn order for non-contradictory feedback. Finally, user study results show that images retrieved by FashionNTM were favored by 83.1% over other multi-turn models. Project page: https://sites.google.com/eng.ucsd.edu/fashionntm

Opening the Blackbox: Accelerating Neural Differential Equations by Regularizing Internal Solver Heuristics

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

Chain-of-Experts: Unlocking the Communication Power of Mixture-of-Experts Models

We propose Chain-of-Experts (CoE), a new Mixture-of-Experts (MoE) architecture that introduces sequential expert communication within each layer. Unlike traditional MoE models, where experts operate independently in parallel, CoE processes tokens iteratively across a chain of experts inside a layer. To support dynamic expert selection across iterations, CoE employs a dedicated router at each iteration step within a layer. This design allows tokens to re-evaluate and select different experts during each iteration, rather than being statically assigned. As a result, CoE introduces a flexible routing mechanism that increases the diversity of expert combinations and enriches the model's representational capacity. CoE demonstrates improved performance under fixed compute: on math reasoning tasks, it reduces validation loss from 1.20 to 1.12 compared to a standard MoE. Beyond performance, CoE offers a new scaling axis: depth through expert iteration, which complements conventional width/depth scaling. For example, using 2x iterations matches the performance of 3x expert selections (in width), while reducing memory usage by 17.6-42% relative to other scaling strategies. Our analysis reveals that CoE's benefits stem from its iterative residual structure and enhanced expert specialization empowered by iterative routing, which together unlock more expressive representations. Code is available at https://github.com/ZihanWang314/coe.

CasP: Improving Semi-Dense Feature Matching Pipeline Leveraging Cascaded Correspondence Priors for Guidance

Semi-dense feature matching methods have shown strong performance in challenging scenarios. However, the existing pipeline relies on a global search across the entire feature map to establish coarse matches, limiting further improvements in accuracy and efficiency. Motivated by this limitation, we propose a novel pipeline, CasP, which leverages cascaded correspondence priors for guidance. Specifically, the matching stage is decomposed into two progressive phases, bridged by a region-based selective cross-attention mechanism designed to enhance feature discriminability. In the second phase, one-to-one matches are determined by restricting the search range to the one-to-many prior areas identified in the first phase. Additionally, this pipeline benefits from incorporating high-level features, which helps reduce the computational costs of low-level feature extraction. The acceleration gains of CasP increase with higher resolution, and our lite model achieves a speedup of sim2.2times at a resolution of 1152 compared to the most efficient method, ELoFTR. Furthermore, extensive experiments demonstrate its superiority in geometric estimation, particularly with impressive cross-domain generalization. These advantages highlight its potential for latency-sensitive and high-robustness applications, such as SLAM and UAV systems. Code is available at https://github.com/pq-chen/CasP.

Flows: Building Blocks of Reasoning and Collaborating AI

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework of Flows: a systematic approach to modeling complex interactions. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design allows Flows to be recursively composed into arbitrarily nested interactions, with a substantial reduction of complexity. Crucially, any interaction can be implemented using this framework, including prior work on AI--AI and human--AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on the task of competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human--AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library. The library comes with a repository of Flows that can be easily used, extended, and composed into novel, more complex Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

Cascading Reinforcement Learning

Cascading bandits have gained popularity in recent years due to their applicability to recommendation systems and online advertising. In the cascading bandit model, at each timestep, an agent recommends an ordered subset of items (called an item list) from a pool of items, each associated with an unknown attraction probability. Then, the user examines the list, and clicks the first attractive item (if any), and after that, the agent receives a reward. The goal of the agent is to maximize the expected cumulative reward. However, the prior literature on cascading bandits ignores the influences of user states (e.g., historical behaviors) on recommendations and the change of states as the session proceeds. Motivated by this fact, we propose a generalized cascading RL framework, which considers the impact of user states and state transition into decisions. In cascading RL, we need to select items not only with large attraction probabilities but also leading to good successor states. This imposes a huge computational challenge due to the combinatorial action space. To tackle this challenge, we delve into the properties of value functions, and design an oracle BestPerm to efficiently find the optimal item list. Equipped with BestPerm, we develop two algorithms CascadingVI and CascadingBPI, which are both computationally-efficient and sample-efficient, and provide near-optimal regret and sample complexity guarantees. Furthermore, we present experiments to show the improved computational and sample efficiencies of our algorithms compared to straightforward adaptations of existing RL algorithms in practice.

Chain-of-Agents: End-to-End Agent Foundation Models via Multi-Agent Distillation and Agentic RL

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing multi-agent systems are built upon manual prompt/workflow engineering with sophisticated agent frameworks, making them computationally inefficient, less capable, and can not benefit from data-centric learning. In this work, we introduce Chain-of-Agents (CoA), a novel paradigm of LLM reasoning that enables native end-to-end complex problem-solving in the same way as a multi-agent system (i.e., multi-turn problem solving with multiple tools and multiple agents) within one model. In chain-of-agents problem-solving, the model dynamically activates different tool agents and role-playing agents to simulate multi-agent collaboration in an end-to-end fashion. To elicit end-to-end chain-of-agents problem-solving abilities in LLMs, we introduce a multi-agent distillation framework to distill state-of-the-art multi-agent systems into chain-of-agents trajectories for agentic supervised fine-tuning. We then use agentic reinforcement learning on verifiable agentic tasks to further improve the models' capabilities on chain-of-agents problem solving. We call the resulting models Agent Foundation Models (AFMs). Our empirical studies demonstrate that AFM establishes new state-of-the-art performance across diverse benchmarks in both web agent and code agent settings. We make the entire research, including the model weights, code for training and evaluation, and the training data, fully open-sourced, which offers a solid starting point for future research on agent models and agentic RL.

PROSE: Predicting Operators and Symbolic Expressions using Multimodal Transformers

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling. Previous works have focused on embedding dynamical systems into networks through two approaches: learning a single solution operator (i.e., the mapping from input parametrized functions to solutions) or learning the governing system of equations (i.e., the constitutive model relative to the state variables). Both of these approaches yield different representations for the same underlying data or function. Additionally, observing that families of differential equations often share key characteristics, we seek one network representation across a wide range of equations. Our method, called Predicting Operators and Symbolic Expressions (PROSE), learns maps from multimodal inputs to multimodal outputs, capable of generating both numerical predictions and mathematical equations. By using a transformer structure and a feature fusion approach, our network can simultaneously embed sets of solution operators for various parametric differential equations using a single trained network. Detailed experiments demonstrate that the network benefits from its multimodal nature, resulting in improved prediction accuracy and better generalization. The network is shown to be able to handle noise in the data and errors in the symbolic representation, including noisy numerical values, model misspecification, and erroneous addition or deletion of terms. PROSE provides a new neural network framework for differential equations which allows for more flexibility and generality in learning operators and governing equations from data.

Control of Medical Digital Twins with Artificial Neural Networks

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

UDC: A Unified Neural Divide-and-Conquer Framework for Large-Scale Combinatorial Optimization Problems

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master.

Multiphysics Bench: Benchmarking and Investigating Scientific Machine Learning for Multiphysics PDEs

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

Mathematical modelling of flow and adsorption in a gas chromatograph

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.

Light Schrödinger Bridge

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

Automated Design of Agentic Systems

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depends on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrating along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions unlike previously proposed methods. We demonstrate the ability of MFM to improve prediction of individual treatment responses on a large scale multi-patient single-cell drug screen dataset.

Empirical Analysis of the Hessian of Over-Parametrized Neural Networks

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

LogicSolver: Towards Interpretable Math Word Problem Solving with Logical Prompt-enhanced Learning

Recently, deep learning models have made great progress in MWP solving on answer accuracy. However, they are uninterpretable since they mainly rely on shallow heuristics to achieve high performance without understanding and reasoning the grounded math logic. To address this issue and make a step towards interpretable MWP solving, we first construct a high-quality MWP dataset named InterMWP which consists of 11,495 MWPs and annotates interpretable logical formulas based on algebraic knowledge as the grounded linguistic logic of each solution equation. Different from existing MWP datasets, our InterMWP benchmark asks for a solver to not only output the solution expressions but also predict the corresponding logical formulas. We further propose a novel approach with logical prompt and interpretation generation, called LogicSolver. For each MWP, our LogicSolver first retrieves some highly-correlated algebraic knowledge and then passes them to the backbone model as prompts to improve the semantic representations of MWPs. With these improved semantic representations, our LogicSolver generates corresponding solution expressions and interpretable knowledge formulas in accord with the generated solution expressions, simultaneously. Experimental results show that our LogicSolver has stronger logical formula-based interpretability than baselines while achieving higher answer accuracy with the help of logical prompts, simultaneously. The source code and dataset is available at https://github.com/yangzhch6/InterMWP.

Polymorphic Combinatorial Frameworks (PCF): Guiding the Design of Mathematically-Grounded, Adaptive AI Agents

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike static agent architectures, PCF enables real-time parameter reconfiguration through mathematically-grounded combinatorial spaces, allowing agents to adapt their core behavioral traits dynamically. Grounded in combinatorial logic, topos theory, and rough fuzzy set theory, PCF defines a multidimensional SPARK parameter space (Skills, Personalities, Approaches, Resources, Knowledge) to capture agent behaviors. This paper demonstrates how LLMs can parameterize complex spaces and estimate likely parameter values/variabilities. Using PCF, we parameterized mock caf\'e domains (five levels of complexity), estimated variables/variabilities, and conducted over 1.25 million Monte Carlo simulations. The results revealed trends in agent adaptability and performance across the five complexity tiers, with diminishing returns at higher complexity levels highlighting thresholds for scalable designs. PCF enables the generation of optimized agent configurations for specific scenarios while maintaining logical consistency. This framework supports scalable, dynamic, explainable, and ethical AI applications in domains like customer service, healthcare, robotics, and collaborative systems, paving the way for adaptable and cooperative next-generation polymorphic agents.

On Neural Differential Equations

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.

On the Generalization Mystery in Deep Learning

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Optimizing NOTEARS Objectives via Topological Swaps

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections is commonly used by prior studies to enable multi-scale processing, our analysis shows that the need for features to evolve across layers results in temporally misaligned features in skip connections, which limits the model's performance. To address this limitation, we propose SineNet, consisting of multiple sequentially connected U-shaped network blocks, referred to as waves. In SineNet, high-resolution features are evolved progressively through multiple stages, thereby reducing the amount of misalignment within each stage. We furthermore analyze the role of skip connections in enabling both parallel and sequential processing of multi-scale information. Our method is rigorously tested on multiple PDE datasets, including the Navier-Stokes equations and shallow water equations, showcasing the advantages of our proposed approach over conventional U-Nets with a comparable parameter budget. We further demonstrate that increasing the number of waves in SineNet while maintaining the same number of parameters leads to a monotonically improved performance. The results highlight the effectiveness of SineNet and the potential of our approach in advancing the state-of-the-art in neural PDE solver design. Our code is available as part of AIRS (https://github.com/divelab/AIRS).

TextGrad: Automatic "Differentiation" via Text

AI is undergoing a paradigm shift, with breakthroughs achieved by systems orchestrating multiple large language models (LLMs) and other complex components. As a result, developing principled and automated optimization methods for compound AI systems is one of the most important new challenges. Neural networks faced a similar challenge in its early days until backpropagation and automatic differentiation transformed the field by making optimization turn-key. Inspired by this, we introduce TextGrad, a powerful framework performing automatic ``differentiation'' via text. TextGrad backpropagates textual feedback provided by LLMs to improve individual components of a compound AI system. In our framework, LLMs provide rich, general, natural language suggestions to optimize variables in computation graphs, ranging from code snippets to molecular structures. TextGrad follows PyTorch's syntax and abstraction and is flexible and easy-to-use. It works out-of-the-box for a variety of tasks, where the users only provide the objective function without tuning components or prompts of the framework. We showcase TextGrad's effectiveness and generality across a diverse range of applications, from question answering and molecule optimization to radiotherapy treatment planning. Without modifying the framework, TextGrad improves the zero-shot accuracy of GPT-4o in Google-Proof Question Answering from 51% to 55%, yields 20% relative performance gain in optimizing LeetCode-Hard coding problem solutions, improves prompts for reasoning, designs new druglike small molecules with desirable in silico binding, and designs radiation oncology treatment plans with high specificity. TextGrad lays a foundation to accelerate the development of the next-generation of AI systems.

An efficient Asymptotic-Preserving scheme for the Boltzmann mixture with disparate mass

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.

Cascade R-CNN: Delving into High Quality Object Detection

In object detection, an intersection over union (IoU) threshold is required to define positives and negatives. An object detector, trained with low IoU threshold, e.g. 0.5, usually produces noisy detections. However, detection performance tends to degrade with increasing the IoU thresholds. Two main factors are responsible for this: 1) overfitting during training, due to exponentially vanishing positive samples, and 2) inference-time mismatch between the IoUs for which the detector is optimal and those of the input hypotheses. A multi-stage object detection architecture, the Cascade R-CNN, is proposed to address these problems. It consists of a sequence of detectors trained with increasing IoU thresholds, to be sequentially more selective against close false positives. The detectors are trained stage by stage, leveraging the observation that the output of a detector is a good distribution for training the next higher quality detector. The resampling of progressively improved hypotheses guarantees that all detectors have a positive set of examples of equivalent size, reducing the overfitting problem. The same cascade procedure is applied at inference, enabling a closer match between the hypotheses and the detector quality of each stage. A simple implementation of the Cascade R-CNN is shown to surpass all single-model object detectors on the challenging COCO dataset. Experiments also show that the Cascade R-CNN is widely applicable across detector architectures, achieving consistent gains independently of the baseline detector strength. The code will be made available at https://github.com/zhaoweicai/cascade-rcnn.

Efficient and Modular Implicit Differentiation

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

Simplicial Closure and higher-order link prediction

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.