Daily Papers

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a greedy left-right fashion retaining only the top-B candidates - resulting in sequences that differ only slightly from each other. Producing lists of nearly identical sequences is not only computationally wasteful but also typically fails to capture the inherent ambiguity of complex AI tasks. To overcome this problem, we propose Diverse Beam Search (DBS), an alternative to BS that decodes a list of diverse outputs by optimizing for a diversity-augmented objective. We observe that our method finds better top-1 solutions by controlling for the exploration and exploitation of the search space - implying that DBS is a better search algorithm. Moreover, these gains are achieved with minimal computational or memory over- head as compared to beam search. To demonstrate the broad applicability of our method, we present results on image captioning, machine translation and visual question generation using both standard quantitative metrics and qualitative human studies. Further, we study the role of diversity for image-grounded language generation tasks as the complexity of the image changes. We observe that our method consistently outperforms BS and previously proposed techniques for diverse decoding from neural sequence models.

Two-step approaches, in which summary candidates are generated-then-reranked to return a single summary, can improve ROUGE scores over the standard single-step approach. Yet, standard decoding methods (i.e., beam search, nucleus sampling, and diverse beam search) produce candidates with redundant, and often low quality, content. In this paper, we design a novel method to generate candidates for re-ranking that addresses these issues. We ground each candidate abstract on its own unique content plan and generate distinct plan-guided abstracts using a model's top beam. More concretely, a standard language model (a BART LM) auto-regressively generates elemental discourse unit (EDU) content plans with an extractive copy mechanism. The top K beams from the content plan generator are then used to guide a separate LM, which produces a single abstractive candidate for each distinct plan. We apply an existing re-ranker (BRIO) to abstractive candidates generated from our method, as well as baseline decoding methods. We show large relevance improvements over previously published methods on widely used single document news article corpora, with ROUGE-2 F1 gains of 0.88, 2.01, and 0.38 on CNN / Dailymail, NYT, and Xsum, respectively. A human evaluation on CNN / DM validates these results. Similarly, on 1k samples from CNN / DM, we show that prompting GPT-3 to follow EDU plans outperforms sampling-based methods by 1.05 ROUGE-2 F1 points. Code to generate and realize plans is available at https://github.com/griff4692/edu-sum.

As free online encyclopedias with massive volumes of content, Wikipedia and Wikidata are key to many Natural Language Processing (NLP) tasks, such as information retrieval, knowledge base building, machine translation, text classification, and text summarization. In this paper, we introduce WikiDes, a novel dataset to generate short descriptions of Wikipedia articles for the problem of text summarization. The dataset consists of over 80k English samples on 6987 topics. We set up a two-phase summarization method - description generation (Phase I) and candidate ranking (Phase II) - as a strong approach that relies on transfer and contrastive learning. For description generation, T5 and BART show their superiority compared to other small-scale pre-trained models. By applying contrastive learning with the diverse input from beam search, the metric fusion-based ranking models outperform the direct description generation models significantly up to 22 ROUGE in topic-exclusive split and topic-independent split. Furthermore, the outcome descriptions in Phase II are supported by human evaluation in over 45.33% chosen compared to 23.66% in Phase I against the gold descriptions. In the aspect of sentiment analysis, the generated descriptions cannot effectively capture all sentiment polarities from paragraphs while doing this task better from the gold descriptions. The automatic generation of new descriptions reduces the human efforts in creating them and enriches Wikidata-based knowledge graphs. Our paper shows a practical impact on Wikipedia and Wikidata since there are thousands of missing descriptions. Finally, we expect WikiDes to be a useful dataset for related works in capturing salient information from short paragraphs. The curated dataset is publicly available at: https://github.com/declare-lab/WikiDes.

Recent advancements have significantly augmented the reasoning capabilities of Large Language Models (LLMs) through various methodologies, especially chain-of-thought (CoT) reasoning. However, previous methods fail to address reasoning errors in intermediate steps, leading to accumulative errors. In this paper, we propose Deductive Beam Search (DBS), which seamlessly integrates CoT and deductive reasoning with step-wise beam search for LLMs. Our approach deploys a verifier, verifying the deducibility of a reasoning step and its premises, thus alleviating the error accumulation. Furthermore, we introduce a scalable and labor-free data construction method to amplify our model's verification capabilities. Extensive experiments demonstrate that our approach significantly enhances the base performance of LLMs of various scales (7B, 13B, 70B, and ChatGPT) across 8 reasoning datasets from 3 diverse reasoning genres, including arithmetic, commonsense, and symbolic. Moreover, our analysis proves DBS's capability of detecting diverse and subtle reasoning errors and robustness on different model scales.

Beam search is the default decoding strategy for many sequence generation tasks in NLP. The set of approximate K-best items returned by the algorithm is a useful summary of the distribution for many applications; however, the candidates typically exhibit high overlap and may give a highly biased estimate for expectations under our model. These problems can be addressed by instead using stochastic decoding strategies. In this work, we propose a new method for turning beam search into a stochastic process: Conditional Poisson stochastic beam search. Rather than taking the maximizing set at each iteration, we sample K candidates without replacement according to the conditional Poisson sampling design. We view this as a more natural alternative to Kool et. al. 2019's stochastic beam search (SBS). Furthermore, we show how samples generated under the CPSBS design can be used to build consistent estimators and sample diverse sets from sequence models. In our experiments, we observe CPSBS produces lower variance and more efficient estimators than SBS, even showing improvements in high entropy settings.

Decoding methods for large language models often trade-off between diversity of outputs and parallelism of computation. Methods such as beam search and Gumbel top-k sampling can guarantee a different output for each element of the beam, but are not easy to parallelize. Alternatively, methods such as temperature sampling and its modifications (top-k sampling, nucleus sampling, typical decoding, and others), are embarrassingly parallel, but have no guarantees about duplicate samples. We present a framework for sampling according to an arithmetic code book implicitly defined by a large language model, compatible with common sampling variations, with provable beam diversity under certain conditions, as well as being embarrassingly parallel and providing unbiased and consistent expectations from the original model. We demonstrate the effectiveness of our approach on WMT machine translation, more than halving the standard deviation when estimating expected BLEU score reward, and closing the BLEU score gap between independent sampling and beam search by up to 63%.

In open-ended natural-language generation, existing text decoding methods typically struggle to produce text which is both diverse and high-quality. Greedy and beam search are known to suffer from text degeneration and linguistic diversity issues, while temperature, top-k, and nucleus sampling often yield diverse but low-quality outputs. In this work, we present crowd sampling, a family of decoding methods based on Bayesian risk minimization, to address this diversity-quality trade-off. Inspired by the principle of "the wisdom of the crowd," crowd sampling seeks to select a candidate from a pool of candidates that has the least expected risk (i.e., highest expected reward) under a generative model according to a given utility function. Crowd sampling can be seen as a generalization of numerous existing methods, including majority voting, and in practice, it can be used as a drop-in replacement for existing sampling methods. Extensive experiments show that crowd sampling delivers improvements of 3-7 ROUGE and BLEU points across a wide range of tasks, including summarization, data-to-text, translation, and textual style transfer, while achieving new state-of-the-art results on WebNLG and WMT'16.

Even after fine-tuning and reinforcement learning, large language models (LLMs) can be difficult, if not impossible, to control reliably with prompts alone. We propose a new inference-time approach to enforcing syntactic and semantic constraints on the outputs of LLMs, called sequential Monte Carlo (SMC) steering. The key idea is to specify language generation tasks as posterior inference problems in a class of discrete probabilistic sequence models, and replace standard decoding with sequential Monte Carlo inference. For a computational cost similar to that of beam search, SMC can steer LLMs to solve diverse tasks, including infilling, generation under syntactic constraints, and prompt intersection. To facilitate experimentation with SMC steering, we present a probabilistic programming library, LLaMPPL (https://github.com/probcomp/hfppl), for concisely specifying new generation tasks as language model probabilistic programs, and automating steering of LLaMA-family Transformers.

Reasoning language models (RLMs), also known as Large Reasoning Models (LRMs), such as OpenAI's o1 and o3, DeepSeek-V3, and Alibaba's QwQ, have redefined AI's problem-solving capabilities by extending large language models (LLMs) with advanced reasoning mechanisms. Yet, their high costs, proprietary nature, and complex architectures - uniquely combining Reinforcement Learning (RL), search heuristics, and LLMs - present accessibility and scalability challenges. To address these, we propose a comprehensive blueprint that organizes RLM components into a modular framework, based on a survey and analysis of all RLM works. This blueprint incorporates diverse reasoning structures (chains, trees, graphs, and nested forms), reasoning strategies (e.g., Monte Carlo Tree Search, Beam Search), RL concepts (policy, value models and others), and supervision schemes (Output-Based and Process-Based Supervision). We also provide detailed mathematical formulations and algorithmic specifications to simplify RLM implementation. By showing how schemes like LLaMA-Berry, QwQ, Journey Learning, and Graph of Thoughts fit as special cases, we demonstrate the blueprint's versatility and unifying potential. To illustrate its utility, we introduce x1, a modular implementation for rapid RLM prototyping and experimentation. Using x1 and a literature review, we provide key insights, such as multi-phase training for policy and value models, and the importance of familiar training distributions. Finally, we outline how RLMs can integrate with a broader LLM ecosystem, including tools and databases. Our work demystifies RLM construction, democratizes advanced reasoning capabilities, and fosters innovation, aiming to mitigate the gap between "rich AI" and "poor AI" by lowering barriers to RLM development and experimentation.

The remarkable capability of large language models (LLMs) for in-context learning (ICL) needs to be activated by demonstration examples. Prior work has extensively explored the selection of examples for ICL, predominantly following the "select then organize" paradigm, such approaches often neglect the internal relationships between examples and exist an inconsistency between the training and inference. In this paper, we formulate the problem as a sequential selection problem and introduce Se^2, a sequential-aware method that leverages the LLM's feedback on varying context, aiding in capturing inter-relationships and sequential information among examples, significantly enriching the contextuality and relevance of ICL prompts. Meanwhile, we utilize beam search to seek and construct example sequences, enhancing both quality and diversity. Extensive experiments across 23 NLP tasks from 8 distinct categories illustrate that Se^2 markedly surpasses competitive baselines and achieves 42% relative improvement over random selection. Further in-depth analysis show the effectiveness of proposed strategies, highlighting Se^2's exceptional stability and adaptability across various scenarios. Our code will be released to facilitate future research.

Decoding for many NLP tasks requires an effective heuristic algorithm for approximating exact search since the problem of searching the full output space is often intractable, or impractical in many settings. The default algorithm for this job is beam search -- a pruned version of breadth-first search. Quite surprisingly, beam search often returns better results than exact inference due to beneficial search bias for NLP tasks. In this work, we show that the standard implementation of beam search can be made up to 10x faster in practice. Our method assumes that the scoring function is monotonic in the sequence length, which allows us to safely prune hypotheses that cannot be in the final set of hypotheses early on. We devise effective monotonic approximations to popular nonmonontic scoring functions, including length normalization and mutual information decoding. Lastly, we propose a memory-reduced variant of Best-First Beam Search, which has a similar beneficial search bias in terms of downstream performance, but runs in a fraction of the time.

We combine beam search with the probabilistic pruning technique of nucleus sampling to create two deterministic nucleus search algorithms for natural language generation. The first algorithm, p-exact search, locally prunes the next-token distribution and performs an exact search over the remaining space. The second algorithm, dynamic beam search, shrinks and expands the beam size according to the entropy of the candidate's probability distribution. Despite the probabilistic intuition behind nucleus search, experiments on machine translation and summarization benchmarks show that both algorithms reach the same performance levels as standard beam search.

We present Grid Beam Search (GBS), an algorithm which extends beam search to allow the inclusion of pre-specified lexical constraints. The algorithm can be used with any model that generates a sequence hat{y} = {y_{0}ldots y_{T}} , by maximizing p(y | x) = prodlimits_{t}p(y_{t} | x; {y_{0} ldots y_{t-1}}) . Lexical constraints take the form of phrases or words that must be present in the output sequence. This is a very general way to incorporate additional knowledge into a model's output without requiring any modification of the model parameters or training data. We demonstrate the feasibility and flexibility of Lexically Constrained Decoding by conducting experiments on Neural Interactive-Predictive Translation, as well as Domain Adaptation for Neural Machine Translation. Experiments show that GBS can provide large improvements in translation quality in interactive scenarios, and that, even without any user input, GBS can be used to achieve significant gains in performance in domain adaptation scenarios.

We endow Large Language Models (LLMs) with fine-grained self-evaluation to refine multi-step reasoning inference. We propose an effective prompting approach that integrates self-evaluation guidance through stochastic beam search. Our approach explores the reasoning search space using a well-calibrated automatic criterion. This enables an efficient search to produce higher-quality final predictions. With the self-evaluation guided stochastic beam search, we also balance the quality-diversity trade-off in the generation of reasoning chains. This allows our approach to adapt well with majority voting and surpass the corresponding Codex-backboned baselines by 6.34%, 9.56%, and 5.46% on the GSM8K, AQuA, and StrategyQA benchmarks, respectively, in few-shot accuracy. Analysis of our decompositional reasoning finds it pinpoints logic failures and leads to higher consistency and robustness. Our code is publicly available at https://github.com/YuxiXie/SelfEval-Guided-Decoding.

Quite surprisingly, exact maximum a posteriori (MAP) decoding of neural language generators frequently leads to low-quality results. Rather, most state-of-the-art results on language generation tasks are attained using beam search despite its overwhelmingly high search error rate. This implies that the MAP objective alone does not express the properties we desire in text, which merits the question: if beam search is the answer, what was the question? We frame beam search as the exact solution to a different decoding objective in order to gain insights into why high probability under a model alone may not indicate adequacy. We find that beam search enforces uniform information density in text, a property motivated by cognitive science. We suggest a set of decoding objectives that explicitly enforce this property and find that exact decoding with these objectives alleviates the problems encountered when decoding poorly calibrated language generation models. Additionally, we analyze the text produced using various decoding strategies and see that, in our neural machine translation experiments, the extent to which this property is adhered to strongly correlates with BLEU.

Text generation with beam search has proven successful in a wide range of applications. The commonly-used implementation of beam decoding follows a first come, first served heuristic: it keeps a set of already completed sequences over time steps and stops when the size of this set reaches the beam size. We introduce a patience factor, a simple modification to this decoding algorithm, that generalizes the stopping criterion and provides flexibility to the depth of search. Extensive empirical results demonstrate that the patience factor improves decoding performance of strong pretrained models on news text summarization and machine translation over diverse language pairs, with a negligible inference slowdown. Our approach only modifies one line of code and can be thus readily incorporated in any implementation.

While scaling training compute has led to remarkable improvements in large language models (LLMs), scaling inference compute has not yet yielded analogous gains. We hypothesize that a core missing component is a lack of diverse LLM outputs, leading to inefficient search due to models repeatedly sampling highly similar, yet incorrect generations. We empirically demonstrate that this lack of diversity can be mitigated by searching over candidate plans for solving a problem in natural language. Based on this insight, we propose PLANSEARCH, a novel search algorithm which shows strong results across HumanEval+, MBPP+, and LiveCodeBench (a contamination-free benchmark for competitive coding). PLANSEARCH generates a diverse set of observations about the problem and then uses these observations to construct plans for solving the problem. By searching over plans in natural language rather than directly over code solutions, PLANSEARCH explores a significantly more diverse range of potential solutions compared to baseline search methods. Using PLANSEARCH on top of Claude 3.5 Sonnet achieves a state-of-the-art pass@200 of 77.0% on LiveCodeBench, outperforming both the best score achieved without search (pass@1 = 41.4%) and using standard repeated sampling (pass@200 = 60.6%). Finally, we show that, across all models, search algorithms, and benchmarks analyzed, we can accurately predict performance gains due to search as a direct function of the diversity over generated ideas.

The hypothesis that pretrained large language models (LLMs) necessitate only minimal supervision during the fine-tuning (SFT) stage (Zhou et al., 2024) has been substantiated by recent advancements in data curation and selection research. However, their stability and generalizability are compromised due to the vulnerability to experimental setups and validation protocols, falling short of surpassing random sampling (Diddee & Ippolito, 2024; Xia et al., 2024b). Built upon LLMs, multi-modal LLMs (MLLMs), combined with the sheer token volume and heightened heterogeneity of data sources, amplify both the significance and complexity of data selection. To harvest multi-modal instructional data in a robust and efficient manner, we re-define the granularity of the quality metric by decomposing it into 14 vision-language-related capabilities, and introduce multi-modal rich scorers to evaluate the capabilities of each data candidate. To promote diversity, in light of the inherent objective of the alignment stage, we take interaction style as diversity indicator and use a multi-modal rich styler to identify data instruction patterns. In doing so, our multi-modal rich scorers and styler (mmSSR) guarantee that high-scoring information is conveyed to users in diversified forms. Free from embedding-based clustering or greedy sampling, mmSSR efficiently scales to millions of data with varying budget constraints, supports customization for general or specific capability acquisition, and facilitates training-free generalization to new domains for curation. Across 10+ experimental settings, validated by 14 multi-modal benchmarks, we demonstrate consistent improvements over random sampling, baseline strategies and state-of-the-art selection methods, achieving 99.1% of full performance with only 30% of the 2.6M data.

This work delved into the realm of automatic text generation, exploring a variety of techniques ranging from traditional deterministic approaches to more modern stochastic methods. Through analysis of greedy search, beam search, top-k sampling, top-p sampling, contrastive searching, and locally typical searching, this work has provided valuable insights into the strengths, weaknesses, and potential applications of each method. Each text-generating method is evaluated using several standard metrics and a comparative study has been made on the performance of the approaches. Finally, some future directions of research in the field of automatic text generation are also identified.

Conditional neural text generation models generate high-quality outputs, but often concentrate around a mode when what we really want is a diverse set of options. We present a search algorithm to construct lattices encoding a massive number of generation options. First, we restructure decoding as a best-first search, which explores the space differently than beam search and improves efficiency by avoiding pruning paths. Second, we revisit the idea of hypothesis recombination: we can identify pairs of similar generation candidates during search and merge them as an approximation. On both summarization and machine translation, we show that our algorithm encodes thousands of diverse options that remain grammatical and high-quality into one lattice. This algorithm provides a foundation for building downstream generation applications on top of massive-scale diverse outputs.

We aim to select data subsets for the fine-tuning of large language models to more effectively follow instructions. Prior work has emphasized the importance of diversity in dataset curation but relied on heuristics such as the number of tasks. In this paper, we use determinantal point processes to capture the diversity and quality of instruction tuning datasets for subset selection. We propose to measure dataset diversity with log determinant distance that is the distance between the dataset of interest and a maximally diverse reference dataset. Our experiments demonstrate that the proposed diversity measure in the normalized weight gradient space is correlated with downstream instruction-following performance. Consequently, it can be used to inform when data selection is the most helpful and to analyze dataset curation strategies. We demonstrate the utility of our approach on various instruction tuning datasets.

Large Language Models (LLMs) have emerged as powerful tools capable of accomplishing a broad spectrum of tasks. Their abilities span numerous areas, and one area where they have made a significant impact is in the domain of code generation. In this context, we view LLMs as mutation and crossover tools. Meanwhile, Quality-Diversity (QD) algorithms are known to discover diverse and robust solutions. By merging the code-generating abilities of LLMs with the diversity and robustness of QD solutions, we introduce LLMatic, a Neural Architecture Search (NAS) algorithm. While LLMs struggle to conduct NAS directly through prompts, LLMatic uses a procedural approach, leveraging QD for prompts and network architecture to create diverse and highly performant networks. We test LLMatic on the CIFAR-10 image classification benchmark, demonstrating that it can produce competitive networks with just 2,000 searches, even without prior knowledge of the benchmark domain or exposure to any previous top-performing models for the benchmark.

This paper reports on the second "Throughput" phase of the Tracking Machine Learning (TrackML) challenge on the Codalab platform. As in the first "Accuracy" phase, the participants had to solve a difficult experimental problem linked to tracking accurately the trajectory of particles as e.g. created at the Large Hadron Collider (LHC): given O(10^5) points, the participants had to connect them into O(10^4) individual groups that represent the particle trajectories which are approximated helical. While in the first phase only the accuracy mattered, the goal of this second phase was a compromise between the accuracy and the speed of inference. Both were measured on the Codalab platform where the participants had to upload their software. The best three participants had solutions with good accuracy and speed an order of magnitude faster than the state of the art when the challenge was designed. Although the core algorithms were less diverse than in the first phase, a diversity of techniques have been used and are described in this paper. The performance of the algorithms are analysed in depth and lessons derived.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

In many text-generation problems, users may prefer not only a single response, but a diverse range of high-quality outputs from which to choose. Quality-diversity (QD) search algorithms aim at such outcomes, by continually improving and diversifying a population of candidates. However, the applicability of QD to qualitative domains, like creative writing, has been limited by the difficulty of algorithmically specifying measures of quality and diversity. Interestingly, recent developments in language models (LMs) have enabled guiding search through AI feedback, wherein LMs are prompted in natural language to evaluate qualitative aspects of text. Leveraging this development, we introduce Quality-Diversity through AI Feedback (QDAIF), wherein an evolutionary algorithm applies LMs to both generate variation and evaluate the quality and diversity of candidate text. When assessed on creative writing domains, QDAIF covers more of a specified search space with high-quality samples than do non-QD controls. Further, human evaluation of QDAIF-generated creative texts validates reasonable agreement between AI and human evaluation. Our results thus highlight the potential of AI feedback to guide open-ended search for creative and original solutions, providing a recipe that seemingly generalizes to many domains and modalities. In this way, QDAIF is a step towards AI systems that can independently search, diversify, evaluate, and improve, which are among the core skills underlying human society's capacity for innovation.

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems pose significant challenges in generating the required data for training state-of-the-art machine learning models. In this work, we introduce Cheetah, a PyTorch-based high-speed differentiable linear-beam dynamics code. Cheetah enables the fast collection of large data sets by reducing computation times by multiple orders of magnitude and facilitates efficient gradient-based optimisation for accelerator tuning and system identification. This positions Cheetah as a user-friendly, readily extensible tool that integrates seamlessly with widely adopted machine learning tools. We showcase the utility of Cheetah through five examples, including reinforcement learning training, gradient-based beamline tuning, gradient-based system identification, physics-informed Bayesian optimisation priors, and modular neural network surrogate modelling of space charge effects. The use of such a high-speed differentiable simulation code will simplify the development of machine learning-based methods for particle accelerators and fast-track their integration into everyday operations of accelerator facilities.

We study retrieving a set of documents that covers various perspectives on a complex and contentious question (e.g., will ChatGPT do more harm than good?). We curate a Benchmark for Retrieval Diversity for Subjective questions (BERDS), where each example consists of a question and diverse perspectives associated with the question, sourced from survey questions and debate websites. On this data, retrievers paired with a corpus are evaluated to surface a document set that contains diverse perspectives. Our framing diverges from most retrieval tasks in that document relevancy cannot be decided by simple string matches to references. Instead, we build a language model based automatic evaluator that decides whether each retrieved document contains a perspective. This allows us to evaluate the performance of three different types of corpus (Wikipedia, web snapshot, and corpus constructed on the fly with retrieved pages from the search engine) paired with retrievers. Retrieving diverse documents remains challenging, with the outputs from existing retrievers covering all perspectives on only 33.74% of the examples. We further study the impact of query expansion and diversity-focused reranking approaches and analyze retriever sycophancy. Together, we lay the foundation for future studies in retrieval diversity handling complex queries.

Enhancing the instruction-following ability of Large Language Models (LLMs) primarily demands substantial instruction-tuning datasets. However, the sheer volume of these imposes a considerable computational burden and annotation cost. To investigate a label-efficient instruction tuning method that allows the model itself to actively sample subsets that are equally or even more effective, we introduce a self-evolving mechanism DiverseEvol. In this process, a model iteratively augments its training subset to refine its own performance, without requiring any intervention from humans or more advanced LLMs. The key to our data sampling technique lies in the enhancement of diversity in the chosen subsets, as the model selects new data points most distinct from any existing ones according to its current embedding space. Extensive experiments across three datasets and benchmarks demonstrate the effectiveness of DiverseEvol. Our models, trained on less than 8% of the original dataset, maintain or improve performance compared with finetuning on full data. We also provide empirical evidence to analyze the importance of diversity in instruction data and the iterative scheme as opposed to one-time sampling. Our code is publicly available at https://github.com/OFA-Sys/DiverseEvol.git.

Despite remarkable progress achieved, most neural architecture search (NAS) methods focus on searching for one single accurate and robust architecture. To further build models with better generalization capability and performance, model ensemble is usually adopted and performs better than stand-alone models. Inspired by the merits of model ensemble, we propose to search for multiple diverse models simultaneously as an alternative way to find powerful models. Searching for ensembles is non-trivial and has two key challenges: enlarged search space and potentially more complexity for the searched model. In this paper, we propose a one-shot neural ensemble architecture search (NEAS) solution that addresses the two challenges. For the first challenge, we introduce a novel diversity-based metric to guide search space shrinking, considering both the potentiality and diversity of candidate operators. For the second challenge, we enable a new search dimension to learn layer sharing among different models for efficiency purposes. The experiments on ImageNet clearly demonstrate that our solution can improve the supernet's capacity of ranking ensemble architectures, and further lead to better search results. The discovered architectures achieve superior performance compared with state-of-the-arts such as MobileNetV3 and EfficientNet families under aligned settings. Moreover, we evaluate the generalization ability and robustness of our searched architecture on the COCO detection benchmark and achieve a 3.1% improvement on AP compared with MobileNetV3. Codes and models are available at https://github.com/researchmm/NEAS.

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.

Candidate generation is the first stage in recommendation systems, where a light-weight system is used to retrieve potentially relevant items for an input user. These candidate items are then ranked and pruned in later stages of recommender systems using a more complex ranking model. Since candidate generation is the top of the recommendation funnel, it is important to retrieve a high-recall candidate set to feed into downstream ranking models. A common approach for candidate generation is to leverage approximate nearest neighbor (ANN) search from a single dense query embedding; however, this approach this can yield a low-diversity result set with many near duplicates. As users often have multiple interests, candidate retrieval should ideally return a diverse set of candidates reflective of the user's multiple interests. To this end, we introduce kNN-Embed, a general approach to improving diversity in dense ANN-based retrieval. kNN-Embed represents each user as a smoothed mixture over learned item clusters that represent distinct `interests' of the user. By querying each of a user's mixture component in proportion to their mixture weights, we retrieve a high-diversity set of candidates reflecting elements from each of a user's interests. We experimentally compare kNN-Embed to standard ANN candidate retrieval, and show significant improvements in overall recall and improved diversity across three datasets. Accompanying this work, we open source a large Twitter follow-graph dataset, to spur further research in graph-mining and representation learning for recommender systems.

Data diversity is crucial for the instruction tuning of large language models. Existing studies have explored various diversity-aware data selection methods to construct high-quality datasets and enhance model performance. However, the fundamental problem of precisely defining and measuring data diversity remains underexplored, limiting clear guidance for data engineering. To address this, we systematically analyze 11 existing diversity measurement methods by evaluating their correlation with model performance through extensive fine-tuning experiments. Our results indicate that a reliable diversity measure should properly account for both inter-sample differences and the information distribution in the sample space. Building on this, we propose NovelSum, a new diversity metric based on sample-level "novelty." Experiments on both simulated and real-world data show that NovelSum accurately captures diversity variations and achieves a 0.97 correlation with instruction-tuned model performance, highlighting its value in guiding data engineering practices. With NovelSum as an optimization objective, we further develop a greedy, diversity-oriented data selection strategy that outperforms existing approaches, validating both the effectiveness and practical significance of our metric.

The search for heavy resonances beyond the Standard Model (BSM) is a key objective at the LHC. While the recent use of advanced deep neural networks for boosted-jet tagging significantly enhances the sensitivity of dedicated searches, it is limited to specific final states, leaving vast potential BSM phase space underexplored. We introduce a novel experimental method, Signature-Oriented Pre-training for Heavy-resonance ObservatioN (Sophon), which leverages deep learning to cover an extensive number of boosted final states. Pre-trained on the comprehensive JetClass-II dataset, the Sophon model learns intricate jet signatures, ensuring the optimal constructions of various jet tagging discriminates and enabling high-performance transfer learning capabilities. We show that the method can not only push widespread model-specific searches to their sensitivity frontier, but also greatly improve model-agnostic approaches, accelerating LHC resonance searches in a broad sense.

Much recent research on information retrieval has focused on how to transfer from one task (typically with abundant supervised data) to various other tasks where supervision is limited, with the implicit assumption that it is possible to generalize from one task to all the rest. However, this overlooks the fact that there are many diverse and unique retrieval tasks, each targeting different search intents, queries, and search domains. In this paper, we suggest to work on Few-shot Dense Retrieval, a setting where each task comes with a short description and a few examples. To amplify the power of a few examples, we propose Prompt-base Query Generation for Retriever (Promptagator), which leverages large language models (LLM) as a few-shot query generator, and creates task-specific retrievers based on the generated data. Powered by LLM's generalization ability, Promptagator makes it possible to create task-specific end-to-end retrievers solely based on a few examples {without} using Natural Questions or MS MARCO to train %question generators or dual encoders. Surprisingly, LLM prompting with no more than 8 examples allows dual encoders to outperform heavily engineered models trained on MS MARCO like ColBERT v2 by more than 1.2 nDCG on average on 11 retrieval sets. Further training standard-size re-rankers using the same generated data yields another 5.0 point nDCG improvement. Our studies determine that query generation can be far more effective than previously observed, especially when a small amount of task-specific knowledge is given.

Motivation: The development of novel compounds targeting proteins of interest is one of the most important tasks in the pharmaceutical industry. Deep generative models have been applied to targeted molecular design and have shown promising results. Recently, target-specific molecule generation has been viewed as a translation between the protein language and the chemical language. However, such a model is limited by the availability of interacting protein-ligand pairs. On the other hand, large amounts of unlabeled protein sequences and chemical compounds are available and have been used to train language models that learn useful representations. In this study, we propose exploiting pretrained biochemical language models to initialize (i.e. warm start) targeted molecule generation models. We investigate two warm start strategies: (i) a one-stage strategy where the initialized model is trained on targeted molecule generation (ii) a two-stage strategy containing a pre-finetuning on molecular generation followed by target specific training. We also compare two decoding strategies to generate compounds: beam search and sampling. Results: The results show that the warm-started models perform better than a baseline model trained from scratch. The two proposed warm-start strategies achieve similar results to each other with respect to widely used metrics from benchmarks. However, docking evaluation of the generated compounds for a number of novel proteins suggests that the one-stage strategy generalizes better than the two-stage strategy. Additionally, we observe that beam search outperforms sampling in both docking evaluation and benchmark metrics for assessing compound quality. Availability and implementation: The source code is available at https://github.com/boun-tabi/biochemical-lms-for-drug-design and the materials are archived in Zenodo at https://doi.org/10.5281/zenodo.6832145

We propose Beam Tree Recursive Cell (BT-Cell) - a backpropagation-friendly framework to extend Recursive Neural Networks (RvNNs) with beam search for latent structure induction. We further extend this framework by proposing a relaxation of the hard top-k operators in beam search for better propagation of gradient signals. We evaluate our proposed models in different out-of-distribution splits in both synthetic and realistic data. Our experiments show that BTCell achieves near-perfect performance on several challenging structure-sensitive synthetic tasks like ListOps and logical inference while maintaining comparable performance in realistic data against other RvNN-based models. Additionally, we identify a previously unknown failure case for neural models in generalization to unseen number of arguments in ListOps. The code is available at: https://github.com/JRC1995/BeamTreeRecursiveCells.

Instruction tuning has emerged as a key step in aligning large language models. One of the central challenges of instruction tuning is dataset selection, as the composition of the instruction tuning dataset can significantly impact downstream performance. In particular, researchers have hypothesized that dataset diversity and dataset quality are important indicators of downstream performance. However, it is not clear how to automatically select high quality and diverse data or how exactly quality and diversity affect instruction following ability. To resolve these issues, we propose a new algorithm, Quality-Diversity Instruction Tuning (QDIT). QDIT provides a principled algorithm to control dataset diversity and quality, allowing us to conduct an in depth study on the effect of diversity and quality on instruction tuning performance. From this study we draw two key insights (1) there is a natural tradeoff between dataset diversity and quality and (2) increasing dataset diversity significantly improves the worst case instruction following performance, therefore improving robustness. We validate the performance of QDIT on several large scale instruction tuning datasets, where we find it can improve worst case performance by 18% while maintaining or improving average performance compared to quality driven baselines.

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

Conversational passage retrieval is challenging as it often requires the resolution of references to previous utterances and needs to deal with the complexities of natural language, such as coreference and ellipsis. To address these challenges, pre-trained sequence-to-sequence neural query rewriters are commonly used to generate a single de-contextualized query based on conversation history. Previous research shows that combining multiple query rewrites for the same user utterance has a positive effect on retrieval performance. We propose the use of a neural query rewriter to generate multiple queries and show how to integrate those queries in the passage retrieval pipeline efficiently. The main strength of our approach lies in its simplicity: it leverages how the beam search algorithm works and can produce multiple query rewrites at no additional cost. Our contributions further include devising ways to utilize multi-query rewrites in both sparse and dense first-pass retrieval. We demonstrate that applying our approach on top of a standard passage retrieval pipeline delivers state-of-the-art performance without sacrificing efficiency.

Query reformulation is a well-known problem in Information Retrieval (IR) aimed at enhancing single search successful completion rate by automatically modifying user's input query. Recent methods leverage Large Language Models (LLMs) to improve query reformulation, but often generate limited and redundant expansions, potentially constraining their effectiveness in capturing diverse intents. In this paper, we propose GenCRF: a Generative Clustering and Reformulation Framework to capture diverse intentions adaptively based on multiple differentiated, well-generated queries in the retrieval phase for the first time. GenCRF leverages LLMs to generate variable queries from the initial query using customized prompts, then clusters them into groups to distinctly represent diverse intents. Furthermore, the framework explores to combine diverse intents query with innovative weighted aggregation strategies to optimize retrieval performance and crucially integrates a novel Query Evaluation Rewarding Model (QERM) to refine the process through feedback loops. Empirical experiments on the BEIR benchmark demonstrate that GenCRF achieves state-of-the-art performance, surpassing previous query reformulation SOTAs by up to 12% on nDCG@10. These techniques can be adapted to various LLMs, significantly boosting retriever performance and advancing the field of Information Retrieval.

As creative writing tasks do not have singular correct answers, large language models (LLMs) trained to perform these tasks should be able to generate diverse valid outputs. However, LLM post-training often focuses on improving generation quality but neglects to facilitate output diversity. Hence, in creative writing generation, we investigate post-training approaches to promote both output diversity and quality. Our core idea is to include deviation -- the degree of difference between a training sample and all other samples with the same prompt -- in the training objective to facilitate learning from rare high-quality instances. By adopting our approach to direct preference optimization (DPO) and odds ratio preference optimization (ORPO), we demonstrate that we can promote the output diversity of trained models while minimally decreasing quality. Our best model with 8B parameters could achieve on-par diversity as a human-created dataset while having output quality similar to the best instruction-tuned models we examined, GPT-4o and DeepSeek-R1. We further validate our approaches with a human evaluation, an ablation, and a comparison to an existing diversification approach, DivPO.

Recent advancements in large language models (LLMs) have sparked considerable interest in automated theorem proving and a prominent line of research integrates stepwise LLM-based provers into tree search. In this paper, we introduce a novel proof-state exploration approach for training data synthesis, designed to produce diverse tactics across a wide range of intermediate proof states, thereby facilitating effective one-shot fine-tuning of LLM as the policy model. We also propose an adaptive beam size strategy, which effectively takes advantage of our data synthesis method and achieves a trade-off between exploration and exploitation during tree search. Evaluations on the MiniF2F and ProofNet benchmarks demonstrate that our method outperforms strong baselines under the stringent Pass@1 metric, attaining an average pass rate of 60.74% on MiniF2F and 21.18% on ProofNet. These results underscore the impact of large-scale synthetic data in advancing automated theorem proving.

In this work, we focus on the problem of retrieving relevant arguments for a query claim covering diverse aspects. State-of-the-art methods rely on explicit mappings between claims and premises, and thus are unable to utilize large available collections of premises without laborious and costly manual annotation. Their diversity approach relies on removing duplicates via clustering which does not directly ensure that the selected premises cover all aspects. This work introduces a new multi-step approach for the argument retrieval problem. Rather than relying on ground-truth assignments, our approach employs a machine learning model to capture semantic relationships between arguments. Beyond that, it aims to cover diverse facets of the query, instead of trying to identify duplicates explicitly. Our empirical evaluation demonstrates that our approach leads to a significant improvement in the argument retrieval task even though it requires less data.

Large language models (LLMs) are documented to struggle in settings that require complex reasoning. Nevertheless, instructing the model to break down the problem into smaller reasoning steps (Wei et al., 2022), or ensembling various generations through modifying decoding steps (Wang et al., 2023) boosts performance. Current methods assume that the input prompt is fixed and expect the decoding strategies to introduce the diversity needed for ensembling. In this work, we relax this assumption and discuss how one can create and leverage variations of the input prompt as a means to diversity of thought to improve model performance. We propose a method that automatically improves prompt diversity by soliciting feedback from the LLM to ideate approaches that fit for the problem. We then ensemble the diverse prompts in our method DIV-SE (DIVerse reasoning path Self-Ensemble) across multiple inference calls. We also propose a cost-effective alternative where diverse prompts are used within a single inference call; we call this IDIV-SE (In-call DIVerse reasoning path Self-Ensemble). Under a fixed generation budget, DIV-SE and IDIV-SE outperform the previously discussed baselines using both GPT-3.5 and GPT-4 on several reasoning benchmarks, without modifying the decoding process. Additionally, DIV-SE advances state-of-the-art performance on recent planning benchmarks (Valmeekam et al., 2023), exceeding the highest previously reported accuracy by at least 29.6 percentage points on the most challenging 4/5 Blocksworld task. Our results shed light on how to enforce prompt diversity toward LLM reasoning and thereby improve the pareto frontier of the accuracy-cost trade-off.

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present opportunities to enhance generative design to directly optimize expensive high-fidelity oracles and provide actionable insights to domain experts. Here, we propose Beam Enumeration to exhaustively enumerate the most probable sub-sequences from language-based molecular generative models and show that molecular substructures can be extracted. When coupled with reinforcement learning, extracted substructures become meaningful, providing a source of explainability and improving sample efficiency through self-conditioned generation. Beam Enumeration is generally applicable to any language-based molecular generative model and notably further improves the performance of the recently reported Augmented Memory algorithm, which achieved the new state-of-the-art on the Practical Molecular Optimization benchmark for sample efficiency. The combined algorithm generates more high reward molecules and faster, given a fixed oracle budget. Beam Enumeration shows that improvements to explainability and sample efficiency for molecular design can be made synergistic.

Predicting multiple heterogeneous biological and medical targets is a challenge for traditional deep learning models. In contrast to single-task learning, in which a separate model is trained for each target, multi-task learning (MTL) optimizes a single model to predict multiple related targets simultaneously. To address this challenge, we propose the Multi-gate Mixture-of-Experts with Exclusivity (MMoEEx). Our work aims to tackle the heterogeneous MTL setting, in which the same model optimizes multiple tasks with different characteristics. Such a scenario can overwhelm current MTL approaches due to the challenges in balancing shared and task-specific representations and the need to optimize tasks with competing optimization paths. Our method makes two key contributions: first, we introduce an approach to induce more diversity among experts, thus creating representations more suitable for highly imbalanced and heterogenous MTL learning; second, we adopt a two-step optimization [6, 11] approach to balancing the tasks at the gradient level. We validate our method on three MTL benchmark datasets, including Medical Information Mart for Intensive Care (MIMIC-III) and PubChem BioAssay (PCBA).

Foundation language models obtain the instruction-following ability through supervised fine-tuning (SFT). Diversity and complexity are considered critical factors of a successful SFT dataset, while their definitions remain obscure and lack quantitative analyses. In this work, we propose InsTag, an open-set fine-grained tagger, to tag samples within SFT datasets based on semantics and intentions and define instruction diversity and complexity regarding tags. We obtain 6.6K tags to describe comprehensive user queries. Then we analyze popular open-sourced SFT datasets and find that the model ability grows with more diverse and complex data. Based on this observation, we propose a data selector based on InsTag to select 6K diverse and complex samples from open-source datasets and fine-tune models on InsTag-selected data. The resulting models, TagLM, outperform open-source models based on considerably larger SFT data evaluated by MT-Bench, echoing the importance of query diversity and complexity. We open-source InsTag in https://github.com/OFA-Sys/InsTag.

Recently, sequential recommendation has been adapted to the LLM paradigm to enjoy the power of LLMs. LLM-based methods usually formulate recommendation information into natural language and the model is trained to predict the next item in an auto-regressive manner. Despite their notable success, the substantial computational overhead of inference poses a significant obstacle to their real-world applicability. In this work, we endeavor to streamline existing LLM-based recommendation models and propose a simple yet highly effective model Lite-LLM4Rec. The primary goal of Lite-LLM4Rec is to achieve efficient inference for the sequential recommendation task. Lite-LLM4Rec circumvents the beam search decoding by using a straight item projection head for ranking scores generation. This design stems from our empirical observation that beam search decoding is ultimately unnecessary for sequential recommendations. Additionally, Lite-LLM4Rec introduces a hierarchical LLM structure tailored to efficiently handle the extensive contextual information associated with items, thereby reducing computational overhead while enjoying the capabilities of LLMs. Experiments on three publicly available datasets corroborate the effectiveness of Lite-LLM4Rec in both performance and inference efficiency (notably 46.8% performance improvement and 97.28% efficiency improvement on ML-1m) over existing LLM-based methods. Our implementations will be open sourced.

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

The primary goal in recommendation is to suggest relevant content to users, but optimizing for accuracy often results in recommendations that lack diversity. To remedy this, conventional approaches such as re-ranking improve diversity by presenting more diverse items. Here we argue that to promote inherent and prolonged diversity, the system must encourage its creation. Towards this, we harness the performative nature of recommendation, and show how learning can incentivize strategic content creators to create diverse content. Our approach relies on a novel form of regularization that anticipates strategic changes to content, and penalizes for content homogeneity. We provide analytic and empirical results that demonstrate when and how diversity can be incentivized, and experimentally demonstrate the utility of our approach on synthetic and semi-synthetic data.

Recent advancements in large language models (LLMs) have driven interest in billion-scale retrieval models with strong generalization across retrieval tasks and languages. Additionally, progress in large vision-language models has created new opportunities for multimodal retrieval. In response, we have updated the Tevatron toolkit, introducing a unified pipeline that enables researchers to explore retriever models at different scales, across multiple languages, and with various modalities. This demo paper highlights the toolkit's key features, bridging academia and industry by supporting efficient training, inference, and evaluation of neural retrievers. We showcase a unified dense retriever achieving strong multilingual and multimodal effectiveness, and conduct a cross-modality zero-shot study to demonstrate its research potential. Alongside, we release OmniEmbed, to the best of our knowledge, the first embedding model that unifies text, image document, video, and audio retrieval, serving as a baseline for future research.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

Image Retrieval aims to retrieve corresponding images based on a given query. In application scenarios, users intend to express their retrieval intent through various query styles. However, current retrieval tasks predominantly focus on text-query retrieval exploration, leading to limited retrieval query options and potential ambiguity or bias in user intention. In this paper, we propose the Style-Diversified Query-Based Image Retrieval task, which enables retrieval based on various query styles. To facilitate the novel setting, we propose the first Diverse-Style Retrieval dataset, encompassing diverse query styles including text, sketch, low-resolution, and art. We also propose a light-weighted style-diversified retrieval framework. For various query style inputs, we apply the Gram Matrix to extract the query's textural features and cluster them into a style space with style-specific bases. Then we employ the style-init prompt tuning module to enable the visual encoder to comprehend the texture and style information of the query. Experiments demonstrate that our model, employing the style-init prompt tuning strategy, outperforms existing retrieval models on the style-diversified retrieval task. Moreover, style-diversified queries~(sketch+text, art+text, etc) can be simultaneously retrieved in our model. The auxiliary information from other queries enhances the retrieval performance within the respective query.

LLM test-time compute (or LLM inference) via search has emerged as a promising research area with rapid developments. However, current frameworks often adopt distinct perspectives on three key aspects (task definition, LLM profiling, and search procedures), making direct comparisons challenging. Moreover, the search algorithms employed often diverge from standard implementations, and their specific characteristics are not thoroughly specified. In this survey, we provide a comprehensive technical review that unifies task definitions and provides modular definitions of LLM profiling and search procedures. The definitions enable precise comparisons of various LLM inference frameworks while highlighting their departures from conventional search algorithms. We also discuss the applicability, performance, and efficiency of these methods. For further details and ongoing updates, please refer to our GitHub repository: https://github.com/xinzhel/LLM-Agent-Survey/blob/main/search.md

Recent advances in Neural Architecture Search (NAS) such as one-shot NAS offer the ability to extract specialized hardware-aware sub-network configurations from a task-specific super-network. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still under-explored. Popular methods decouple the super-network training from the sub-network search and use performance predictors to reduce the computational burden of searching on different hardware platforms. We propose a flexible search framework that automatically and efficiently finds optimal sub-networks that are optimized for different performance metrics and hardware configurations. Specifically, we show how evolutionary algorithms can be paired with lightly trained objective predictors in an iterative cycle to accelerate architecture search in a multi-objective setting for various modalities including machine translation and image classification.

Despite the effectiveness of vision-language supervised fine-tuning in enhancing the performance of Vision Large Language Models (VLLMs). However, existing visual instruction tuning datasets include the following limitations: (1) Instruction annotation quality: despite existing VLLMs exhibiting strong performance, instructions generated by those advanced VLLMs may still suffer from inaccuracies, such as hallucinations. (2) Instructions and image diversity: the limited range of instruction types and the lack of diversity in image data may impact the model's ability to generate diversified and closer to real-world scenarios outputs. To address these challenges, we construct a high-quality, diverse visual instruction tuning dataset MMInstruct, which consists of 973K instructions from 24 domains. There are four instruction types: Judgement, Multiple-Choice, Long Visual Question Answering and Short Visual Question Answering. To construct MMInstruct, we propose an instruction generation data engine that leverages GPT-4V, GPT-3.5, and manual correction. Our instruction generation engine enables semi-automatic, low-cost, and multi-domain instruction generation at 1/6 the cost of manual construction. Through extensive experiment validation and ablation experiments, we demonstrate that MMInstruct could significantly improve the performance of VLLMs, e.g., the model fine-tuning on MMInstruct achieves new state-of-the-art performance on 10 out of 12 benchmarks. The code and data shall be available at https://github.com/yuecao0119/MMInstruct.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

Test-time scaling (TTS) has proven effective in enhancing the reasoning capabilities of large language models (LLMs). Verification plays a key role in TTS, simultaneously influencing (1) reasoning performance and (2) compute efficiency, due to the quality and computational cost of verification. In this work, we challenge the conventional paradigms of verification, and make the first attempt toward systematically investigating the impact of verification granularity-that is, how frequently the verifier is invoked during generation, beyond verifying only the final output or individual generation steps. To this end, we introduce Variable Granularity Search (VG-Search), a unified algorithm that generalizes beam search and Best-of-N sampling via a tunable granularity parameter g. Extensive experiments with VG-Search under varying compute budgets, generator-verifier configurations, and task attributes reveal that dynamically selecting g can improve the compute efficiency and scaling behavior. Building on these findings, we propose adaptive VG-Search strategies that achieve accuracy gains of up to 3.1\% over Beam Search and 3.6\% over Best-of-N, while reducing FLOPs by over 52\%. We will open-source the code to support future research.

Recommender systems must balance personalization, diversity, and robustness to cold-start scenarios to remain effective in dynamic content environments. This paper introduces an adaptive, exploration-based recommendation framework that adjusts to evolving user preferences and content distributions to promote diversity and novelty without compromising relevance. The system represents items using sentence-transformer embeddings and organizes them into semantically coherent clusters through an online algorithm with adaptive thresholding. A user-controlled exploration mechanism enhances diversity by selectively sampling from under-explored clusters. Experiments on the MovieLens dataset show that enabling exploration reduces intra-list similarity from 0.34 to 0.26 and increases unexpectedness to 0.73, outperforming collaborative filtering and popularity-based baselines. A/B testing with 300 simulated users reveals a strong link between interaction history and preference for diversity, with 72.7% of long-term users favoring exploratory recommendations. Computational analysis confirms that clustering and recommendation processes scale linearly with the number of clusters. These results demonstrate that adaptive exploration effectively mitigates over-specialization while preserving personalization and efficiency.

Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

Post-training of language models, either through reinforcement learning, preference optimization or supervised finetuning, tends to sharpen the output probability distribution and reduce the diversity of generated responses. This is particularly a problem for creative generative tasks where varied responses are desired. In this work we introduce Diverse Preference Optimization (DivPO), an optimization method which learns to generate much more diverse responses than standard pipelines, while maintaining the quality of the generations. In DivPO, preference pairs are selected by first considering a pool of responses, and a measure of diversity among them, and selecting chosen examples as being more rare but high quality, while rejected examples are more common, but low quality. DivPO results in generating 45.6% more diverse persona attributes, and an 74.6% increase in story diversity, while maintaining similar win rates as standard baselines.

Retrieval-augmented generation (RAG) systems have advanced large language models (LLMs) in complex deep search scenarios requiring multi-step reasoning and iterative information retrieval. However, existing approaches face critical limitations that lack high-quality training trajectories or suffer from the distributional mismatches in simulated environments and prohibitive computational costs for real-world deployment. This paper introduces SimpleDeepSearcher, a lightweight yet effective framework that bridges this gap through strategic data engineering rather than complex training paradigms. Our approach synthesizes high-quality training data by simulating realistic user interactions in live web search environments, coupled with a multi-criteria curation strategy that optimizes the diversity and quality of input and output side. Experiments on five benchmarks across diverse domains demonstrate that SFT on only 871 curated samples yields significant improvements over RL-based baselines. Our work establishes SFT as a viable pathway by systematically addressing the data-scarce bottleneck, offering practical insights for efficient deep search systems. Our code is available at https://github.com/RUCAIBox/SimpleDeepSearcher.

Current trends to pre-train capable Large Language Models (LLMs) mostly focus on scaling of model and dataset size. However, the quality of pre-training data is an important factor for training powerful LLMs, yet it is a nebulous concept that has not been fully characterized. Therefore, we use the recently proposed Task2Vec diversity coefficient to ground and understand formal aspects of data quality, to go beyond scale alone. Specifically, we measure the diversity coefficient of publicly available pre-training datasets to demonstrate that their formal diversity is high when compared to theoretical lower and upper bounds. In addition, to build confidence in the diversity coefficient, we conduct interpretability experiments and find that the coefficient aligns with intuitive properties of diversity, e.g., it increases as the number of latent concepts increases. We conclude the diversity coefficient is reliable, show it's high for publicly available LLM datasets, and conjecture it can be used to build useful diverse datasets for LLMs.

A growing body of research has demonstrated the inability of NLP models to generalize compositionally and has tried to alleviate it through specialized architectures, training schemes, and data augmentation, among other approaches. In this work, we study a different approach: training on instances with diverse structures. We propose a model-agnostic algorithm for subsampling such sets of instances from a labeled instance pool with structured outputs. Evaluating on both compositional template splits and traditional IID splits of 5 semantic parsing datasets of varying complexity, we show that structurally diverse training using our algorithm leads to comparable or better generalization than prior algorithms in 9 out of 10 dataset-split type pairs. In general, we find structural diversity to consistently improve sample efficiency compared to random train sets. Moreover, we show that structurally diverse sampling yields comprehensive test sets that are a lot more challenging than IID test sets. Finally, we provide two explanations for improved generalization from diverse train sets: 1) improved coverage of output substructures, and 2) a reduction in spurious correlations between these substructures.

This project aims to investigate a novel sequence generation method inspired by the AlphaGo paradigm, adapting it for use with large language models (LLMs). The proposed approach involves creating search trees of different possible completions and evaluating these completions based on model confidence. By considering various paths in the search tree and scoring them according to the model's confidence in each completion, we can generate diverse and high-quality sequences. This research explores the implementation of this paradigm by using confidence as a proxy for response quality akin to beam search vijayakumar2016diverse. The primary goal of this paper is to outline the paradigm and demonstrate its potential, rather than focusing on achieving perfect results. The paper will outline the reasons why we believe this paradigm has the potential to improve LLMs in the following manners: 1) increase output quality, 2) decrease errors, 3) eliminate or reduce the compound error problems, 4) generate diverse and creative completions, 5) allow for iterative problem-solving, and 6) self-training. We expect this approach to yield a set of diverse and coherent sequences, offering insights into balancing exploration and exploitation in sequence generation. Potential applications include creative text generation tasks, such as storytelling and content creation, as well as other natural language processing domains, like machine translation and automated summarization. The goal is that the model will be far more effective as it will be able to consider many possible variations allowing it to find the ideal completion. This research aims to contribute to the understanding of effective search strategies in sequence generation and their impact on generating high-quality, varied textual outputs.

Current pre-trained large language models typically need instruction tuning to align with human preferences. However, instruction tuning data is often quantity-saturated due to the large volume of data collection and fast model iteration, leaving coreset data selection important but underexplored. On the other hand, existing quality-driven data selection methods such as LIMA (NeurIPS 2023 (Zhou et al., 2024)) and AlpaGasus (ICLR 2024 (Chen et al.)) generally ignore the equal importance of data diversity and complexity. In this work, we aim to design a diversity-aware data selection strategy and creatively propose using sparse autoencoders to tackle the challenge of data diversity measure. In addition, sparse autoencoders can also provide more interpretability of model behavior and explain, e.g., the surprising effectiveness of selecting the longest response (ICML 2024 (Zhao et al.)). Using effective data selection, we experimentally prove that models trained on our selected data can outperform other methods in terms of model capabilities, reduce training cost, and potentially gain more control over model behaviors.

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.

Finding the optimal Retrieval-Augmented Generation (RAG) configuration for a given use case can be complex and expensive. Motivated by this challenge, frameworks for RAG hyper-parameter optimization (HPO) have recently emerged, yet their effectiveness has not been rigorously benchmarked. To address this gap, we present a comprehensive study involving 5 HPO algorithms over 5 datasets from diverse domains, including a new one collected for this work on real-world product documentation. Our study explores the largest HPO search space considered to date, with two optimized evaluation metrics. Analysis of the results shows that RAG HPO can be done efficiently, either greedily or with iterative random search, and that it significantly boosts RAG performance for all datasets. For greedy HPO approaches, we show that optimizing models first is preferable to the prevalent practice of optimizing sequentially according to the RAG pipeline order.

Current large-language models (LLMs) typically adopt a fixed reasoning strategy, either simple or complex, for all questions, regardless of their difficulty. This neglect of variation in task and reasoning process complexity leads to an imbalance between performance and efficiency. Existing methods attempt to implement training-free fast-slow thinking system switching to handle problems of varying difficulty, but are limited by coarse-grained solution-level strategy adjustments. To address this issue, we propose a novel reasoning paradigm: Process-Level Adaptive Thinking Mode Switching (PATS), which enables LLMs to dynamically adjust their reasoning strategy based on the difficulty of each step, optimizing the balance between accuracy and computational efficiency. Our approach integrates Process Reward Models (PRMs) with Beam Search, incorporating progressive mode switching and bad-step penalty mechanisms. Experiments on diverse mathematical benchmarks demonstrate that our methodology achieves high accuracy while maintaining moderate token usage. This study emphasizes the significance of process-level, difficulty-aware reasoning strategy adaptation, offering valuable insights into efficient inference for LLMs.

Effective generalization in language models depends critically on the diversity of their training data. Yet existing diversity metrics often fall short of this goal, relying on surface-level heuristics that are decoupled from model behavior. This motivates us to ask: What kind of diversity in training data actually drives generalization in language models -- and how can we measure and amplify it? Through large-scale empirical analyses spanning over 300 training runs, carefully controlled for data scale and quality, we show that data diversity can be a strong predictor of generalization in LLM reasoning -- as measured by average model performance on unseen out-of-distribution benchmarks. We introduce G-Vendi, a metric that quantifies diversity via the entropy of model-induced gradients. Despite using a small off-the-shelf proxy model for gradients, G-Vendi consistently outperforms alternative measures, achieving strong correlation (Spearman's rho approx 0.9) with out-of-distribution (OOD) performance on both natural language inference (NLI) and math reasoning tasks. Building on this insight, we present Prismatic Synthesis, a framework for generating diverse synthetic data by targeting underrepresented regions in gradient space. Experimental results show that Prismatic Synthesis consistently improves model performance as we scale synthetic data -- not just on in-distribution test but across unseen, out-of-distribution benchmarks -- significantly outperforming state-of-the-art models that rely on 20 times larger data generator than ours. For example, PrismMath-7B, our model distilled from a 32B LLM, outperforms R1-Distill-Qwen-7B -- the same base model trained on proprietary data generated by 671B R1 -- on 6 out of 7 challenging benchmarks.

Retrieval-Augmented Generation (RAG) has emerged as a key paradigm for enhancing large language models (LLMs) by incorporating external knowledge. However, current RAG methods face two limitations: (1) they only cover limited RAG scenarios. (2) They suffer from limited task diversity due to the lack of a general RAG dataset. To address these limitations, we propose RAG-Instruct, a general method for synthesizing diverse and high-quality RAG instruction data based on any source corpus. Our approach leverages (1) five RAG paradigms, which encompass diverse query-document relationships, and (2) instruction simulation, which enhances instruction diversity and quality by utilizing the strengths of existing instruction datasets. Using this method, we construct a 40K instruction dataset from Wikipedia, comprehensively covering diverse RAG scenarios and tasks. Experiments demonstrate that RAG-Instruct effectively enhances LLMs' RAG capabilities, achieving strong zero-shot performance and significantly outperforming various RAG baselines across a diverse set of tasks. RAG-Instruct is publicly available at https://github.com/FreedomIntelligence/RAG-Instruct.

Scientific literature understanding tasks have gained significant attention due to their potential to accelerate scientific discovery. Pre-trained language models (LMs) have shown effectiveness in these tasks, especially when tuned via contrastive learning. However, jointly utilizing pre-training data across multiple heterogeneous tasks (e.g., extreme classification, citation prediction, and literature search) remains largely unexplored. To bridge this gap, we propose a multi-task contrastive learning framework, SciMult, with a focus on facilitating common knowledge sharing across different scientific literature understanding tasks while preventing task-specific skills from interfering with each other. To be specific, we explore two techniques -- task-aware specialization and instruction tuning. The former adopts a Mixture-of-Experts Transformer architecture with task-aware sub-layers; the latter prepends task-specific instructions to the input text so as to produce task-aware outputs. Extensive experiments on a comprehensive collection of benchmark datasets verify the effectiveness of our task-aware specialization strategy in various tasks, where we outperform state-of-the-art scientific LMs.

The exact location of the gamma-ray emitting region in blazar jets has long been a matter of debate. However, the location has important implications about the emission processes, geometric and physical parameters of the jet, as well as the nature of interaction of the jet with the interstellar and intergalactic medium. Diverse conclusions have been drawn by various authors based on a variety of methods applied to different data sets of many blazars, e.g., the location is less than 0.1 pc from the central engine within the broad line region (BLR) or a few or tens of pc downstream beyond the dusty torus or at some intermediate distance. Here we use a method, established in a previous work, in which the location of the GeV/optical emission is determined using the ratio of energy dissipated during contemporaneous outbursts at those wave bands. We apply it to a total of 47 multi-wavelength outbursts in 10 blazars. We find that the location of the GeV/optical emission is beyond the BLR for all cases. This result is consistent with other studies, in which the location has been determined for a large sample of blazars. We compare the location determined by our method for several GeV outbursts of multiple blazars to that obtained by other authors using different methods. We find that our results are consistent in such one-to-one comparison in most cases, for which the required data were available.

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.

Scientific documents record research findings and valuable human knowledge, comprising a vast corpus of high-quality data. Leveraging multi-modality data extracted from these documents and assessing large models' abilities to handle scientific document-oriented tasks is therefore meaningful. Despite promising advancements, large models still perform poorly on multi-page scientific document extraction and understanding tasks, and their capacity to process within-document data formats such as charts and equations remains under-explored. To address these issues, we present DocGenome, a structured document benchmark constructed by annotating 500K scientific documents from 153 disciplines in the arXiv open-access community, using our custom auto-labeling pipeline. DocGenome features four key characteristics: 1) Completeness: It is the first dataset to structure data from all modalities including 13 layout attributes along with their LaTeX source codes. 2) Logicality: It provides 6 logical relationships between different entities within each scientific document. 3) Diversity: It covers various document-oriented tasks, including document classification, visual grounding, document layout detection, document transformation, open-ended single-page QA and multi-page QA. 4) Correctness: It undergoes rigorous quality control checks conducted by a specialized team. We conduct extensive experiments to demonstrate the advantages of DocGenome and objectively evaluate the performance of large models on our benchmark.

Distilling advanced Large Language Models' instruction-following capabilities into smaller models using a selected subset has become a mainstream approach in model training. While existing synthetic instruction data selection strategies rely mainly on single-dimensional signals (i.e., reward scores, model perplexity), they fail to capture the complexity of instruction-following across diverse fields. Therefore, we investigate more diverse signals to capture comprehensive instruction-response pair characteristics and propose three foundational metrics that leverage Multi-LLM wisdom, informed by (1) diverse LLM responses and (2) reward model assessment. Building upon base metrics, we propose CrowdSelect, an integrated metric incorporating a clustering-based approach to maintain response diversity. Our comprehensive experiments demonstrate that our foundation metrics consistently improve performance across 4 base models on MT-bench and Arena-Hard. CrowdSelect, efficiently incorporating all metrics, achieves state-of-the-art performance in both Full and LoRA fine-tuning, showing improvements of 4.81% on Arena-Hard and 11.1% on MT-bench with Llama-3.2-3b-instruct. We hope our findings will bring valuable insights for future research in this direction. Code are available at https://github.com/listentm/crowdselect.

Understanding and accurately following instructions is critical for large language models (LLMs) to be effective across diverse tasks. In this work, we rigorously examine the key factors that enable models to generalize to unseen instructions, providing insights to guide the collection of data for instruction-tuning. Through controlled experiments, inspired by the Turing-complete Markov algorithm, we demonstrate that such generalization only emerges when training data is diversified enough across semantic domains. Our findings also reveal that merely diversifying within limited domains fails to ensure robust generalization. In contrast, cross-domain data diversification, even under constrained data budgets, significantly enhances a model's adaptability. We further extend our analysis to real-world scenarios, including fine-tuning of $textbf{specialist} and textbf{generalist}$ models. In both cases, we demonstrate that 1) better performance can be achieved by increasing the diversity of an established dataset while keeping the data size constant, and 2) when scaling up the data, diversifying the semantics of instructions is more effective than simply increasing the quantity of similar data. Our research provides important insights for dataset collation, particularly when optimizing model performance by expanding training data for both specialist and generalist scenarios. We show that careful consideration of data diversification is key: training specialist models with data extending beyond their core domain leads to significant performance improvements, while generalist models benefit from diverse data mixtures that enhance their overall instruction-following capabilities across a wide range of applications. Our results highlight the critical role of strategic diversification and offer clear guidelines for improving data quality.

Large language models (LLMs) are increasingly integrated into many online services. However, a major challenge in deploying LLMs is their high cost, due primarily to the use of expensive GPU instances. To address this problem, we find that the significant heterogeneity of GPU types presents an opportunity to increase GPU cost efficiency and reduce deployment costs. The broad and growing market of GPUs creates a diverse option space with varying costs and hardware specifications. Within this space, we show that there is not a linear relationship between GPU cost and performance, and identify three key LLM service characteristics that significantly affect which GPU type is the most cost effective: model request size, request rate, and latency service-level objective (SLO). We then present M\'elange, a framework for navigating the diversity of GPUs and LLM service specifications to derive the most cost-efficient set of GPUs for a given LLM service. We frame the task of GPU selection as a cost-aware bin-packing problem, where GPUs are bins with a capacity and cost, and items are request slices defined by a request size and rate. Upon solution, M\'elange derives the minimal-cost GPU allocation that adheres to a configurable latency SLO. Our evaluations across both real-world and synthetic datasets demonstrate that M\'elange can reduce deployment costs by up to 77% as compared to utilizing only a single GPU type, highlighting the importance of making heterogeneity-aware GPU provisioning decisions for LLM serving. Our source code is publicly available at https://github.com/tyler-griggs/melange-release.

In the present study, we extend the approach of the wake field conformal mapping technique to the case of the step transition and a collimator. We assume that all pipes have different arbitrary cross-sectional shapes. We derive simple analytical expressions for the lower and upper bounds of both longitudinal and transverse wake potentials. We test the derived expressions against well-known formulas in several representative examples. The proposed method can greatly simplify the optimization of collimating sections as well as become a useful tool in the exploration of transverse beam shaping ideas.

Instruction tuning of the Large Vision-language Models (LVLMs) has revolutionized the development of versatile models with zero-shot generalization across a wide range of downstream vision-language tasks. However, diversity of training tasks of different sources and formats would lead to inevitable task conflicts, where different tasks conflicts for the same set of model parameters, resulting in sub-optimal instruction-following abilities. To address that, we propose the Mixture of Cluster-conditional LoRA Experts (MoCLE), a novel Mixture of Experts (MoE) architecture designed to activate the task-customized model parameters based on the instruction clusters. A separate universal expert is further incorporated to improve the generalization capabilities of MoCLE for novel instructions. Extensive experiments on 10 zero-shot tasks demonstrate the effectiveness of MoCLE.

The superconducting linear accelerator is a highly flexiable facility for modern scientific discoveries, necessitating weekly reconfiguration and tuning. Accordingly, minimizing setup time proves essential in affording users with ample experimental time. We propose a trend-based soft actor-critic(TBSAC) beam control method with strong robustness, allowing the agents to be trained in a simulated environment and applied to the real accelerator directly with zero-shot. To validate the effectiveness of our method, two different typical beam control tasks were performed on China Accelerator Facility for Superheavy Elements (CAFe II) and a light particle injector(LPI) respectively. The orbit correction tasks were performed in three cryomodules in CAFe II seperately, the time required for tuning has been reduced to one-tenth of that needed by human experts, and the RMS values of the corrected orbit were all less than 1mm. The other transmission efficiency optimization task was conducted in the LPI, our agent successfully optimized the transmission efficiency of radio-frequency quadrupole(RFQ) to over 85% within 2 minutes. The outcomes of these two experiments offer substantiation that our proposed TBSAC approach can efficiently and effectively accomplish beam commissioning tasks while upholding the same standard as skilled human experts. As such, our method exhibits potential for future applications in other accelerator commissioning fields.

We study various machine learning based algorithms for performing accurate jet flavor classification on field-programmable gate arrays and demonstrate how latency and resource consumption scale with the input size and choice of algorithm. These architectures provide an initial design for models that could be used for tagging at the CERN LHC during its high-luminosity phase. The high-luminosity upgrade will lead to a five-fold increase in its instantaneous luminosity for proton-proton collisions and, in turn, higher data volume and complexity, such as the availability of jet constituents. Through quantization-aware training and efficient hardware implementations, we show that O(100) ns inference of complex architectures such as deep sets and interaction networks is feasible at a low computational resource cost.

Extending the context length (i.e., the maximum supported sequence length) of LLMs is of paramount significance. To facilitate long context training of LLMs, sequence parallelism has emerged as an essential technique, which scatters each input sequence across multiple devices and necessitates communication to process the sequence. In essence, existing sequence parallelism methods assume homogeneous sequence lengths (i.e., all input sequences are equal in length) and therefore leverages a single, static scattering strategy for all input sequences. However, in reality, the sequence lengths in LLM training corpora exhibit substantial variability, often following a long-tail distribution, which leads to workload heterogeneity. In this paper, we show that employing a single, static strategy results in inefficiency and resource under-utilization, highlighting the need for adaptive approaches to handle the heterogeneous workloads across sequences. To address this, we propose a heterogeneity-adaptive sequence parallelism method. For each training step, our approach captures the variability in sequence lengths and assigns the optimal combination of scattering strategies based on workload characteristics. We model this problem as a linear programming optimization and design an efficient and effective solver to find the optimal solution. Furthermore, we implement our method in a high-performance system that supports adaptive parallelization in distributed LLM training. Experimental results demonstrate that our system outperforms state-of-the-art training frameworks by up to 1.98x.

MIRACL (Multilingual Information Retrieval Across a Continuum of Languages) is a multilingual dataset we have built for the WSDM 2023 Cup challenge that focuses on ad hoc retrieval across 18 different languages, which collectively encompass over three billion native speakers around the world. These languages have diverse typologies, originate from many different language families, and are associated with varying amounts of available resources -- including what researchers typically characterize as high-resource as well as low-resource languages. Our dataset is designed to support the creation and evaluation of models for monolingual retrieval, where the queries and the corpora are in the same language. In total, we have gathered over 700k high-quality relevance judgments for around 77k queries over Wikipedia in these 18 languages, where all assessments have been performed by native speakers hired by our team. Our goal is to spur research that will improve retrieval across a continuum of languages, thus enhancing information access capabilities for diverse populations around the world, particularly those that have been traditionally underserved. This overview paper describes the dataset and baselines that we share with the community. The MIRACL website is live at http://miracl.ai/.

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency. Unique to antibodies, designing the complementarity-determining region (CDR), which determines the antigen binding affinity and specificity, creates its own unique challenges. Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance, particularly lacking diversity in the generated sequences. In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data - where it may be difficult to train a high-performing model from scratch or effectively fine-tune an existing pre-trained model on the specific task. Specifically, we introduce ReprogBert in which a pretrained English language model is repurposed for protein sequence infilling - thus considers cross-language adaptation using less data. Results on antibody design benchmarks show that our model on low-resourced antibody sequence dataset provides highly diverse CDR sequences, up to more than a two-fold increase of diversity over the baselines, without losing structural integrity and naturalness. The generated sequences also demonstrate enhanced antigen binding specificity and virus neutralization ability. Code is available at https://github.com/IBM/ReprogBERT

Information retrieval involves selecting artifacts from a corpus that are most relevant to a given search query. The flavor of retrieval typically used in classical applications can be termed as homogeneous and relaxed, where queries and corpus elements are both natural language (NL) utterances (homogeneous) and the goal is to pick most relevant elements from the corpus in the Top-K, where K is large, such as 10, 25, 50 or even 100 (relaxed). Recently, retrieval is being used extensively in preparing prompts for large language models (LLMs) to enable LLMs to perform targeted tasks. These new applications of retrieval are often heterogeneous and strict -- the queries and the corpus contain different kinds of entities, such as NL and code, and there is a need for improving retrieval at Top-K for small values of K, such as K=1 or 3 or 5. Current dense retrieval techniques based on pretrained embeddings provide a general-purpose and powerful approach for retrieval, but they are oblivious to task-specific notions of similarity of heterogeneous artifacts. We introduce Adapted Dense Retrieval, a mechanism to transform embeddings to enable improved task-specific, heterogeneous and strict retrieval. Adapted Dense Retrieval works by learning a low-rank residual adaptation of the pretrained black-box embedding. We empirically validate our approach by showing improvements over the state-of-the-art general-purpose embeddings-based baseline.

High-quality, large-scale instructions are crucial for aligning large language models (LLMs), however, there is a severe shortage of instruction in the field of natural language understanding (NLU). Previous works on constructing NLU instructions mainly focus on information extraction (IE), neglecting tasks such as machine reading comprehension, question answering, and text classification. Furthermore, the lack of diversity in the data has led to a decreased generalization ability of trained LLMs in other NLU tasks and a noticeable decline in the fundamental model's general capabilities. To address this issue, we propose Hum, a large-scale, high-quality synthetic instruction corpus for NLU tasks, designed to enhance the NLU capabilities of LLMs. Specifically, Hum includes IE (either close IE or open IE), machine reading comprehension, text classification, and instruction generalist tasks, thereby enriching task diversity. Additionally, we introduce a human-LLMs collaborative mechanism to synthesize instructions, which enriches instruction diversity by incorporating guidelines, preference rules, and format variants. We conduct extensive experiments on 5 NLU tasks and 28 general capability evaluation datasets for LLMs. Experimental results show that Hum enhances the NLU capabilities of six LLMs by an average of 3.1\%, with no significant decline observed in other general capabilities.

Large language models (LLMs) have shown remarkable performance across a wide range of applications, often outperforming human experts. However, deploying these parameter-heavy models efficiently for diverse inference use cases requires carefully designed hardware platforms with ample computing, memory, and network resources. With LLM deployment scenarios and models evolving at breakneck speed, the hardware requirements to meet SLOs remains an open research question. In this work, we present an analytical tool, GenZ, to study the relationship between LLM inference performance and various platform design parameters. Our analysis provides insights into configuring platforms for different LLM workloads and use cases. We quantify the platform requirements to support SOTA LLMs models like LLaMA and GPT-4 under diverse serving settings. Furthermore, we project the hardware capabilities needed to enable future LLMs potentially exceeding hundreds of trillions of parameters. The trends and insights derived from GenZ can guide AI engineers deploying LLMs as well as computer architects designing next-generation hardware accelerators and platforms. Ultimately, this work sheds light on the platform design considerations for unlocking the full potential of large language models across a spectrum of applications. The source code is available at https://github.com/abhibambhaniya/GenZ-LLM-Analyzer .

Reinforcement Learning from Human Feedback (RLHF) has shown potential in qualitative tasks where easily defined performance measures are lacking. However, there are drawbacks when RLHF is commonly used to optimize for average human preferences, especially in generative tasks that demand diverse model responses. Meanwhile, Quality Diversity (QD) algorithms excel at identifying diverse and high-quality solutions but often rely on manually crafted diversity metrics. This paper introduces Quality Diversity through Human Feedback (QDHF), a novel approach that progressively infers diversity metrics from human judgments of similarity among solutions, thereby enhancing the applicability and effectiveness of QD algorithms in complex and open-ended domains. Empirical studies show that QDHF significantly outperforms state-of-the-art methods in automatic diversity discovery and matches the efficacy of QD with manually crafted diversity metrics on standard benchmarks in robotics and reinforcement learning. Notably, in open-ended generative tasks, QDHF substantially enhances the diversity of text-to-image generation from a diffusion model and is more favorably received in user studies. We conclude by analyzing QDHF's scalability, robustness, and quality of derived diversity metrics, emphasizing its strength in open-ended optimization tasks. Code and tutorials are available at https://liding.info/qdhf.

Quality and diversity are two critical metrics for the training data of large language models (LLMs), positively impacting performance. Existing studies often optimize these metrics separately, typically by first applying quality filtering and then adjusting data proportions. However, these approaches overlook the inherent trade-off between quality and diversity, necessitating their joint consideration. Given a fixed training quota, it is essential to evaluate both the quality of each data point and its complementary effect on the overall dataset. In this paper, we introduce a unified data selection framework called QuaDMix, which automatically optimizes the data distribution for LLM pretraining while balancing both quality and diversity. Specifically, we first propose multiple criteria to measure data quality and employ domain classification to distinguish data points, thereby measuring overall diversity. QuaDMix then employs a unified parameterized data sampling function that determines the sampling probability of each data point based on these quality and diversity related labels. To accelerate the search for the optimal parameters involved in the QuaDMix framework, we conduct simulated experiments on smaller models and use LightGBM for parameters searching, inspired by the RegMix method. Our experiments across diverse models and datasets demonstrate that QuaDMix achieves an average performance improvement of 7.2% across multiple benchmarks. These results outperform the independent strategies for quality and diversity, highlighting the necessity and ability to balance data quality and diversity.

Instruction tuning -- fine-tuning a large language model (LLM) on pairs of instructions and desired outcomes -- is an approach that enables pre-trained language models to perform real-world tasks and follow human instructions. Its practical success depends on the model learning a broader set of instructions than those it was trained on. Yet the factors that determine model generalization to such unseen tasks are not well understood. %To understand the driving factors of generalization, In this paper, we experiment with string rewrites, a symbolic task that serves as a building block for Turing complete Markov algorithms while allowing experimental control of "inputs" and "instructions". We investigate the trade-off between the number of instructions the model is trained on and the number of training samples provided for each instruction and observe that the diversity of the instruction set determines generalization. Generalization emerges once a diverse enough set of tasks is provided, even though very few examples are provided for each task. Instruction diversity also ensures robustness with respect to non-uniform distributions of instructions in the training set.

The advent of deep machine learning platforms such as Tensorflow and Pytorch, developed in expressive high-level languages such as Python, have allowed more expressive representations of deep neural network architectures. We argue that such a powerful formalism is missing in information retrieval (IR), and propose a framework called PyTerrier that allows advanced retrieval pipelines to be expressed, and evaluated, in a declarative manner close to their conceptual design. Like the aforementioned frameworks that compile deep learning experiments into primitive GPU operations, our framework targets IR platforms as backends in order to execute and evaluate retrieval pipelines. Further, we can automatically optimise the retrieval pipelines to increase their efficiency to suite a particular IR platform backend. Our experiments, conducted on TREC Robust and ClueWeb09 test collections, demonstrate the efficiency benefits of these optimisations for retrieval pipelines involving both the Anserini and Terrier IR platforms.

Large Language Models (LLMs) excel in understanding human instructions, driving the development of Multimodal LLMs (MLLMs) with instruction tuning. However, acquiring high-quality multimodal instruction tuning data poses a significant challenge. Previous approaches relying on GPT-4 for data generation proved expensive and exhibited unsatisfactory performance for certain tasks. To solve this, we present Genixer, an innovative data generation pipeline producing high-quality multimodal instruction tuning data for various tasks. Genixer collects datasets for ten prevalent multimodal tasks and designs instruction templates to transform these datasets into instruction-tuning data. It then trains pretrained MLLMs to generate task-specific instruction data and proposes an effective data filtering strategy to ensure high quality. To evaluate Genixer, a base MLLM model, Kakapo, is built and achieves SoTA performance in image captioning and visual question answering (VQA) tasks across multiple datasets. Experimental results show that filtered data from Genixer continually improves Kakapo for image captioning and VQA tasks. For the SoTA Shikra MLLM model on the image-region-related tasks, e.g., region caption and detection, Genixer also successfully generates corresponding data and improves its performance. Genixer opens avenues for generating high-quality multimodal instruction data for diverse tasks, enabling innovative applications across domains. The code and models will be released soon.

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM performance on new experiment configurations? Answering this question has practical implications for LLM users (e.g., deciding which models to try), developers (e.g., prioritizing evaluation on representative tasks), and the research community (e.g., identifying hard-to-predict capabilities that warrant further investigation). We study the performance prediction problem on experiment records from BIG-bench. On a random train-test split, an MLP-based predictor achieves an R^2 score greater than 95%, indicating the presence of learnable patterns within the experiment records. We then formulate the problem of searching for "small-bench," an informative subset of BIG-bench tasks from which the performance on the full set can be maximally recovered. We find a subset as informative as BIG-bench Hard for evaluating new model families, while being 3times smaller. Additionally, we find competitive subsets by clustering task representations learned by our MLP-based predictor and selecting tasks close to cluster centroids, highlighting the importance of task diversity in constructing "small-bench."

Large language models (LLMs) can be used to generate text data for training and evaluating other models. However, creating high-quality datasets with LLMs can be challenging. In this work, we explore human-AI partnerships to facilitate high diversity and accuracy in LLM-based text data generation. We first examine two approaches to diversify text generation: 1) logit suppression, which minimizes the generation of languages that have already been frequently generated, and 2) temperature sampling, which flattens the token sampling probability. We found that diversification approaches can increase data diversity but often at the cost of data accuracy (i.e., text and labels being appropriate for the target domain). To address this issue, we examined two human interventions, 1) label replacement (LR), correcting misaligned labels, and 2) out-of-scope filtering (OOSF), removing instances that are out of the user's domain of interest or to which no considered label applies. With oracle studies, we found that LR increases the absolute accuracy of models trained with diversified datasets by 14.4%. Moreover, we found that some models trained with data generated with LR interventions outperformed LLM-based few-shot classification. In contrast, OOSF was not effective in increasing model accuracy, implying the need for future work in human-in-the-loop text data generation.

Generative models are transforming creative domains such as music generation, with inference-time strategies like Classifier-Free Guidance (CFG) playing a crucial role. However, CFG doubles inference cost while limiting originality and diversity across generated contents. In this paper, we introduce diversity-rewarded CFG distillation, a novel finetuning procedure that distills the strengths of CFG while addressing its limitations. Our approach optimises two training objectives: (1) a distillation objective, encouraging the model alone (without CFG) to imitate the CFG-augmented predictions, and (2) an RL objective with a diversity reward, promoting the generation of diverse outputs for a given prompt. By finetuning, we learn model weights with the ability to generate high-quality and diverse outputs, without any inference overhead. This also unlocks the potential of weight-based model merging strategies: by interpolating between the weights of two models (the first focusing on quality, the second on diversity), we can control the quality-diversity trade-off at deployment time, and even further boost performance. We conduct extensive experiments on the MusicLM (Agostinelli et al., 2023) text-to-music generative model, where our approach surpasses CFG in terms of quality-diversity Pareto optimality. According to human evaluators, our finetuned-then-merged model generates samples with higher quality-diversity than the base model augmented with CFG. Explore our generations at https://google-research.github.io/seanet/musiclm/diverse_music/.

Hybrid search has emerged as an effective strategy to offset the limitations of different matching paradigms, especially in out-of-domain contexts where notable improvements in retrieval quality have been observed. However, existing research predominantly focuses on a limited set of retrieval methods, evaluated in pairs on domain-general datasets exclusively in English. In this work, we study the efficacy of hybrid search across a variety of prominent retrieval models within the unexplored field of law in the French language, assessing both zero-shot and in-domain scenarios. Our findings reveal that in a zero-shot context, fusing different domain-general models consistently enhances performance compared to using a standalone model, regardless of the fusion method. Surprisingly, when models are trained in-domain, we find that fusion generally diminishes performance relative to using the best single system, unless fusing scores with carefully tuned weights. These novel insights, among others, expand the applicability of prior findings across a new field and language, and contribute to a deeper understanding of hybrid search in non-English specialized domains.

Lexically constrained text generation is one of the constrained text generation tasks, which aims to generate text that covers all the given constraint lexicons. While the existing approaches tackle this problem using a lexically constrained beam search algorithm or dedicated model using non-autoregressive decoding, there is a trade-off between the generated text quality and the hard constraint satisfaction. We introduce AutoTemplate, a simple yet effective lexically constrained text generation framework divided into template generation and lexicalization tasks. The template generation is to generate the text with the placeholders, and lexicalization replaces them into the constraint lexicons to perform lexically constrained text generation. We conducted the experiments on two tasks: keywords-to-sentence generations and entity-guided summarization. Experimental results show that the AutoTemplate outperforms the competitive baselines on both tasks while satisfying the hard lexical constraints.

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances. The dataset is publicly available at https://sites.google.com/usc.edu/distributional-miplib/home.

Ultra-fine entity typing plays a crucial role in information extraction by predicting fine-grained semantic types for entity mentions in text. However, this task poses significant challenges due to the massive number of entity types in the output space. The current state-of-the-art approaches, based on standard multi-label classifiers or cross-encoder models, suffer from poor generalization performance or inefficient inference. In this paper, we present CASENT, a seq2seq model designed for ultra-fine entity typing that predicts ultra-fine types with calibrated confidence scores. Our model takes an entity mention as input and employs constrained beam search to generate multiple types autoregressively. The raw sequence probabilities associated with the predicted types are then transformed into confidence scores using a novel calibration method. We conduct extensive experiments on the UFET dataset which contains over 10k types. Our method outperforms the previous state-of-the-art in terms of F1 score and calibration error, while achieving an inference speedup of over 50 times. Additionally, we demonstrate the generalization capabilities of our model by evaluating it in zero-shot and few-shot settings on five specialized domain entity typing datasets that are unseen during training. Remarkably, our model outperforms large language models with 10 times more parameters in the zero-shot setting, and when fine-tuned on 50 examples, it significantly outperforms ChatGPT on all datasets. Our code, models and demo are available at https://github.com/yanlinf/CASENT.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Existing information retrieval (IR) models often assume a homogeneous structure for knowledge sources and user queries, limiting their applicability in real-world settings where retrieval is inherently heterogeneous and diverse. In this paper, we introduce UniHGKR, a unified instruction-aware heterogeneous knowledge retriever that (1) builds a unified retrieval space for heterogeneous knowledge and (2) follows diverse user instructions to retrieve knowledge of specified types. UniHGKR consists of three principal stages: heterogeneous self-supervised pretraining, text-anchored embedding alignment, and instruction-aware retriever fine-tuning, enabling it to generalize across varied retrieval contexts. This framework is highly scalable, with a BERT-based version and a UniHGKR-7B version trained on large language models. Also, we introduce CompMix-IR, the first native heterogeneous knowledge retrieval benchmark. It includes two retrieval scenarios with various instructions, over 9,400 question-answer (QA) pairs, and a corpus of 10 million entries, covering four different types of data. Extensive experiments show that UniHGKR consistently outperforms state-of-the-art methods on CompMix-IR, achieving up to 6.36% and 54.23% relative improvements in two scenarios, respectively. Finally, by equipping our retriever for open-domain heterogeneous QA systems, we achieve a new state-of-the-art result on the popular ConvMix task, with an absolute improvement of up to 4.80 points.

The remarkable capabilities and intricate nature of Artificial Intelligence (AI) have dramatically escalated the imperative for specialized AI accelerators. Nonetheless, designing these accelerators for various AI workloads remains both labor- and time-intensive. While existing design exploration and automation tools can partially alleviate the need for extensive human involvement, they still demand substantial hardware expertise, posing a barrier to non-experts and stifling AI accelerator development. Motivated by the astonishing potential of large language models (LLMs) for generating high-quality content in response to human language instructions, we embark on this work to examine the possibility of harnessing LLMs to automate AI accelerator design. Through this endeavor, we develop GPT4AIGChip, a framework intended to democratize AI accelerator design by leveraging human natural languages instead of domain-specific languages. Specifically, we first perform an in-depth investigation into LLMs' limitations and capabilities for AI accelerator design, thus aiding our understanding of our current position and garnering insights into LLM-powered automated AI accelerator design. Furthermore, drawing inspiration from the above insights, we develop a framework called GPT4AIGChip, which features an automated demo-augmented prompt-generation pipeline utilizing in-context learning to guide LLMs towards creating high-quality AI accelerator design. To our knowledge, this work is the first to demonstrate an effective pipeline for LLM-powered automated AI accelerator generation. Accordingly, we anticipate that our insights and framework can serve as a catalyst for innovations in next-generation LLM-powered design automation tools.

The sharp increase in data-related expenses has motivated research into condensing datasets while retaining the most informative features. Dataset distillation has thus recently come to the fore. This paradigm generates synthetic datasets that are representative enough to replace the original dataset in training a neural network. To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach. Specifically, we introduce a novel method that employs dynamic and directed weight adjustment techniques to modulate the synthesis process, thereby maximizing the representativeness and diversity of each synthetic instance. Our method ensures that each batch of synthetic data mirrors the characteristics of a large, varying subset of the original dataset. Extensive experiments across multiple datasets, including CIFAR, Tiny-ImageNet, and ImageNet-1K, demonstrate the superior performance of our method, highlighting its effectiveness in producing diverse and representative synthetic datasets with minimal computational expense. Our code is available at https://github.com/AngusDujw/Diversity-Driven-Synthesis.https://github.com/AngusDujw/Diversity-Driven-Synthesis.

Keeping track of scientific challenges, advances and emerging directions is a fundamental part of research. However, researchers face a flood of papers that hinders discovery of important knowledge. In biomedicine, this directly impacts human lives. To address this problem, we present a novel task of extraction and search of scientific challenges and directions, to facilitate rapid knowledge discovery. We construct and release an expert-annotated corpus of texts sampled from full-length papers, labeled with novel semantic categories that generalize across many types of challenges and directions. We focus on a large corpus of interdisciplinary work relating to the COVID-19 pandemic, ranging from biomedicine to areas such as AI and economics. We apply a model trained on our data to identify challenges and directions across the corpus and build a dedicated search engine. In experiments with 19 researchers and clinicians using our system, we outperform a popular scientific search engine in assisting knowledge discovery. Finally, we show that models trained on our resource generalize to the wider biomedical domain and to AI papers, highlighting its broad utility. We make our data, model and search engine publicly available. https://challenges.apps.allenai.org/

The existing search tools for exploring the NASA Astrophysics Data System (ADS) can be quite rich and empowering (e.g., similar and trending operators), but researchers are not yet allowed to fully leverage semantic search. For example, a query for "results from the Planck mission" should be able to distinguish between all the various meanings of Planck (person, mission, constant, institutions and more) without further clarification from the user. At ADS, we are applying modern machine learning and natural language processing techniques to our dataset of recent astronomy publications to train astroBERT, a deeply contextual language model based on research at Google. Using astroBERT, we aim to enrich the ADS dataset and improve its discoverability, and in particular we are developing our own named entity recognition tool. We present here our preliminary results and lessons learned.

Despite the critical need to align search targets with users' intention, retrievers often only prioritize query information without delving into the users' intended search context. Enhancing the capability of retrievers to understand intentions and preferences of users, akin to language model instructions, has the potential to yield more aligned search targets. Prior studies restrict the application of instructions in information retrieval to a task description format, neglecting the broader context of diverse and evolving search scenarios. Furthermore, the prevailing benchmarks utilized for evaluation lack explicit tailoring to assess instruction-following ability, thereby hindering progress in this field. In response to these limitations, we propose a novel benchmark,INSTRUCTIR, specifically designed to evaluate instruction-following ability in information retrieval tasks. Our approach focuses on user-aligned instructions tailored to each query instance, reflecting the diverse characteristics inherent in real-world search scenarios. Through experimental analysis, we observe that retrievers fine-tuned to follow task-style instructions, such as INSTRUCTOR, can underperform compared to their non-instruction-tuned counterparts. This underscores potential overfitting issues inherent in constructing retrievers trained on existing instruction-aware retrieval datasets.

Tool learning has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools. Existing tool learning studies primarily focus on the general-purpose tool-use capability, which addresses explicit user requirements in instructions. However, they overlook the importance of personalized tool-use capability, leading to an inability to handle implicit user preferences. To address the limitation, we first formulate the task of personalized tool learning, which integrates user's interaction history towards personalized tool usage. To fill the gap of missing benchmarks, we construct PEToolBench, featuring diverse user preferences reflected in interaction history under three distinct personalized settings, and encompassing a wide range of tool-use scenarios. Moreover, we propose a framework PEToolLLaMA to adapt LLMs to the personalized tool learning task, which is trained through supervised fine-tuning and direct preference optimization. Extensive experiments on PEToolBench demonstrate the superiority of PEToolLLaMA over existing LLMs.

Beam codebooks are a new feature of massive multiple-input multiple-output (M-MIMO) in 5G new radio (NR). Codebooks comprised of beamforming vectors are used to transmit reference signals and obtain limited channel state information (CSI) from receivers via the codeword index. This enables large arrays that cannot otherwise obtain sufficient CSI. The performance, however, is limited by the codebook design. In this paper, we show that machine learning can be used to train site-specific codebooks for initial access. We design a neural network based on an autoencoder architecture that uses a beamspace observation in combination with RF environment characteristics to improve the synchronization signal (SS) burst codebook. We test our algorithm using a flexible dataset of channels generated from QuaDRiGa. The results show that our model outperforms the industry standard (DFT beams) and approaches the optimal performance (perfect CSI and singular value decomposition (SVD)-based beamforming), using only a few bits of feedback.

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning (ML) for metamaterial discovery is hindered by three fundamental challenges: (C1) Data Heterogeneity Challenge arises from heterogeneous data sources, heterogeneous composition scales, and heterogeneous structure categories; (C2) Model Complexity Challenge stems from the intricate geometric constraints of ML models, which complicate their adaptation to metamaterial structures; and (C3) Human-AI Collaboration Challenge comes from the "dual black-box'' nature of sophisticated ML models and the need for intuitive user interfaces. To tackle these challenges, we introduce a unified framework, named MetamatBench, that operates on three levels. (1) At the data level, we integrate and standardize 5 heterogeneous, multi-modal metamaterial datasets. (2) The ML level provides a comprehensive toolkit that adapts 17 state-of-the-art ML methods for metamaterial discovery. It also includes a comprehensive evaluation suite with 12 novel performance metrics with finite element-based assessments to ensure accurate and reliable model validation. (3) The user level features a visual-interactive interface that bridges the gap between complex ML techniques and non-ML researchers, advancing property prediction and inverse design of metamaterials for research and applications. MetamatBench offers a unified platform deployed at http://zhoulab-1.cs.vt.edu:5550 that enables machine learning researchers and practitioners to develop and evaluate new methodologies in metamaterial discovery. For accessibility and reproducibility, we open-source our benchmark and the codebase at https://github.com/cjpcool/Metamaterial-Benchmark.

Instruction-tuning can be substantially optimized through enhanced diversity, resulting in models capable of handling a broader spectrum of tasks. However, existing data employed for such tuning often exhibit an inadequate coverage of individual domains, limiting the scope for nuanced comprehension and interactions within these areas. To address this deficiency, we propose Explore-Instruct, a novel approach to enhance the data coverage to be used in domain-specific instruction-tuning through active exploration via Large Language Models (LLMs). Built upon representative domain use cases, Explore-Instruct explores a multitude of variations or possibilities by implementing a search algorithm to obtain diversified and domain-focused instruction-tuning data. Our data-centric analysis validates the effectiveness of this proposed approach in improving domain-specific instruction coverage. Moreover, our model's performance demonstrates considerable advancements over multiple baselines, including those utilizing domain-specific data enhancement. Our findings offer a promising opportunity to improve instruction coverage, especially in domain-specific contexts, thereby advancing the development of adaptable language models. Our code, model weights, and data are public at https://github.com/fanqiwan/Explore-Instruct.

Beamforming techniques are considered as essential parts to compensate the severe path loss in millimeter-wave (mmWave) communications by adopting large antenna arrays and formulating narrow beams to obtain satisfactory received powers. However, performing accurate beam alignment over such narrow beams for efficient link configuration by traditional beam selection approaches, mainly relied on channel state information, typically impose significant latency and computing overheads, which is often infeasible in vehicle-to-vehicle (V2V) communications like highly dynamic scenarios. In contrast, utilizing out-of-band contextual information, such as vehicular position information, is a potential alternative to reduce such overheads. In this context, this paper presents a deep learning-based solution on utilizing the vehicular position information for predicting the optimal beams having sufficient mmWave received powers so that the best V2V line-of-sight links can be ensured proactively. After experimental evaluation of the proposed solution on real-world measured mmWave sensing and communications datasets, the results show that the solution can achieve up to 84.58% of received power of link status on average, which confirm a promising solution for beamforming in mmWave at 60 GHz enabled V2V communications.

Although humans inherently have diverse values, current large language model (LLM) alignment methods often assume that aligning LLMs with the general public's preferences is optimal. A major challenge in adopting a more individualized approach to LLM alignment is its lack of scalability, as it involves repeatedly acquiring preference data and training new reward models and LLMs for each individual's preferences. To address these challenges, we propose a new paradigm where users specify what they value most within the system message, steering the LLM's generation behavior to better align with the user's intentions. However, a naive application of such an approach is non-trivial since LLMs are typically trained on a uniform system message (e.g., "You are a helpful assistant") which limits their ability to generalize to diverse, unseen system messages. To improve this generalization, we create the Multifaceted Collection, a preference dataset with 192k combinations of values beyond generic helpfulness and harmlessness, spanning 65k user instructions. Using this dataset, we train a 7B LLM called Janus and test it on 921 prompts from 5 benchmarks (AlpacaEval 2.0, FLASK, Koala, MT-Bench, and Self-Instruct) by adding various unseen system messages that reflect user preferences. Janus achieves tie+win rate of 75.2%, 72.4%, and 66.4% against Mistral 7B Instruct v0.2, GPT-3.5 Turbo, and GPT-4, respectively. Unexpectedly, on three benchmarks focused on response helpfulness (AlpacaEval 2.0, MT-Bench, Arena Hard Auto v0.1), Janus also outperforms LLaMA 3 8B Instruct by a +4.0%, +0.1%, +3.0% margin, underscoring that training with a vast array of system messages could also enhance alignment to the general public's preference as well. Our code, dataset, benchmark, and models are available at https://github.com/kaistAI/Janus.

We present a novel method for measuring |V_{cb}| at the LHC using an advanced boosted-jet tagger to identify "bc signatures". By associating boosted W rightarrow bc signals with bc-matched jets from top-quark decays, we enable an in-situ calibration of the tagger. This approach significantly suppresses backgrounds while reducing uncertainties in flavor tagging efficiencies -- key to improving measurement precision. Our study is enabled by the development of realistic, AI-based large- and small-radius taggers, Sophon and the newly introduced SophonAK4, validated to match ATLAS and CMS's state-of-the-art taggers. The method complements the conventional small radius jet approach and enables a ~30% improvement in |V_{cb}| precision under HL-LHC projections. As a byproduct, it enhances H^{pm} rightarrow bc search sensitivity by a factor of 2--5 over the recent ATLAS result based on Run 2 data. Our work offers a new perspective for the precision |V_{cb}| measurement and highlights the potential of using advanced tagging models to probe unexplored boosted regimes at the LHC.

While the field of Quality-Diversity (QD) has grown into a distinct branch of stochastic optimization, a few problems, in particular locomotion and navigation tasks, have become de facto standards. Are such benchmarks sufficient? Are they representative of the key challenges faced by QD algorithms? Do they provide the ability to focus on one particular challenge by properly disentangling it from others? Do they have much predictive power in terms of scalability and generalization? Existing benchmarks are not standardized, and there is currently no MNIST equivalent for QD. Inspired by recent works on Reinforcement Learning benchmarks, we argue that the identification of challenges faced by QD methods and the development of targeted, challenging, scalable but affordable benchmarks is an important step. As an initial effort, we identify three problems that are challenging in sparse reward settings, and propose associated benchmarks: (1) Behavior metric bias, which can result from the use of metrics that do not match the structure of the behavior space. (2) Behavioral Plateaus, with varying characteristics, such that escaping them would require adaptive QD algorithms and (3) Evolvability Traps, where small variations in genotype result in large behavioral changes. The environments that we propose satisfy the properties listed above.

The rapid development of large language and vision models (LLVMs) has been driven by advances in visual instruction tuning. Recently, open-source LLVMs have curated high-quality visual instruction tuning datasets and utilized additional vision encoders or multiple computer vision models in order to narrow the performance gap with powerful closed-source LLVMs. These advancements are attributed to multifaceted information required for diverse capabilities, including fundamental image understanding, real-world knowledge about common-sense and non-object concepts (e.g., charts, diagrams, symbols, signs, and math problems), and step-by-step procedures for solving complex questions. Drawing from the multifaceted information, we present a new efficient LLVM, Mamba-based traversal of rationales (Meteor), which leverages multifaceted rationale to enhance understanding and answering capabilities. To embed lengthy rationales containing abundant information, we employ the Mamba architecture, capable of processing sequential data with linear time complexity. We introduce a new concept of traversal of rationale that facilitates efficient embedding of rationale. Subsequently, the backbone multimodal language model (MLM) is trained to generate answers with the aid of rationale. Through these steps, Meteor achieves significant improvements in vision language performances across multiple evaluation benchmarks requiring diverse capabilities, without scaling up the model size or employing additional vision encoders and computer vision models.

We provide a reproducible, end-to-end demonstration of vector search with OpenAI embeddings using Lucene on the popular MS MARCO passage ranking test collection. The main goal of our work is to challenge the prevailing narrative that a dedicated vector store is necessary to take advantage of recent advances in deep neural networks as applied to search. Quite the contrary, we show that hierarchical navigable small-world network (HNSW) indexes in Lucene are adequate to provide vector search capabilities in a standard bi-encoder architecture. This suggests that, from a simple cost-benefit analysis, there does not appear to be a compelling reason to introduce a dedicated vector store into a modern "AI stack" for search, since such applications have already received substantial investments in existing, widely deployed infrastructure.

Large language models (LLMs) have demonstrated remarkable performance in diverse tasks using zero-shot and few-shot prompting. Even though their capabilities of data synthesis have been studied well in recent years, the generated data suffers from a lack of diversity, less adherence to the prompt, and potential biases that creep into the data from the generator model. In this work, we tackle the challenge of generating datasets with high diversity, upon which a student model is trained for downstream tasks. Taking the route of decoding-time guidance-based approaches, we propose CorrSynth, which generates data that is more diverse and faithful to the input prompt using a correlated sampling strategy. Further, our method overcomes the complexity drawbacks of some other guidance-based techniques like classifier-based guidance. With extensive experiments, we show the effectiveness of our approach and substantiate our claims. In particular, we perform intrinsic evaluation to show the improvements in diversity. Our experiments show that CorrSynth improves both student metrics and intrinsic metrics upon competitive baselines across four datasets, showing the innate advantage of our method.

Neural Machine Translation (NMT) is an end-to-end learning approach for automated translation, with the potential to overcome many of the weaknesses of conventional phrase-based translation systems. Unfortunately, NMT systems are known to be computationally expensive both in training and in translation inference. Also, most NMT systems have difficulty with rare words. These issues have hindered NMT's use in practical deployments and services, where both accuracy and speed are essential. In this work, we present GNMT, Google's Neural Machine Translation system, which attempts to address many of these issues. Our model consists of a deep LSTM network with 8 encoder and 8 decoder layers using attention and residual connections. To improve parallelism and therefore decrease training time, our attention mechanism connects the bottom layer of the decoder to the top layer of the encoder. To accelerate the final translation speed, we employ low-precision arithmetic during inference computations. To improve handling of rare words, we divide words into a limited set of common sub-word units ("wordpieces") for both input and output. This method provides a good balance between the flexibility of "character"-delimited models and the efficiency of "word"-delimited models, naturally handles translation of rare words, and ultimately improves the overall accuracy of the system. Our beam search technique employs a length-normalization procedure and uses a coverage penalty, which encourages generation of an output sentence that is most likely to cover all the words in the source sentence. On the WMT'14 English-to-French and English-to-German benchmarks, GNMT achieves competitive results to state-of-the-art. Using a human side-by-side evaluation on a set of isolated simple sentences, it reduces translation errors by an average of 60% compared to Google's phrase-based production system.

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses and designing novel biotherapeutic proteins. Deep generative models of protein sequences trained on multiple sequence alignments have been the most successful approaches so far to address these tasks. The performance of these methods is however contingent on the availability of sufficiently deep and diverse alignments for reliable training. Their potential scope is thus limited by the fact many protein families are hard, if not impossible, to align. Large language models trained on massive quantities of non-aligned protein sequences from diverse families address these problems and show potential to eventually bridge the performance gap. We introduce Tranception, a novel transformer architecture leveraging autoregressive predictions and retrieval of homologous sequences at inference to achieve state-of-the-art fitness prediction performance. Given its markedly higher performance on multiple mutants, robustness to shallow alignments and ability to score indels, our approach offers significant gain of scope over existing approaches. To enable more rigorous model testing across a broader range of protein families, we develop ProteinGym -- an extensive set of multiplexed assays of variant effects, substantially increasing both the number and diversity of assays compared to existing benchmarks.

Existing large language model-based code generation pipelines typically use beam search or sampling algorithms during the decoding process. Although the programs they generate achieve high token-matching-based scores, they often fail to compile or generate incorrect outputs. The main reason is that conventional Transformer decoding algorithms may not be the best choice for code generation. In this work, we propose a novel Transformer decoding algorithm, Planning-Guided Transformer Decoding (PG-TD), that uses a planning algorithm to do lookahead search and guide the Transformer to generate better programs. Specifically, instead of simply optimizing the likelihood of the generated sequences, the Transformer makes use of a planner to generate candidate programs and test them on public test cases. The Transformer can therefore make more informed decisions and generate tokens that will eventually lead to higher-quality programs. We also design a mechanism that shares information between the Transformer and the planner to make our algorithm computationally efficient. We empirically evaluate our framework with several large language models as backbones on public coding challenge benchmarks, showing that 1) it can generate programs that consistently achieve higher performance compared with competing baseline methods; 2) it enables controllable code generation, such as concise codes and highly-commented codes by optimizing modified objective.

An important challenge in machine translation (MT) is to generate high-quality and diverse translations. Prior work has shown that the estimated likelihood from the MT model correlates poorly with translation quality. In contrast, quality evaluation metrics (such as COMET or BLEURT) exhibit high correlations with human judgments, which has motivated their use as rerankers (such as quality-aware and minimum Bayes risk decoding). However, relying on a single translation with high estimated quality increases the chances of "gaming the metric''. In this paper, we address the problem of sampling a set of high-quality and diverse translations. We provide a simple and effective way to avoid over-reliance on noisy quality estimates by using them as the energy function of a Gibbs distribution. Instead of looking for a mode in the distribution, we generate multiple samples from high-density areas through the Metropolis-Hastings algorithm, a simple Markov chain Monte Carlo approach. The results show that our proposed method leads to high-quality and diverse outputs across multiple language pairs (Englishleftrightarrow{German, Russian}) with two strong decoder-only LLMs (Alma-7b, Tower-7b).

Large Language Models (LLMs) have demonstrated proficiency in addressing tasks that necessitate a combination of task planning and the usage of external tools that require a blend of task planning and the utilization of external tools, such as APIs. However, real-world complex systems present three prevalent challenges concerning task planning and tool usage: (1) The real system usually has a vast array of APIs, so it is impossible to feed the descriptions of all APIs to the prompt of LLMs as the token length is limited; (2) the real system is designed for handling complex tasks, and the base LLMs can hardly plan a correct sub-task order and API-calling order for such tasks; (3) Similar semantics and functionalities among APIs in real systems create challenges for both LLMs and even humans in distinguishing between them. In response, this paper introduces a comprehensive framework aimed at enhancing the Task Planning and Tool Usage (TPTU) abilities of LLM-based agents operating within real-world systems. Our framework comprises three key components designed to address these challenges: (1) the API Retriever selects the most pertinent APIs for the user task among the extensive array available; (2) LLM Finetuner tunes a base LLM so that the finetuned LLM can be more capable for task planning and API calling; (3) the Demo Selector adaptively retrieves different demonstrations related to hard-to-distinguish APIs, which is further used for in-context learning to boost the final performance. We validate our methods using a real-world commercial system as well as an open-sourced academic dataset, and the outcomes clearly showcase the efficacy of each individual component as well as the integrated framework.

Mixed Integer Linear Programming (MILP) is essential for modeling complex decision-making problems but faces challenges in computational tractability and requires expert formulation. Current deep learning approaches for MILP focus on specific problem classes and do not generalize to unseen classes. To address this shortcoming, we take a foundation model training approach, where we train a single deep learning model on a diverse set of MILP problems to generalize across problem classes. As existing datasets for MILP lack diversity and volume, we introduce MILP-Evolve, a novel LLM-based evolutionary framework that is capable of generating a large set of diverse MILP classes with an unlimited amount of instances. We study our methodology on three key learning tasks that capture diverse aspects of MILP: (1) integrality gap prediction, (2) learning to branch, and (3) a new task of aligning MILP instances with natural language descriptions. Our empirical results show that models trained on the data generated by MILP-Evolve achieve significant improvements on unseen problems, including MIPLIB benchmarks. Our work highlights the potential of moving towards a foundation model approach for MILP that can generalize to a broad range of MILP applications. Our code and data are publicly available at https://github.com/microsoft/OptiGuide.

Current multimodal language models (MLMs) evaluation and training approaches overlook the influence of instruction format, presenting an elephant-in-the-room problem. Previous research deals with this problem by manually crafting instructions, failing to yield significant insights due to limitations in diversity and scalability. In this work, we propose a programmatic instruction template generator capable of producing over 39B unique template combinations by filling randomly sampled positional synonyms into weighted sampled meta templates, enabling us to comprehensively examine the MLM's performance across diverse instruction templates. Our experiments across eight common MLMs on five benchmark datasets reveal that MLMs have high template sensitivities with at most 29% performance gaps between different templates. We further augment the instruction tuning dataset of LLaVA-1.5 with our template generator and perform instruction tuning on LLaVA-1.5-7B and LLaVA-1.5-13B. Models tuned on our augmented dataset achieve the best overall performance when compared with the same scale MLMs tuned on at most 75 times the scale of our augmented dataset, highlighting the importance of instruction templates in MLM training. The code is available at https://github.com/shijian2001/TemplateMatters .

In code search, the Generation-Augmented Retrieval (GAR) framework, which generates exemplar code snippets to augment queries, has emerged as a promising strategy to address the principal challenge of modality misalignment between code snippets and natural language queries, particularly with the demonstrated code generation capabilities of Large Language Models (LLMs). Nevertheless, our preliminary investigations indicate that the improvements conferred by such an LLM-augmented framework are somewhat constrained. This limitation could potentially be ascribed to the fact that the generated codes, albeit functionally accurate, frequently display a pronounced stylistic deviation from the ground truth code in the codebase. In this paper, we extend the foundational GAR framework and propose a simple yet effective method that additionally Rewrites the Code (ReCo) within the codebase for style normalization. Experimental results demonstrate that ReCo significantly boosts retrieval accuracy across sparse (up to 35.7%), zero-shot dense (up to 27.6%), and fine-tuned dense (up to 23.6%) retrieval settings in diverse search scenarios. To further elucidate the advantages of ReCo and stimulate research in code style normalization, we introduce Code Style Similarity, the first metric tailored to quantify stylistic similarities in code. Notably, our empirical findings reveal the inadequacy of existing metrics in capturing stylistic nuances.

Inference-time techniques are emerging as highly effective tools to enhance large language model (LLM) capabilities. However, best practices for developing systems that combine these techniques remain underdeveloped due to our limited understanding of the utility of individual inference-time techniques and the interactions between them. Additionally, efficiently and automatically searching the space of model choices, inference-time techniques, and their compositions is challenging due to the large design space. To address these challenges, we introduce Archon, a modular framework for selecting, combining, and stacking layers of inference-time techniques to construct optimized LLM systems for target benchmarks. Rather than relying on a single LLM called once, we leverage a diverse set of LLMs and inference-time techniques, creating LLM systems greater than the sum of their parts. Archon defines an extensible design space, encompassing techniques such as generation ensembling, repeated sampling, ranking, fusion, critiquing, verification, and unit testing. It transforms the problem of building LLM systems into a hyperparameter optimization objective. Given the available LLMs, inference-time techniques, and compute budget, Archon utilizes hyperparameter search techniques to discover optimized architectures for target benchmark(s). We evaluate Archon architectures across a range of instruction-following, reasoning, and coding benchmarks, including MT-Bench, Arena-Hard-Auto, AlpacaEval 2.0, MixEval, MixEval Hard, MATH, and CodeContests. Archon architectures outperform frontier models, such as GPT-4o and Claude 3.5 Sonnet, on these benchmarks, achieving an average accuracy increase of 15.1 percentage points by using all available LLMs. We make our code and datasets available publicly on Github: https://github.com/ScalingIntelligence/Archon.

Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when generated with decoding algorithms such as greedy search, beam search, top-k sampling, and nucleus sampling. In this paper, we focus on the problem of non-terminating sequences resulting from an incomplete decoding algorithm. We first define an incomplete probable decoding algorithm which includes greedy search, top-k sampling, and nucleus sampling, beyond the incomplete decoding algorithm originally put forward by Welleck et al. (2020). We then propose a non-monotonic self-terminating language model, which significantly relaxes the constraint of monotonically increasing termination probability in the originally proposed self-terminating language model by Welleck et al. (2020), to address the issue of non-terminating sequences when using incomplete probable decoding algorithms. We prove that our proposed model prevents non-terminating sequences when using not only incomplete probable decoding algorithms but also beam search. We empirically validate our model on sequence completion tasks with various architectures.

This paper introduces Sparsified Late Interaction for Multi-vector (SLIM) retrieval with inverted indexes. Multi-vector retrieval methods have demonstrated their effectiveness on various retrieval datasets, and among them, ColBERT is the most established method based on the late interaction of contextualized token embeddings of pre-trained language models. However, efficient ColBERT implementations require complex engineering and cannot take advantage of off-the-shelf search libraries, impeding their practical use. To address this issue, SLIM first maps each contextualized token vector to a sparse, high-dimensional lexical space before performing late interaction between these sparse token embeddings. We then introduce an efficient two-stage retrieval architecture that includes inverted index retrieval followed by a score refinement module to approximate the sparsified late interaction, which is fully compatible with off-the-shelf lexical search libraries such as Lucene. SLIM achieves competitive accuracy on MS MARCO Passages and BEIR compared to ColBERT while being much smaller and faster on CPUs. To our knowledge, we are the first to explore using sparse token representations for multi-vector retrieval. Source code and data are integrated into the Pyserini IR toolkit.

We investigate the potential of GPT-4~gpt4 to perform Neural Architecture Search (NAS) -- the task of designing effective neural architectures. Our proposed approach, GPT-4 Enhanced Neural archItectUre Search (GENIUS), leverages the generative capabilities of GPT-4 as a black-box optimiser to quickly navigate the architecture search space, pinpoint promising candidates, and iteratively refine these candidates to improve performance. We assess GENIUS across several benchmarks, comparing it with existing state-of-the-art NAS techniques to illustrate its effectiveness. Rather than targeting state-of-the-art performance, our objective is to highlight GPT-4's potential to assist research on a challenging technical problem through a simple prompting scheme that requires relatively limited domain expertiseCode available at \href{https://github.com/mingkai-zheng/GENIUS{https://github.com/mingkai-zheng/GENIUS}.}. More broadly, we believe our preliminary results point to future research that harnesses general purpose language models for diverse optimisation tasks. We also highlight important limitations to our study, and note implications for AI safety.

Large Vision-Language Models (VLMs), such as GPT-4, have achieved remarkable success across various fields. However, there are few studies on 3D indoor scene generation with VLMs. This paper considers this task as a planning problem subject to spatial and layout common sense constraints. To solve the problem with a VLM, we propose a new global-local tree search algorithm. Globally, the method places each object sequentially and explores multiple placements during each placement process, where the problem space is represented as a tree. To reduce the depth of the tree, we decompose the scene structure hierarchically, i.e. room level, region level, floor object level, and supported object level. The algorithm independently generates the floor objects in different regions and supported objects placed on different floor objects. Locally, we also decompose the sub-task, the placement of each object, into multiple steps. The algorithm searches the tree of problem space. To leverage the VLM model to produce positions of objects, we discretize the top-down view space as a dense grid and fill each cell with diverse emojis to make to cells distinct. We prompt the VLM with the emoji grid and the VLM produces a reasonable location for the object by describing the position with the name of emojis. The quantitative and qualitative experimental results illustrate our approach generates more plausible 3D scenes than state-of-the-art approaches. Our source code is available at https://github.com/dw-dengwei/TreeSearchGen .

A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of decoding algorithm remain unclear. Previous works only compare decoding algorithms in narrow scenarios and their findings do not generalize across tasks. To better structure the discussion, we introduce a taxonomy that groups decoding strategies based on their implicit assumptions about how well the model's likelihood is aligned with the task-specific notion of utility. We argue that this taxonomy allows a broader view of the decoding problem and can lead to generalizable statements because it is grounded on the interplay between the decoding algorithms and the likelihood-utility misalignment. Specifically, by analyzing the correlation between the likelihood and the utility of predictions across a diverse set of tasks, we provide the first empirical evidence supporting the proposed taxonomy, and a set of principles to structure reasoning when choosing a decoding algorithm. Crucially, our analysis is the first one to relate likelihood-based decoding strategies with strategies that rely on external information such as value-guided methods and prompting, and covers the most diverse set of tasks up-to-date.

As the demand for high-quality data in model training grows, researchers and developers are increasingly generating synthetic data to tune and train LLMs. A common assumption about synthetic data is that sampling from instruct-tuned models is sufficient; however, these models struggle to produce diverse outputs-a key requirement for generalization. Despite various prompting methods, in this work we show that achieving meaningful diversity from instruct-tuned models remains challenging. In contrast, we find base models without post-training exhibit greater diversity, but are less capable at instruction following and hence of lower quality. Leveraging this insight, we propose Base-Refine (BARE), a synthetic data generation method that combines the diversity of base models with the quality of instruct-tuned models through a two-stage process. With minimal few-shot examples and curation, BARE generates diverse and high-quality datasets, improving downstream task performance. We show that fine-tuning with as few as 1,000 BARE-generated samples can reach performance comparable to the best similarly sized models on LiveCodeBench tasks. Furthermore, fine-tuning with BARE-generated data achieves a 101% improvement over instruct-only data on GSM8K and a 18.4% improvement over SOTA methods on RAFT.

Instruction tuning is critical for adapting large language models (LLMs) to downstream tasks, and recent studies have demonstrated that small amounts of human-curated data can outperform larger datasets, challenging traditional data scaling laws. While LLM-based data quality rating systems offer a cost-effective alternative to human annotation, they often suffer from inaccuracies and biases, even in powerful models like GPT-4. In this work, we introduce DS2, a Diversity-aware Score curation method for Data Selection. By systematically modeling error patterns through a score transition matrix, DS2 corrects LLM-based scores and promotes diversity in the selected data samples. Our approach shows that a curated subset (just 3.3% of the original dataset) outperforms full-scale datasets (300k samples) across various machine-alignment benchmarks, and matches or surpasses human-aligned datasets such as LIMA with the same sample size (1k samples). These findings challenge conventional data scaling assumptions, highlighting that redundant, low-quality samples can degrade performance and reaffirming that "more can be less."

We report on the trapping of single rubidium atoms in large arrays of optical tweezers comprising up to 2088 sites in a cryogenic environment at 6 K. Our approach relies on the use of microscope objectives that are in-vacuum but at room temperature, in combination with windowless thermal shields into which the objectives are protruding to ensure a cryogenic environment for the trapped atoms. To achieve enough optical power for efficient trapping, we combine two lasers at slightly different wavelengths. We discuss the performance and limitations of our design. Finally, we demonstrate atom-by-atom rearrangement of an 828-atom target array using moving optical tweezers controlled by a field-programmable gate array.

Data selection is of great significance in pre-training large language models, given the variation in quality within the large-scale available training corpora. To achieve this, researchers are currently investigating the use of data influence to measure the importance of data instances, i.e., a high influence score indicates that incorporating this instance to the training set is likely to enhance the model performance. Consequently, they select the top-k instances with the highest scores. However, this approach has several limitations. (1) Computing the influence of all available data is time-consuming. (2) The selected data instances are not diverse enough, which may hinder the pre-trained model's ability to generalize effectively to various downstream tasks. In this paper, we introduce Quad, a data selection approach that considers both quality and diversity by using data influence to achieve state-of-the-art pre-training results. In particular, noting that attention layers capture extensive semantic details, we have adapted the accelerated iHVP computation methods for attention layers, enhancing our ability to evaluate the influence of data, i.e., its quality. For the diversity, Quad clusters the dataset into similar data instances within each cluster and diverse instances across different clusters. For each cluster, if we opt to select data from it, we take some samples to evaluate the influence to prevent processing all instances. To determine which clusters to select, we utilize the classic Multi-Armed Bandit method, treating each cluster as an arm. This approach favors clusters with highly influential instances (ensuring high quality) or clusters that have been selected less frequently (ensuring diversity), thereby well balancing between quality and diversity.

In large multimodal models (LMMs), the perception of non-language modalities (e.g., visual representations) is usually not on par with the large language models (LLMs)' powerful reasoning capabilities, deterring LMMs' performance on challenging downstream tasks. This weakness has been recently mitigated by replacing the vision encoder with a mixture-of-experts (MoE), which provides rich, multi-granularity, and diverse representations required by diverse downstream tasks. The performance of multimodal MoE largely depends on its router, which reweights and mixes the representations of different experts for each input. However, we find that the end-to-end trained router does not always produce the optimal routing weights for every test sample. To bridge the gap, we propose a novel and efficient method "Re-Routing in Test-Time(R2-T2) that locally optimizes the vector of routing weights in test-time by moving it toward those vectors of the correctly predicted samples in a neighborhood of the test sample. We propose three R2-T2 strategies with different optimization objectives and neighbor-search spaces. R2-T2 consistently and greatly improves state-of-the-art LMMs' performance on challenging benchmarks of diverse tasks, without training any base-model parameters.

In the past decade, advances in deep learning have resulted in breakthroughs in a variety of areas, including computer vision, natural language understanding, speech recognition, and reinforcement learning. Specialized, high-performing neural architectures are crucial to the success of deep learning in these areas. Neural architecture search (NAS), the process of automating the design of neural architectures for a given task, is an inevitable next step in automating machine learning and has already outpaced the best human-designed architectures on many tasks. In the past few years, research in NAS has been progressing rapidly, with over 1000 papers released since 2020 (Deng and Lindauer, 2021). In this survey, we provide an organized and comprehensive guide to neural architecture search. We give a taxonomy of search spaces, algorithms, and speedup techniques, and we discuss resources such as benchmarks, best practices, other surveys, and open-source libraries.

Recent advancements in Large Language Models (LLMs) such as GPT4 have displayed exceptional multi-modal capabilities in following open-ended instructions given images. However, the performance of these models heavily relies on design choices such as network structures, training data, and training strategies, and these choices have not been extensively discussed in the literature, making it difficult to quantify progress in this field. To address this issue, this paper presents a systematic and comprehensive study, quantitatively and qualitatively, on training such models. We implement over 20 variants with controlled settings. Concretely, for network structures, we compare different LLM backbones and model designs. For training data, we investigate the impact of data and sampling strategies. For instructions, we explore the influence of diversified prompts on the instruction-following ability of the trained models. For benchmarks, we contribute the first, to our best knowledge, comprehensive evaluation set including both image and video tasks through crowd-sourcing. Based on our findings, we present Lynx, which performs the most accurate multi-modal understanding while keeping the best multi-modal generation ability compared to existing open-sourced GPT4-style models.

Recent advances in Neural Architecture Search (NAS) which extract specialized hardware-aware configurations (a.k.a. "sub-networks") from a hardware-agnostic "super-network" have become increasingly popular. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still largely under-explored. For example, some recent network morphism techniques allow a super-network to be trained once and then have hardware-specific networks extracted from it as needed. These methods decouple the super-network training from the sub-network search and thus decrease the computational burden of specializing to different hardware platforms. We propose a comprehensive system that automatically and efficiently finds sub-networks from a pre-trained super-network that are optimized to different performance metrics and hardware configurations. By combining novel search tactics and algorithms with intelligent use of predictors, we significantly decrease the time needed to find optimal sub-networks from a given super-network. Further, our approach does not require the super-network to be refined for the target task a priori, thus allowing it to interface with any super-network. We demonstrate through extensive experiments that our system works seamlessly with existing state-of-the-art super-network training methods in multiple domains. Moreover, we show how novel search tactics paired with evolutionary algorithms can accelerate the search process for ResNet50, MobileNetV3 and Transformer while maintaining objective space Pareto front diversity and demonstrate an 8x faster search result than the state-of-the-art Bayesian optimization WeakNAS approach.

Generating diverse responses from large language models (LLMs) is crucial for applications such as planning/search and synthetic data generation, where diversity provides distinct answers across generations. Prior approaches rely on increasing temperature to increase diversity. However, contrary to popular belief, we show not only does this approach produce lower quality individual generations as temperature increases, but it depends on model's next-token probabilities being similar to the true distribution of answers. We propose , an alternative approach that uses the language model itself to partition the space into strata. At inference, a random stratum is selected and a sample drawn from within the strata. To measure diversity, we introduce CoverageQA, a dataset of underspecified questions with multiple equally plausible answers, and assess diversity by measuring KL Divergence between the output distribution and uniform distribution over valid ground truth answers. As computing probability per response/solution for proprietary models is infeasible, we measure recall on ground truth solutions. Our evaluation show using SimpleStrat achieves higher recall by 0.05 compared to GPT-4o and 0.36 average reduction in KL Divergence compared to Llama 3.

Recent advancements in integrating large language models (LLMs) with application programming interfaces (APIs) have gained significant interest in both academia and industry. These API-based agents, leveraging the strong autonomy and planning capabilities of LLMs, can efficiently solve problems requiring multi-step actions. However, their ability to handle multi-dimensional difficulty levels, diverse task types, and real-world demands through APIs remains unknown. In this paper, we introduce ShortcutsBench, a large-scale benchmark for the comprehensive evaluation of API-based agents in solving tasks with varying levels of difficulty, diverse task types, and real-world demands. ShortcutsBench includes a wealth of real APIs from Apple Inc.'s operating systems, refined user queries from shortcuts, human-annotated high-quality action sequences from shortcut developers, and accurate parameter filling values about primitive parameter types, enum parameter types, outputs from previous actions, and parameters that need to request necessary information from the system or user. Our extensive evaluation of agents built with 5 leading open-source (size >= 57B) and 4 closed-source LLMs (e.g. Gemini-1.5-Pro and GPT-3.5) reveals significant limitations in handling complex queries related to API selection, parameter filling, and requesting necessary information from systems and users. These findings highlight the challenges that API-based agents face in effectively fulfilling real and complex user queries. All datasets, code, and experimental results will be available at https://github.com/eachsheep/shortcutsbench.

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

Instruction tuning has emerged as the key in aligning large language models (LLMs) with specific task instructions, thereby mitigating the discrepancy between the next-token prediction objective and users' actual goals. To reduce the labor and time cost to collect or annotate data by humans, researchers start to explore the use of LLMs to generate instruction-aligned synthetic data. Recent works focus on generating diverse instructions and applying LLM to increase instruction complexity, often neglecting downstream use cases. It remains unclear how to tailor high-quality data to elicit better instruction-following abilities in different target instruction distributions and LLMs. To this end, we introduce CodecLM, a general framework for adaptively generating high-quality synthetic data for LLM alignment with different downstream instruction distributions and LLMs. Drawing on the Encode-Decode principles, we use LLMs as codecs to guide the data generation process. We first encode seed instructions into metadata, which are concise keywords generated on-the-fly to capture the target instruction distribution, and then decode metadata to create tailored instructions. We also introduce Self-Rubrics and Contrastive Filtering during decoding to tailor data-efficient samples. Extensive experiments on four open-domain instruction following benchmarks validate the effectiveness of CodecLM over the current state-of-the-arts.

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

This work focuses on leveraging and selecting from vast, unlabeled, open data to pre-fine-tune a pre-trained language model. The goal is to minimize the need for costly domain-specific data for subsequent fine-tuning while achieving desired performance levels. While many data selection algorithms have been designed for small-scale applications, rendering them unsuitable for our context, some emerging methods do cater to language data scales. However, they often prioritize data that aligns with the target distribution. While this strategy may be effective when training a model from scratch, it can yield limited results when the model has already been pre-trained on a different distribution. Differing from prior work, our key idea is to select data that nudges the pre-training distribution closer to the target distribution. We show the optimality of this approach for fine-tuning tasks under certain conditions. We demonstrate the efficacy of our methodology across a diverse array of tasks (NLU, NLG, zero-shot) with models up to 2.7B, showing that it consistently surpasses other selection methods. Moreover, our proposed method is significantly faster than existing techniques, scaling to millions of samples within a single GPU hour. Our code is open-sourced (Code repository: https://anonymous.4open.science/r/DV4LLM-D761/ ). While fine-tuning offers significant potential for enhancing performance across diverse tasks, its associated costs often limit its widespread adoption; with this work, we hope to lay the groundwork for cost-effective fine-tuning, making its benefits more accessible.

The centroid method is a simple approach for extractive multi-document summarization and many improvements to its pipeline have been proposed. We further refine it by adding a beam search process to the sentence selection and also a centroid estimation attention model that leads to improved results. We demonstrate this in several multi-document summarization datasets, including in a multilingual scenario.

Instruction tuning plays a critical role in aligning large language models (LLMs) with human preference. Despite the vast amount of open instruction datasets, naively training a LLM on all existing instructions may not be optimal and practical. To pinpoint the most beneficial datapoints, data assessment and selection methods have been proposed in the fields of natural language processing (NLP) and deep learning. However, under the context of instruction tuning, there still exists a gap in knowledge on what kind of data evaluation metrics can be employed and how they can be integrated into the selection mechanism. To bridge this gap, we present a comprehensive review on existing literature of data assessment and selection especially for instruction tuning of LLMs. We systematically categorize all applicable methods into quality-based, diversity-based, and importance-based ones where a unified, fine-grained taxonomy is structured. For each category, representative methods are elaborated to describe the landscape of relevant research. In addition, comparison between latest methods is conducted on their officially reported results to provide in-depth discussions on their limitations. Finally, we summarize the open challenges and propose the promosing avenues for future studies. All related contents are available at https://github.com/yuleiqin/fantastic-data-engineering.

Code Large Language Models (Code LLMs) have demonstrated outstanding performance in code-related tasks. Several instruction tuning approaches have been proposed to boost the code generation performance of pre-trained Code LLMs. In this paper, we introduce a diverse instruction model (DolphCoder) with self-evaluating for code generation. It learns diverse instruction targets and combines a code evaluation objective to enhance its code generation ability. Our model achieves superior performance on the HumanEval and MBPP benchmarks, demonstrating new insights for future code instruction tuning work. Our key findings are: (1) Augmenting more diverse responses with distinct reasoning paths increases the code capability of LLMs. (2) Improving one's ability to evaluate the correctness of code solutions also enhances their ability to create it.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

Recent advancements in large language models (LLMs) integrated with external tools and APIs have successfully addressed complex tasks by using in-context learning or fine-tuning. Despite this progress, the vast scale of tool retrieval remains challenging due to stringent input length constraints. In response, we propose a pre-retrieval strategy from an extensive repository, effectively framing the problem as the massive tool retrieval (MTR) task. We introduce the MTRB (massive tool retrieval benchmark) to evaluate real-world tool-augmented LLM scenarios with a large number of tools. This benchmark is designed for low-resource scenarios and includes a diverse collection of tools with descriptions refined for consistency and clarity. It consists of three subsets, each containing 90 test samples and 10 training samples. To handle the low-resource MTR task, we raise a new query-tool alignment (QTA) framework leverages LLMs to enhance query-tool alignment by rewriting user queries through ranking functions and the direct preference optimization (DPO) method. This approach consistently outperforms existing state-of-the-art models in top-5 and top-10 retrieval tasks across the MTRB benchmark, with improvements up to 93.28% based on the metric Sufficiency@k, which measures the adequacy of tool retrieval within the first k results. Furthermore, ablation studies validate the efficacy of our framework, highlighting its capacity to optimize performance even with limited annotated samples. Specifically, our framework achieves up to 78.53% performance improvement in Sufficiency@k with just a single annotated sample. Additionally, QTA exhibits strong cross-dataset generalizability, emphasizing its potential for real-world applications.

The advent of Large Language Models (LLMs) has paved the way for AI search engines, e.g., SearchGPT, showcasing a new paradigm in human-internet interaction. However, most current AI search engines are limited to text-only settings, neglecting the multimodal user queries and the text-image interleaved nature of website information. Recently, Large Multimodal Models (LMMs) have made impressive strides. Yet, whether they can function as AI search engines remains under-explored, leaving the potential of LMMs in multimodal search an open question. To this end, we first design a delicate pipeline, MMSearch-Engine, to empower any LMMs with multimodal search capabilities. On top of this, we introduce MMSearch, a comprehensive evaluation benchmark to assess the multimodal search performance of LMMs. The curated dataset contains 300 manually collected instances spanning 14 subfields, which involves no overlap with the current LMMs' training data, ensuring the correct answer can only be obtained within searching. By using MMSearch-Engine, the LMMs are evaluated by performing three individual tasks (requery, rerank, and summarization), and one challenging end-to-end task with a complete searching process. We conduct extensive experiments on closed-source and open-source LMMs. Among all tested models, GPT-4o with MMSearch-Engine achieves the best results, which surpasses the commercial product, Perplexity Pro, in the end-to-end task, demonstrating the effectiveness of our proposed pipeline. We further present error analysis to unveil current LMMs still struggle to fully grasp the multimodal search tasks, and conduct ablation study to indicate the potential of scaling test-time computation for AI search engine. We hope MMSearch may provide unique insights to guide the future development of multimodal AI search engine. Project Page: https://mmsearch.github.io

Recent advances in NLP and information retrieval have given rise to a diverse set of question answering tasks that are of different formats (e.g., extractive, abstractive), require different model architectures (e.g., generative, discriminative), and setups (e.g., with or without retrieval). Despite having a large number of powerful, specialized QA pipelines (which we refer to as Skills) that consider a single domain, model or setup, there exists no framework where users can easily explore and compare such pipelines and can extend them according to their needs. To address this issue, we present UKP-SQUARE, an extensible online QA platform for researchers which allows users to query and analyze a large collection of modern Skills via a user-friendly web interface and integrated behavioural tests. In addition, QA researchers can develop, manage, and share their custom Skills using our microservices that support a wide range of models (Transformers, Adapters, ONNX), datastores and retrieval techniques (e.g., sparse and dense). UKP-SQUARE is available on https://square.ukp-lab.de.

The development and evaluation of Large Language Models (LLMs) has primarily focused on their task-solving capabilities, with recent models even surpassing human performance in some areas. However, this focus often neglects whether machine-generated language matches the human level of diversity, in terms of vocabulary choice, syntactic construction, and expression of meaning, raising questions about whether the fundamentals of language generation have been fully addressed. This paper emphasizes the importance of examining the preservation of human linguistic richness by language models, given the concerning surge in online content produced or aided by LLMs. We propose a comprehensive framework for evaluating LLMs from various linguistic diversity perspectives including lexical, syntactic, and semantic dimensions. Using this framework, we benchmark several state-of-the-art LLMs across all diversity dimensions, and conduct an in-depth case study for syntactic diversity. Finally, we analyze how different development and deployment choices impact the linguistic diversity of LLM outputs.

Existing information retrieval (IR) models often assume a homogeneous format, limiting their applicability to diverse user needs, such as searching for images with text descriptions, searching for a news article with a headline image, or finding a similar photo with a query image. To approach such different information-seeking demands, we introduce UniIR, a unified instruction-guided multimodal retriever capable of handling eight distinct retrieval tasks across modalities. UniIR, a single retrieval system jointly trained on ten diverse multimodal-IR datasets, interprets user instructions to execute various retrieval tasks, demonstrating robust performance across existing datasets and zero-shot generalization to new tasks. Our experiments highlight that multi-task training and instruction tuning are keys to UniIR's generalization ability. Additionally, we construct the M-BEIR, a multimodal retrieval benchmark with comprehensive results, to standardize the evaluation of universal multimodal information retrieval.

We present Pangu Ultra, a Large Language Model (LLM) with 135 billion parameters and dense Transformer modules trained on Ascend Neural Processing Units (NPUs). Although the field of LLM has been witnessing unprecedented advances in pushing the scale and capability of LLM in recent years, training such a large-scale model still involves significant optimization and system challenges. To stabilize the training process, we propose depth-scaled sandwich normalization, which effectively eliminates loss spikes during the training process of deep models. We pre-train our model on 13.2 trillion diverse and high-quality tokens and further enhance its reasoning capabilities during post-training. To perform such large-scale training efficiently, we utilize 8,192 Ascend NPUs with a series of system optimizations. Evaluations on multiple diverse benchmarks indicate that Pangu Ultra significantly advances the state-of-the-art capabilities of dense LLMs such as Llama 405B and Mistral Large 2, and even achieves competitive results with DeepSeek-R1, whose sparse model structure contains much more parameters. Our exploration demonstrates that Ascend NPUs are capable of efficiently and effectively training dense models with more than 100 billion parameters. Our model and system will be available for our commercial customers.

Recent developments of multi-modal large language models have demonstrated its strong ability in solving vision-language tasks. In this paper, we focus on the product understanding task, which plays an essential role in enhancing online shopping experience. Product understanding task includes a variety of sub-tasks, which require models to respond diverse queries based on multi-modal product information. Traditional methods design distinct model architectures for each sub-task. On the contrary, we present PUMGPT, a large vision-language model aims at unifying all product understanding tasks under a singular model structure. To bridge the gap between vision and text representations, we propose Layer-wise Adapters (LA), an approach that provides enhanced alignment with fewer visual tokens and enables parameter-efficient fine-tuning. Moreover, the inherent parameter-efficient fine-tuning ability allows PUMGPT to be readily adapted to new product understanding tasks and emerging products. We design instruction templates to generate diverse product instruction datasets. Simultaneously, we utilize open-domain datasets during training to improve the performance of PUMGPT and its generalization ability. Through extensive evaluations, PUMGPT demonstrates its superior performance across multiple product understanding tasks, including product captioning, category question-answering, attribute extraction, attribute question-answering, and even free-form question-answering about products.

The growing number of parameter-efficient adaptations of a base large language model (LLM) calls for studying whether we can reuse such trained adapters to improve performance for new tasks. We study how to best build a library of adapters given multi-task data and devise techniques for both zero-shot and supervised task generalization through routing in such library. We benchmark existing approaches to build this library and introduce model-based clustering, MBC, a method that groups tasks based on the similarity of their adapter parameters, indirectly optimizing for transfer across the multi-task dataset. To re-use the library, we present a novel zero-shot routing mechanism, Arrow, which enables dynamic selection of the most relevant adapters for new inputs without the need for retraining. We experiment with several LLMs, such as Phi-2 and Mistral, on a wide array of held-out tasks, verifying that MBC-based adapters and Arrow routing lead to superior generalization to new tasks. We make steps towards creating modular, adaptable LLMs that can match or outperform traditional joint training.

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.

We study the problem of retrieval with instructions, where users of a retrieval system explicitly describe their intent along with their queries. We aim to develop a general-purpose task-aware retrieval system using multi-task instruction tuning, which can follow human-written instructions to find the best documents for a given query. We introduce the first large-scale collection of approximately 40 retrieval datasets with instructions, BERRI, and present TART, a multi-task retrieval system trained on BERRI with instructions. TART shows strong capabilities to adapt to a new retrieval task via instructions and advances the state of the art on two zero-shot retrieval benchmarks, BEIR and LOTTE, outperforming models up to three times larger. We further introduce a new evaluation setup, X^2-Retrieval to better reflect real-world scenarios, where diverse domains and tasks are pooled and a system needs to find documents aligning users' intents. In this setup, TART significantly outperforms competitive baselines, further demonstrating the effectiveness of guiding retrieval with instructions.

The rise of Large Language Models (LLMs) has accentuated the need for diverse, high-quality pre-training data. Synthetic data emerges as a viable solution to the challenges of data scarcity and inaccessibility. While previous literature has focused predominantly on the quality and quantity of real data, our work enables the measurement of diversity in synthetic data and explores its impact on LLM performance. We study the downstream effects of synthetic data diversity during both the pre-training and fine-tuning stages by introducing a new diversity metric, LLM cluster-agent, designed to evaluate the diversity of synthetic datasets. Through a series of controlled experiments with models of 350M and 1.4B parameters, we demonstrate that the proposed cluster-based LLM scoring of diversity correlates positively with both pre-training and supervised fine-tuning performance. Our findings also reveal that synthetic data diversity in pre-training affects supervised fine-tuning more significantly than pre-training itself, even for smaller models. We hope this study advances our understanding of the optimal use of synthetic data in LLM training and opens new avenues for efficient data generation processes.

We present Mr. TyDi, a multi-lingual benchmark dataset for mono-lingual retrieval in eleven typologically diverse languages, designed to evaluate ranking with learned dense representations. The goal of this resource is to spur research in dense retrieval techniques in non-English languages, motivated by recent observations that existing techniques for representation learning perform poorly when applied to out-of-distribution data. As a starting point, we provide zero-shot baselines for this new dataset based on a multi-lingual adaptation of DPR that we call "mDPR". Experiments show that although the effectiveness of mDPR is much lower than BM25, dense representations nevertheless appear to provide valuable relevance signals, improving BM25 results in sparse-dense hybrids. In addition to analyses of our results, we also discuss future challenges and present a research agenda in multi-lingual dense retrieval. Mr. TyDi can be downloaded at https://github.com/castorini/mr.tydi.

We present the Red Unknowns: Bright Infrared Extragalactic Survey (RUBIES), providing JWST/NIRSpec spectroscopy of red sources selected across ~150 arcmin^2 from public JWST/NIRCam imaging in the UDS and EGS fields. RUBIES novel observing strategy offers a well-quantified selection function: the survey is optimised to reach high (>70%) completeness for bright and red (F150W-F444W>2) sources that are very rare. To place these rare sources in context, we simultaneously observe a reference sample of the 2<z<7 galaxy population, sampling sources at a rate that is inversely proportional to their number density in the 3D space of F444W magnitude, F150W-F444W colour, and photometric redshift. In total, RUBIES observes ~3000 targets across 1<z_{phot}<10 with both the PRISM and G395M dispersers, and ~1500 targets at z_{phot}>3 using only the G395M disperser. The RUBIES data reveal a highly diverse population of red sources that span a broad redshift range (z_{spec}sim1-9), with photometric redshift scatter and outlier fraction that are 3 times higher than for similarly bright sources that are less red. This diversity is not apparent from the photometric SEDs. Only spectroscopy reveals that the SEDs encompass a mixture of galaxies with dust-obscured star formation, extreme line emission, a lack of star formation indicating early quenching, and luminous active galactic nuclei. As a first demonstration of our broader selection function we compare the stellar masses and rest-frame U-V colours of the red sources and our reference sample: red sources are typically more massive (M_*sim10^{10-11.5} M_odot) across all redshifts. However, we find that the most massive systems span a wide range in U-V colour. We describe our data reduction procedure and data quality, and publicly release the reduced RUBIES data and vetted spectroscopic redshifts of the first half of the survey through the DJA.

Instruction Tuning has the potential to stimulate or enhance specific capabilities of large language models (LLMs). However, achieving the right balance of data is crucial to prevent catastrophic forgetting and interference between tasks. To address these limitations and enhance training flexibility, we propose the Mixture-of-LoRAs (MoA) architecture which is a novel and parameter-efficient tuning method designed for multi-task learning with LLMs. In this paper, we start by individually training multiple domain-specific LoRA modules using corresponding supervised corpus data. These LoRA modules can be aligned with the expert design principles observed in Mixture-of-Experts (MoE). Subsequently, we combine the multiple LoRAs using an explicit routing strategy and introduce domain labels to facilitate multi-task learning, which help prevent interference between tasks and ultimately enhances the performance of each individual task. Furthermore, each LoRA model can be iteratively adapted to a new domain, allowing for quick domain-specific adaptation. Experiments on diverse tasks demonstrate superior and robust performance, which can further promote the wide application of domain-specific LLMs.

Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar selection, ES). Despite their shared objective, these have evolved rather independently, with IO recently receiving more research attention. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and ES techniques, both isolation and combination, on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars consistently improves performance over IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with ES strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe synergy between ES and IO, with optimal combinations surpassing individual contributions. We conclude that studying exemplar selection as a standalone method and its optimal combination with instruction optimization remains a crucial aspect of APO and deserves greater consideration in future research, even in the era of highly capable instruction-following models.

The exponential growth of astronomical literature poses significant challenges for researchers navigating and synthesizing general insights or even domain-specific knowledge. We present Pathfinder, a machine learning framework designed to enable literature review and knowledge discovery in astronomy, focusing on semantic searching with natural language instead of syntactic searches with keywords. Utilizing state-of-the-art large language models (LLMs) and a corpus of 350,000 peer-reviewed papers from the Astrophysics Data System (ADS), Pathfinder offers an innovative approach to scientific inquiry and literature exploration. Our framework couples advanced retrieval techniques with LLM-based synthesis to search astronomical literature by semantic context as a complement to currently existing methods that use keywords or citation graphs. It addresses complexities of jargon, named entities, and temporal aspects through time-based and citation-based weighting schemes. We demonstrate the tool's versatility through case studies, showcasing its application in various research scenarios. The system's performance is evaluated using custom benchmarks, including single-paper and multi-paper tasks. Beyond literature review, Pathfinder offers unique capabilities for reformatting answers in ways that are accessible to various audiences (e.g. in a different language or as simplified text), visualizing research landscapes, and tracking the impact of observatories and methodologies. This tool represents a significant advancement in applying AI to astronomical research, aiding researchers at all career stages in navigating modern astronomy literature.

In various natural language processing tasks, passage retrieval and passage re-ranking are two key procedures in finding and ranking relevant information. Since both the two procedures contribute to the final performance, it is important to jointly optimize them in order to achieve mutual improvement. In this paper, we propose a novel joint training approach for dense passage retrieval and passage re-ranking. A major contribution is that we introduce the dynamic listwise distillation, where we design a unified listwise training approach for both the retriever and the re-ranker. During the dynamic distillation, the retriever and the re-ranker can be adaptively improved according to each other's relevance information. We also propose a hybrid data augmentation strategy to construct diverse training instances for listwise training approach. Extensive experiments show the effectiveness of our approach on both MSMARCO and Natural Questions datasets. Our code is available at https://github.com/PaddlePaddle/RocketQA.

There is an increasing need to bring machine learning to a wide diversity of hardware devices. Current frameworks rely on vendor-specific operator libraries and optimize for a narrow range of server-class GPUs. Deploying workloads to new platforms -- such as mobile phones, embedded devices, and accelerators (e.g., FPGAs, ASICs) -- requires significant manual effort. We propose TVM, a compiler that exposes graph-level and operator-level optimizations to provide performance portability to deep learning workloads across diverse hardware back-ends. TVM solves optimization challenges specific to deep learning, such as high-level operator fusion, mapping to arbitrary hardware primitives, and memory latency hiding. It also automates optimization of low-level programs to hardware characteristics by employing a novel, learning-based cost modeling method for rapid exploration of code optimizations. Experimental results show that TVM delivers performance across hardware back-ends that are competitive with state-of-the-art, hand-tuned libraries for low-power CPU, mobile GPU, and server-class GPUs. We also demonstrate TVM's ability to target new accelerator back-ends, such as the FPGA-based generic deep learning accelerator. The system is open sourced and in production use inside several major companies.

Deep prompt tuning (DPT) has gained great success in most natural language processing~(NLP) tasks. However, it is not well-investigated in dense retrieval where fine-tuning~(FT) still dominates. When deploying multiple retrieval tasks using the same backbone model~(e.g., RoBERTa), FT-based methods are unfriendly in terms of deployment cost: each new retrieval model needs to repeatedly deploy the backbone model without reuse. To reduce the deployment cost in such a scenario, this work investigates applying DPT in dense retrieval. The challenge is that directly applying DPT in dense retrieval largely underperforms FT methods. To compensate for the performance drop, we propose two model-agnostic and task-agnostic strategies for DPT-based retrievers, namely retrieval-oriented intermediate pretraining and unified negative mining, as a general approach that could be compatible with any pre-trained language model and retrieval task. The experimental results show that the proposed method (called DPTDR) outperforms previous state-of-the-art models on both MS-MARCO and Natural Questions. We also conduct ablation studies to examine the effectiveness of each strategy in DPTDR. We believe this work facilitates the industry, as it saves enormous efforts and costs of deployment and increases the utility of computing resources. Our code is available at https://github.com/tangzhy/DPTDR.

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

Query Reformulation (QR) is a set of techniques used to transform a user's original search query to a text that better aligns with the user's intent and improves their search experience. Recently, zero-shot QR has been a promising approach due to its ability to exploit knowledge inherent in large language models. Inspired by the success of ensemble prompting strategies which have benefited other tasks, we investigate if they can improve query reformulation. In this context, we propose two ensemble-based prompting techniques, GenQREnsemble and GenQRFusion which leverage paraphrases of a zero-shot instruction to generate multiple sets of keywords to improve retrieval performance ultimately. We further introduce their post-retrieval variants to incorporate relevance feedback from a variety of sources, including an oracle simulating a human user and a "critic" LLM. We demonstrate that an ensemble of query reformulations can improve retrieval effectiveness by up to 18% on nDCG@10 in pre-retrieval settings and 9% on post-retrieval settings on multiple benchmarks, outperforming all previously reported SOTA results. We perform subsequent analyses to investigate the effects of feedback documents, incorporate domain-specific instructions, filter reformulations, and generate fluent reformulations that might be more beneficial to human searchers. Together, the techniques and the results presented in this paper establish a new state of the art in automated query reformulation for retrieval and suggest promising directions for future research.

Information retrieval is indispensable for today's Internet applications, yet traditional semantic matching techniques often fall short in capturing the fine-grained cross-modal interactions required for complex queries. Although late-fusion two-tower architectures attempt to bridge this gap by independently encoding visual and textual data before merging them at a high level, they frequently overlook the subtle interplay essential for comprehensive understanding. In this work, we rigorously assess these limitations and introduce a unified retrieval framework that fuses visual and textual cues from the ground up, enabling early cross-modal interactions for enhancing context interpretation. Through a two-stage training process--comprising post-training adaptation followed by instruction tuning--we adapt MLLMs as retrievers using a simple one-tower architecture. Our approach outperforms conventional methods across diverse retrieval scenarios, particularly when processing complex multi-modal inputs. Notably, the joint fusion encoder yields greater improvements on tasks that require modality fusion compared to those that do not, underscoring the transformative potential of early integration strategies and pointing toward a promising direction for contextually aware and effective information retrieval.

Recent advancements in 3D Large Language Models (3DLLMs) have highlighted their potential in building general-purpose agents in the 3D real world, yet challenges remain due to the lack of high-quality robust instruction-following data, leading to limited discriminative power and generalization of 3DLLMs. In this paper, we introduce Robin3D, a powerful 3DLLM trained on large-scale instruction-following data generated by our novel data engine, Robust Instruction Generation (RIG) engine. RIG generates two key instruction data: 1) the Adversarial Instruction-following data, which features mixed negative and positive samples to enhance the model's discriminative understanding. 2) the Diverse Instruction-following data, which contains various instruction styles to enhance model's generalization. As a result, we construct 1 million instruction-following data, consisting of 344K Adversarial samples, 508K Diverse samples, and 165K benchmark training set samples. To better handle these complex instructions, Robin3D first incorporates Relation-Augmented Projector to enhance spatial understanding, and then strengthens the object referring and grounding ability through ID-Feature Bonding. Robin3D consistently outperforms previous methods across five widely-used 3D multimodal learning benchmarks, without the need for task-specific fine-tuning. Notably, we achieve a 7.8\% improvement in the grounding task (Multi3DRefer) and a 6.9\% improvement in the captioning task (Scan2Cap).

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

Various techniques have been developed in recent years to improve dense retrieval (DR), such as unsupervised contrastive learning and pseudo-query generation. Existing DRs, however, often suffer from effectiveness tradeoffs between supervised and zero-shot retrieval, which some argue was due to the limited model capacity. We contradict this hypothesis and show that a generalizable DR can be trained to achieve high accuracy in both supervised and zero-shot retrieval without increasing model size. In particular, we systematically examine the contrastive learning of DRs, under the framework of Data Augmentation (DA). Our study shows that common DA practices such as query augmentation with generative models and pseudo-relevance label creation using a cross-encoder, are often inefficient and sub-optimal. We hence propose a new DA approach with diverse queries and sources of supervision to progressively train a generalizable DR. As a result, DRAGON, our dense retriever trained with diverse augmentation, is the first BERT-base-sized DR to achieve state-of-the-art effectiveness in both supervised and zero-shot evaluations and even competes with models using more complex late interaction (ColBERTv2 and SPLADE++).

Large language models (LLMs) have been recently leveraged as training data generators for various natural language processing (NLP) tasks. While previous research has explored different approaches to training models using generated data, they generally rely on simple class-conditional prompts, which may limit the diversity of the generated data and inherit systematic biases of LLM. Thus, we investigate training data generation with diversely attributed prompts (e.g., specifying attributes like length and style), which have the potential to yield diverse and attributed generated data. Our investigation focuses on datasets with high cardinality and diverse domains, wherein we demonstrate that attributed prompts outperform simple class-conditional prompts in terms of the resulting model's performance. Additionally, we present a comprehensive empirical study on data generation encompassing vital aspects like bias, diversity, and efficiency, and highlight three key observations: firstly, synthetic datasets generated by simple prompts exhibit significant biases, such as regional bias; secondly, attribute diversity plays a pivotal role in enhancing model performance; lastly, attributed prompts achieve the performance of simple class-conditional prompts while utilizing only 5\% of the querying cost of ChatGPT associated with the latter. We release the generated dataset and used prompts to facilitate future research. The data and code will be available on https://github.com/yueyu1030/AttrPrompt.

The Airbnb search system grapples with many unique challenges as it continues to evolve. We oversee a marketplace that is nuanced by geography, diversity of homes, and guests with a variety of preferences. Crafting an efficient search system that can accommodate diverse guest needs, while showcasing relevant homes lies at the heart of Airbnb's success. Airbnb search has many challenges that parallel other recommendation and search systems but it has a unique information retrieval problem, upstream of ranking, called location retrieval. It requires defining a topological map area that is relevant to the searched query for homes listing retrieval. The purpose of this paper is to demonstrate the methodology, challenges, and impact of building a machine learning based location retrieval product from the ground up. Despite the lack of suitable, prevalent machine learning based approaches, we tackle cold start, generalization, differentiation and algorithmic bias. We detail the efficacy of heuristics, statistics, machine learning, and reinforcement learning approaches to solve these challenges, particularly for systems that are often unexplored by current literature.

Structured Natural Language Processing (XNLP) is an important subset of NLP that entails understanding the underlying semantic or syntactic structure of texts, which serves as a foundational component for many downstream applications. Despite certain recent efforts to explore universal solutions for specific categories of XNLP tasks, a comprehensive and effective approach for unifying all XNLP tasks long remains underdeveloped. In the meanwhile, while XNLP demonstration systems are vital for researchers exploring various XNLP tasks, existing platforms can be limited to, e.g., supporting few XNLP tasks, lacking interactivity and universalness. To this end, we propose an advanced XNLP demonstration platform, where we propose leveraging LLM to achieve universal XNLP, with one model for all with high generalizability. Overall, our system advances in multiple aspects, including universal XNLP modeling, high performance, interpretability, scalability, and interactivity, providing a unified platform for exploring diverse XNLP tasks in the community. XNLP is online: https://xnlp.haofei.vip

Large Language Models (LLMs) hold immense potential to generate synthetic data of high quality and utility, which has numerous applications from downstream model training to practical data utilisation. However, contemporary models, despite their impressive capacities, consistently struggle to produce both coherent and diverse data. To address the coherency issue, we introduce contrastive expert guidance, where the difference between the logit distributions of fine-tuned and base language models is emphasised to ensure domain adherence. In order to ensure diversity, we utilise existing real and synthetic examples as negative prompts to the model. We deem this dual-pronged approach to logit reshaping as STEER: Semantic Text Enhancement via Embedding Repositioning. STEER operates at inference-time and systematically guides the LLMs to strike a balance between adherence to the data distribution (ensuring semantic fidelity) and deviation from prior synthetic examples or existing real datasets (ensuring diversity and authenticity). This delicate balancing act is achieved by dynamically moving towards or away from chosen representations in the latent space. STEER demonstrates improved performance over previous synthetic data generation techniques, exhibiting better balance between data diversity and coherency across three distinct tasks: hypothesis generation, toxic and non-toxic comment generation, and commonsense reasoning task generation. We demonstrate how STEER allows for fine-tuned control over the diversity-coherency trade-off via its hyperparameters, highlighting its versatility.

In Multimodal Large Language Models (MLLMs), a visual projector plays a crucial role in bridging pre-trained vision encoders with LLMs, enabling profound visual understanding while harnessing the LLMs' robust capabilities. Despite the importance of the visual projector, it has been relatively less explored. In this study, we first identify two essential projector properties: (i) flexibility in managing the number of visual tokens, crucial for MLLMs' overall efficiency, and (ii) preservation of local context from visual features, vital for spatial understanding. Based on these findings, we propose a novel projector design that is both flexible and locality-enhanced, effectively satisfying the two desirable properties. Additionally, we present comprehensive strategies to effectively utilize multiple and multifaceted instruction datasets. Through extensive experiments, we examine the impact of individual design choices. Finally, our proposed MLLM, Honeybee, remarkably outperforms previous state-of-the-art methods across various benchmarks, including MME, MMBench, SEED-Bench, and LLaVA-Bench, achieving significantly higher efficiency. Code and models are available at https://github.com/kakaobrain/honeybee.

Large Language Models (LLMs) have emerged as powerful tools for natural language processing tasks, revolutionizing the field with their ability to understand and generate human-like text. As the demand for more sophisticated LLMs continues to grow, there is a pressing need to address the computational challenges associated with their scale and complexity. This paper presents a comprehensive survey on hardware accelerators designed to enhance the performance and energy efficiency of Large Language Models. By examining a diverse range of accelerators, including GPUs, FPGAs, and custom-designed architectures, we explore the landscape of hardware solutions tailored to meet the unique computational demands of LLMs. The survey encompasses an in-depth analysis of architecture, performance metrics, and energy efficiency considerations, providing valuable insights for researchers, engineers, and decision-makers aiming to optimize the deployment of LLMs in real-world applications.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

State-of-the-art retrieval models typically address a straightforward search scenario, where retrieval tasks are fixed (e.g., finding a passage to answer a specific question) and only a single modality is supported for both queries and retrieved results. This paper introduces techniques for advancing information retrieval with multimodal large language models (MLLMs), enabling a broader search scenario, termed universal multimodal retrieval, where multiple modalities and diverse retrieval tasks are accommodated. To this end, we first study fine-tuning an MLLM as a bi-encoder retriever on 10 datasets with 16 retrieval tasks. Our empirical results show that the fine-tuned MLLM retriever is capable of understanding challenging queries, composed of both text and image, but underperforms a smaller CLIP retriever in cross-modal retrieval tasks due to modality bias from MLLMs. To address the issue, we propose modality-aware hard negative mining to mitigate the modality bias exhibited by MLLM retrievers. Second, we propose to continually fine-tune the universal multimodal retriever to enhance its text retrieval capability while maintaining multimodal retrieval capability. As a result, our model, MM-Embed, achieves state-of-the-art performance on the multimodal retrieval benchmark M-BEIR, which spans multiple domains and tasks, while also surpassing the state-of-the-art text retrieval model, NV-Embed-v1, on MTEB retrieval benchmark. Finally, we explore to prompt the off-the-shelf MLLMs as the zero-shot rerankers to refine the ranking of the candidates from the multimodal retriever. We find that through prompt-and-reranking, MLLMs can further improve multimodal retrieval when the user queries (e.g., text-image composed queries) are more complex and challenging to understand. These findings also pave the way to advance universal multimodal retrieval in the future.

Large language models (LLMs) have the remarkable ability to solve new tasks with just a few examples, but they need access to the right tools. Retrieval Augmented Generation (RAG) addresses this problem by retrieving a list of relevant tools for a given task. However, RAG's tool retrieval step requires all the required information to be explicitly present in the query. This is a limitation, as semantic search, the widely adopted tool retrieval method, can fail when the query is incomplete or lacks context. To address this limitation, we propose Context Tuning for RAG, which employs a smart context retrieval system to fetch relevant information that improves both tool retrieval and plan generation. Our lightweight context retrieval model uses numerical, categorical, and habitual usage signals to retrieve and rank context items. Our empirical results demonstrate that context tuning significantly enhances semantic search, achieving a 3.5-fold and 1.5-fold improvement in Recall@K for context retrieval and tool retrieval tasks respectively, and resulting in an 11.6% increase in LLM-based planner accuracy. Additionally, we show that our proposed lightweight model using Reciprocal Rank Fusion (RRF) with LambdaMART outperforms GPT-4 based retrieval. Moreover, we observe context augmentation at plan generation, even after tool retrieval, reduces hallucination.

Scientific figure captioning is a complex task that requires generating contextually appropriate descriptions of visual content. However, existing methods often fall short by utilizing incomplete information, treating the task solely as either an image-to-text or text summarization problem. This limitation hinders the generation of high-quality captions that fully capture the necessary details. Moreover, existing data sourced from arXiv papers contain low-quality captions, posing significant challenges for training large language models (LLMs). In this paper, we introduce a framework called Multi-LLM Collaborative Figure Caption Generation (MLBCAP) to address these challenges by leveraging specialized LLMs for distinct sub-tasks. Our approach unfolds in three key modules: (Quality Assessment) We utilize multimodal LLMs to assess the quality of training data, enabling the filtration of low-quality captions. (Diverse Caption Generation) We then employ a strategy of fine-tuning/prompting multiple LLMs on the captioning task to generate candidate captions. (Judgment) Lastly, we prompt a prominent LLM to select the highest quality caption from the candidates, followed by refining any remaining inaccuracies. Human evaluations demonstrate that informative captions produced by our approach rank better than human-written captions, highlighting its effectiveness. Our code is available at https://github.com/teamreboott/MLBCAP

Large Language Models (LLMs) have demonstrated remarkable success as general-purpose task solvers across various fields, including NLP, healthcare, finance, and law. However, their capabilities remain limited when addressing domain-specific problems, particularly in downstream NLP tasks. Research has shown that models fine-tuned on instruction-based downstream NLP datasets outperform those that are not fine-tuned. While most efforts in this area have primarily focused on resource-rich languages like English and broad domains, little attention has been given to multilingual settings and specific domains. To address this gap, this study focuses on developing a specialized LLM, LlamaLens, for analyzing news and social media content in a multilingual context. To the best of our knowledge, this is the first attempt to tackle both domain specificity and multilinguality, with a particular focus on news and social media. Our experimental setup includes 19 tasks, represented by 52 datasets covering Arabic, English, and Hindi. We demonstrate that LlamaLens outperforms the current state-of-the-art (SOTA) on 16 testing sets, and achieves comparable performance on 10 sets. We make the models and resources publicly available for the research community.(https://huggingface.co/QCRI)

Retrieval-Augmented Generation (RAG) aims to enhance large language models (LLMs) to generate more accurate and reliable answers with the help of the retrieved context from external knowledge sources, thereby reducing the incidence of hallucinations. Despite the advancements, evaluating these systems remains a crucial research area due to the following issues: (1) Limited data diversity: The insufficient diversity of knowledge sources and query types constrains the applicability of RAG systems; (2) Obscure problems location: Existing evaluation methods have difficulty in locating the stage of the RAG pipeline where problems occur; (3) Unstable retrieval evaluation: These methods often fail to effectively assess retrieval performance, particularly when the chunking strategy changes. To tackle these challenges, we propose a Comprehensive Full-chain Evaluation (CoFE-RAG) framework to facilitate thorough evaluation across the entire RAG pipeline, including chunking, retrieval, reranking, and generation. To effectively evaluate the first three phases, we introduce multi-granularity keywords, including coarse-grained and fine-grained keywords, to assess the retrieved context instead of relying on the annotation of golden chunks. Moreover, we release a holistic benchmark dataset tailored for diverse data scenarios covering a wide range of document formats and query types. We demonstrate the utility of the CoFE-RAG framework by conducting experiments to evaluate each stage of RAG systems. Our evaluation method provides unique insights into the effectiveness of RAG systems in handling diverse data scenarios, offering a more nuanced understanding of their capabilities and limitations.

Despite the substantial success of Information Retrieval (IR) in various NLP tasks, most IR systems predominantly handle queries and corpora in natural language, neglecting the domain of code retrieval. Code retrieval is critically important yet remains under-explored, with existing methods and benchmarks inadequately representing the diversity of code in various domains and tasks. Addressing this gap, we present \name (Code Information Retrieval Benchmark), a robust and comprehensive benchmark specifically designed to assess code retrieval capabilities. \name comprises ten meticulously curated code datasets, spanning eight distinctive retrieval tasks across seven diverse domains. We first discuss the construction of \name and its diverse dataset composition. Further, we evaluate nine widely used retrieval models using \name, uncovering significant difficulties in performing code retrieval tasks even with state-of-the-art systems. To facilitate easy adoption and integration within existing research workflows, \name has been developed as a user-friendly Python framework, readily installable via pip. It shares same data schema as other popular benchmarks like MTEB and BEIR, enabling seamless cross-benchmark evaluations. Through \name, we aim to invigorate research in the code retrieval domain, providing a versatile benchmarking tool that encourages further development and exploration of code retrieval systems\url{ https://github.com/CoIR-team/coir}.

In today's era, where large language models (LLMs) are integrated into numerous real-world applications, ensuring their safety and robustness is crucial for responsible AI usage. Automated red-teaming methods play a key role in this process by generating adversarial attacks to identify and mitigate potential vulnerabilities in these models. However, existing methods often struggle with slow performance, limited categorical diversity, and high resource demands. While Rainbow Teaming, a recent approach, addresses the diversity challenge by framing adversarial prompt generation as a quality-diversity search, it remains slow and requires a large fine-tuned mutator for optimal performance. To overcome these limitations, we propose Ferret, a novel approach that builds upon Rainbow Teaming by generating multiple adversarial prompt mutations per iteration and using a scoring function to rank and select the most effective adversarial prompt. We explore various scoring functions, including reward models, Llama Guard, and LLM-as-a-judge, to rank adversarial mutations based on their potential harm to improve the efficiency of the search for harmful mutations. Our results demonstrate that Ferret, utilizing a reward model as a scoring function, improves the overall attack success rate (ASR) to 95%, which is 46% higher than Rainbow Teaming. Additionally, Ferret reduces the time needed to achieve a 90% ASR by 15.2% compared to the baseline and generates adversarial prompts that are transferable i.e. effective on other LLMs of larger size. Our codes are available at https://github.com/declare-lab/ferret.

Mixture of Experts (MoE) LLMs, characterized by their sparse activation patterns, offer a promising approach to scaling language models while avoiding proportionally increasing the inference cost. However, their large parameter sizes present deployment challenges in resource-constrained environments with limited GPU memory capacity, as GPU memory is often insufficient to accommodate the full set of model weights. Consequently, typical deployments rely on CPU-GPU hybrid execution: the GPU handles compute-intensive GEMM operations, while the CPU processes the relatively lightweight attention mechanism. This setup introduces a key challenge: how to effectively optimize resource utilization across CPU and GPU? Prior work has designed system optimizations based on performance models with limited scope. Specifically, such models do not capture the complex interactions between hardware properties and system execution mechanisms. Therefore, previous approaches neither identify nor achieve the hardware limit. This paper presents MoE-Lens, a high-throughput MoE LLM inference system designed through holistic performance modeling for resource-constrained environments. Our performance model thoroughly analyzes various fundamental system components, including CPU memory capacity, GPU compute power, and workload characteristics, to understand the theoretical performance upper bound of MoE inference. Furthermore, it captures the system execution mechanisms to identify the key hardware bottlenecks and accurately predict the achievable throughput. Informed by our performance model, MoE-Lens introduces an inference system approaching hardware limits. Evaluated on diverse MoE models and datasets, MoE-Lens outperforms the state-of-the-art solution by 4.6x on average (up to 25.5x), with our theoretical model predicting performance with an average 94% accuracy.

We aim to train a multi-task model such that users can adjust the desired compute budget and relative importance of task performances after deployment, without retraining. This enables optimizing performance for dynamically varying user needs, without heavy computational overhead to train and save models for various scenarios. To this end, we propose a multi-task model consisting of a shared encoder and task-specific decoders where both encoder and decoder channel widths are slimmable. Our key idea is to control the task importance by varying the capacities of task-specific decoders, while controlling the total computational cost by jointly adjusting the encoder capacity. This improves overall accuracy by allowing a stronger encoder for a given budget, increases control over computational cost, and delivers high-quality slimmed sub-architectures based on user's constraints. Our training strategy involves a novel 'Configuration-Invariant Knowledge Distillation' loss that enforces backbone representations to be invariant under different runtime width configurations to enhance accuracy. Further, we present a simple but effective search algorithm that translates user constraints to runtime width configurations of both the shared encoder and task decoders, for sampling the sub-architectures. The key rule for the search algorithm is to provide a larger computational budget to the higher preferred task decoder, while searching a shared encoder configuration that enhances the overall MTL performance. Various experiments on three multi-task benchmarks (PASCALContext, NYUDv2, and CIFAR100-MTL) with diverse backbone architectures demonstrate the advantage of our approach. For example, our method shows a higher controllability by ~33.5% in the NYUD-v2 dataset over prior methods, while incurring much less compute cost.

The rapid progress in Large Language Models (LLMs) has prompted the creation of numerous benchmarks to evaluate their capabilities.This study focuses on the Comprehensive Medical Benchmark in Chinese (CMB), showcasing how dataset diversity and distribution in supervised fine-tuning (SFT) may enhance LLM performance.Remarkably, We successfully trained a smaller base model to achieve scores comparable to larger models, indicating that a diverse and well-distributed dataset can optimize performance regardless of model size.This study suggests that even smaller models may reach high performance levels with carefully curated and varied datasets.By integrating a wide range of instructional content, our approach addresses potential issues such as data quality inconsistencies. Our results imply that a broader spectrum of training data may enhance a model's ability to generalize and perform effectively across different medical scenarios, highlighting the importance of dataset quality and diversity in fine-tuning processes.

DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS. https://github.com/chaoji90/LHD

In-context learning (ICL), the ability of large language models to perform novel tasks by conditioning on a prompt with a few task examples, requires these examples to be informative about the test instance. The standard approach of independently ranking and selecting the most similar examples selects redundant examples while omitting important information. In this work, we show that BERTScore-Recall (BSR) selects better examples that demonstrate more of the salient aspects, e.g. reasoning patterns, of the test input. We further extend BSR and many standard metrics to easily optimizable set-level metrics, giving still better coverage of those salient aspects. On 15 datasets spanning 6 tasks and with 7 diverse LLMs, we show that (1) BSR is the superior metric for in-context example selection across the board, and (2) for compositional tasks, set selection using Set-BSR outperforms independent ranking by up to 17 points on average and, despite being training-free, surpasses methods that leverage task or LLM-specific training.

Recent work demonstrates that, after being fine-tuned on a high-quality instruction dataset, the resulting model can obtain impressive capabilities to address a wide range of tasks. However, existing methods for instruction data generation often produce duplicate data and are not controllable enough on data quality. In this paper, we extend the generalization of instruction tuning by classifying the instruction data to 4 code-related tasks and propose a LLM-based Generator-Discriminator data process framework to generate diverse, high-quality instruction data from open source code. Hence, we introduce CodeOcean, a dataset comprising 20,000 instruction instances across 4 universal code-related tasks,which is aimed at augmenting the effectiveness of instruction tuning and improving the generalization ability of fine-tuned model. Subsequently, we present WaveCoder, a fine-tuned Code LLM with Widespread And Versatile Enhanced instruction tuning. This model is specifically designed for enhancing instruction tuning of Code Language Models (LLMs). Our experiments demonstrate that Wavecoder models outperform other open-source models in terms of generalization ability across different code-related tasks at the same level of fine-tuning scale. Moreover, Wavecoder exhibits high efficiency in previous code generation tasks. This paper thus offers a significant contribution to the field of instruction data generation and fine-tuning models, providing new insights and tools for enhancing performance in code-related tasks.

Despite significant progress in multilingual information retrieval, the lack of models capable of effectively supporting multiple languages, particularly low-resource like Indic languages, remains a critical challenge. This paper presents NLLB-E5: A Scalable Multilingual Retrieval Model. NLLB-E5 leverages the in-built multilingual capabilities in the NLLB encoder for translation tasks. It proposes a distillation approach from multilingual retriever E5 to provide a zero-shot retrieval approach handling multiple languages, including all major Indic languages, without requiring multilingual training data. We evaluate the model on a comprehensive suite of existing benchmarks, including Hindi-BEIR, highlighting its robust performance across diverse languages and tasks. Our findings uncover task and domain-specific challenges, providing valuable insights into the retrieval performance, especially for low-resource languages. NLLB-E5 addresses the urgent need for an inclusive, scalable, and language-agnostic text retrieval model, advancing the field of multilingual information access and promoting digital inclusivity for millions of users globally.

Instruction tuning, a new learning paradigm that fine-tunes pre-trained language models on tasks specified through instructions, has shown promising zero-shot performance on various natural language processing tasks. However, it has yet to be explored for vision and multimodal tasks. In this work, we introduce MUL-TIINSTRUCT, the first multimodal instruction tuning benchmark dataset that consists of 62 diverse multimodal tasks in a unified seq-to-seq format covering 10 broad categories. The tasks are derived from 21 existing open-source datasets and each task is equipped with 5 expert-written instructions. We take OFA as the base pre-trained model for multimodal instruction tuning, and to further improve its zero-shot performance, we explore multiple transfer learning strategies to leverage the large-scale NATURAL INSTRUCTIONS dataset. Experimental results demonstrate strong zero-shot performance on various unseen multimodal tasks and the benefit of transfer learning from a text-only instruction dataset. We also design a new evaluation metric - Sensitivity, to evaluate how sensitive the model is to the variety of instructions. Our results indicate that fine-tuning the model on a diverse set of tasks and instructions leads to a reduced sensitivity to variations in instructions for each task.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}