Daily Papers

Generative recommendation has recently emerged as a promising paradigm in sequential recommendation. It formulates the task as an autoregressive generation process, predicting discrete tokens of the next item conditioned on user interaction histories. Existing generative recommendation models are typically trained with token-level likelihood objectives, such as cross-entropy loss, while employing multi-step beam search during inference to generate ranked item candidates. However, this leads to a fundamental training-inference inconsistency: standard training assumes ground-truth history is always available, ignoring the fact that beam search prunes low-probability branches during inference. Consequently, the correct item may be prematurely discarded simply because its initial tokens (prefixes) have low scores. To address this issue, we propose the Adaptive Prefix-Aware Optimization (APAO) framework, which introduces prefix-level optimization losses to better align the training objective with the inference setting. Furthermore, we design an adaptive worst-prefix optimization strategy that dynamically focuses on the most vulnerable prefixes during training, thereby enhancing the model's ability to retain correct candidates under beam search constraints. We provide theoretical analyses to demonstrate the effectiveness and efficiency of our framework. Extensive experiments on multiple datasets further show that APAO consistently alleviates the training-inference inconsistency and improves performance across various generative recommendation backbones. Our codes are publicly available at https://github.com/yuyq18/APAO.

With recent advancements in large language models, methods like chain-of-thought prompting to elicit reasoning chains have been shown to improve results on reasoning tasks. However, tasks that require multiple steps of reasoning still pose significant challenges to state-of-the-art models. Drawing inspiration from the beam search algorithm, we propose PathFinder, a tree-search-based reasoning path generation approach. It enhances diverse branching and multi-hop reasoning through the integration of dynamic decoding, enabled by varying sampling methods and parameters. Using constrained reasoning, PathFinder integrates novel quality constraints, pruning, and exploration methods to enhance the efficiency and the quality of generation. Moreover, it includes scoring and ranking features to improve candidate selection. Our approach outperforms competitive baselines on three complex arithmetic and commonsense reasoning tasks by 6% on average. Our model generalizes well to longer, unseen reasoning chains, reflecting similar complexities to beam search with large branching factors.

Retrieval Augmented Generation (RAG) has become the standard approach for equipping Large Language Models (LLMs) with up-to-date knowledge. However, standard RAG, relying on independent passage retrieval, often fails to capture the interconnected nature of information required for complex, multi-hop reasoning. While structured RAG methods attempt to address this using knowledge graphs built from triples, we argue that the inherent context loss of triples (context collapse) limits the fidelity of the knowledge representation. We introduce PropRAG, a novel RAG framework that shifts from triples to context-rich propositions and introduces an efficient, LLM-free online beam search over proposition paths to discover multi-step reasoning chains. By coupling a higher-fidelity knowledge representation with explicit path discovery, PropRAG achieves state-of-the-art zero-shot Recall@5 and F1 scores on 2Wiki, HotpotQA, and MuSiQue, advancing non-parametric knowledge integration by improving evidence retrieval through richer representation and efficient reasoning path discovery.

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.

Practical deployment of Multi-Agent Systems (MAS) demands strong test-time performance, motivating methods that guide inference-time search and selectively spend compute to improve quality. We present the Multi-Agent System Process Reward Model (MASPRM). It assigns per-action, per-agent values to partial inter-agent transcripts and acts as an inference-time controller. MASPRM is trained from multi-agent Monte Carlo Tree Search (MCTS) rollouts without requiring step-level human annotations, by propagating returns to local targets. At inference, MASPRM guides step-level beam search and MCTS, focusing computation on promising branches and pruning early. On GSM8K and MATH, MASPRM-guided decoding with an outcome reward model (ORM) applied to the final answer, improves exact match (EM) over a single straight-through MAS pass by +30.7 and +22.9 points, respectively. A MASPRM trained on GSM8K transfers zero-shot to MATH without retraining, adding 8.4 EM points at the same budget. MASPRM is a plug-in value model that estimates per-agent progress and complements verifier-style decoders, enabling more reliable, compute-aware multi-agent reasoning. Code: https://github.com/milad1378yz/MASPRM

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.

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.

While diffusion models excel at generating high-quality images from text prompts, they struggle with visual consistency in image sequences. Existing methods generate each image independently, leading to disjointed narratives - a challenge further exacerbated in non-linear storytelling, where scenes must connect beyond adjacent frames. We introduce a novel beam search strategy for latent space exploration, enabling conditional generation of full image sequences with beam search decoding. Unlike prior approaches that use fixed latent priors, our method dynamically searches for an optimal sequence of latent representations, ensuring coherent visual transitions. To address beam search's quadratic complexity, we integrate a cross-attention mechanism that efficiently scores search paths and enables pruning, prioritizing alignment with both textual prompts and visual context. Human evaluations confirm that our approach outperforms baseline methods, producing full sequences with superior coherence, visual continuity, and textual alignment. By bridging advances in search optimization and latent space refinement, this work sets a new standard for structured image sequence generation.

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.

The basic concept in Neural Machine Translation (NMT) is to train a large Neural Network that maximizes the translation performance on a given parallel corpus. NMT is then using a simple left-to-right beam-search decoder to generate new translations that approximately maximize the trained conditional probability. The current beam search strategy generates the target sentence word by word from left-to- right while keeping a fixed amount of active candidates at each time step. First, this simple search is less adaptive as it also expands candidates whose scores are much worse than the current best. Secondly, it does not expand hypotheses if they are not within the best scoring candidates, even if their scores are close to the best one. The latter one can be avoided by increasing the beam size until no performance improvement can be observed. While you can reach better performance, this has the draw- back of a slower decoding speed. In this paper, we concentrate on speeding up the decoder by applying a more flexible beam search strategy whose candidate size may vary at each time step depending on the candidate scores. We speed up the original decoder by up to 43% for the two language pairs German-English and Chinese-English without losing any translation quality.

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.

While inference-time scaling through search has revolutionized Large Language Models, translating these gains to image generation has proven difficult. Recent attempts to apply search strategies to continuous diffusion models show limited benefits, with simple random sampling often performing best. We demonstrate that the discrete, sequential nature of visual autoregressive models enables effective search for image generation. We show that beam search substantially improves text-to-image generation, enabling a 2B parameter autoregressive model to outperform a 12B parameter diffusion model across benchmarks. Systematic ablations show that this advantage comes from the discrete token space, which allows early pruning and computational reuse, and our verifier analysis highlights trade-offs between speed and reasoning capability. These findings suggest that model architecture, not just scale, is critical for inference-time optimization in visual generation.

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.

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.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

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.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Discrete diffusion models are promising alternatives to autoregressive approaches for text generation, yet their decoding methods remain under-studied. Standard decoding methods for autoregressive models, such as beam search, do not directly apply to iterative denoising, and existing diffusion decoding techniques provide limited control over in-batch diversity. To bridge this gap, we introduce a generalized beam-search framework for discrete diffusion that generates candidates in parallel and supports modular beam-selection objectives. As a diversity-focused instantiation, we propose D5P4, which formulates the selection step as MAP inference over a Determinantal Point Process. Leveraging a scalable greedy solver, D5P4 maintains multi-GPU compatibility and enables an explicit trade-off between model probability and target diversity with near-zero compute overhead. Experiments on free-form generation and question answering demonstrate that D5P4 improves diversity over strong baselines while maintaining competitive generation quality.

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.

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.

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.

The paper proposes a novel machine learning-based approach to the pathfinding problem on extremely large graphs. This method leverages diffusion distance estimation via a neural network and uses beam search for pathfinding. We demonstrate its efficiency by finding solutions for 4x4x4 and 5x5x5 Rubik's cubes with unprecedentedly short solution lengths, outperforming all available solvers and introducing the first machine learning solver beyond the 3x3x3 case. In particular, it surpasses every single case of the combined best results in the Kaggle Santa 2023 challenge, which involved over 1,000 teams. For the 3x3x3 Rubik's cube, our approach achieves an optimality rate exceeding 98%, matching the performance of task-specific solvers and significantly outperforming prior solutions such as DeepCubeA (60.3%) and EfficientCube (69.6%). Additionally, our solution is more than 26 times faster in solving 3x3x3 Rubik's cubes while requiring up to 18.5 times less model training time than the most efficient state-of-the-art competitor.

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.

Efficient multi-hop reasoning requires Large Language Models (LLMs) based agents to acquire high-value external knowledge iteratively. Previous work has explored reinforcement learning (RL) to train LLMs to perform search-based document retrieval, achieving notable improvements in QA performance, but underperform on complex, multi-hop QA resulting from the sparse rewards from global signal only. To address this gap in existing research, we introduce StepSearch, a framework for search LLMs that trained with step-wise proximal policy optimization method. It consists of richer and more detailed intermediate search rewards and token-level process supervision based on information gain and redundancy penalties to better guide each search step. We constructed a fine-grained question-answering dataset containing sub-question-level search trajectories based on open source datasets through a set of data pipeline method. On standard multi-hop QA benchmarks, it significantly outperforms global-reward baselines, achieving 11.2% and 4.2% absolute improvements for 3B and 7B models over various search with RL baselines using only 19k training data, demonstrating the effectiveness of fine-grained, stepwise supervision in optimizing deep search LLMs. Our code will be released on https://github.com/Zillwang/StepSearch.

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.

Large Language Models (LLMs) are often challenged by generating erroneous or hallucinated responses, especially in complex reasoning tasks. Leveraging Knowledge Graphs (KGs) as external knowledge sources has emerged as a viable solution. However, existing KG-enhanced methods, either retrieval-based or agent-based, encounter difficulties in accurately retrieving knowledge and efficiently traversing KGs at scale. In this paper, we propose a unified framework, FiDeLiS, designed to improve the factuality of LLM responses by anchoring answers to verifiable reasoning steps retrieved from KGs. To achieve this, we leverage step-wise beam search with a deductive scoring function, allowing the LLM to validate reasoning process step by step, and halt the search once the question is deducible. In addition, we propose a Path-RAG module to pre-select a smaller candidate set for each beam search step, reducing computational costs by narrowing the search space. Extensive experiments show that our method, as a training-free framework, not only improve the performance but also enhance the factuality and interpretability across different benchmarks. Code is released at https://github.com/Y-Sui/FiDeLiS.

Although contemporary large language models (LMs) demonstrate impressive question-answering capabilities, their answers are typically the product of a single call to the model. This entails an unwelcome degree of opacity and compromises performance, especially on problems that are inherently multi-step. To address these limitations, we show how LMs can be made to perform faithful multi-step reasoning via a process whose causal structure mirrors the underlying logical structure of the problem. Our approach works by chaining together reasoning steps, where each step results from calls to two fine-tuned LMs, one for selection and one for inference, to produce a valid reasoning trace. Our method carries out a beam search through the space of reasoning traces to improve reasoning quality. We demonstrate the effectiveness of our model on multi-step logical deduction and scientific question-answering, showing that it outperforms baselines on final answer accuracy, and generates humanly interpretable reasoning traces whose validity can be checked by the user.

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%.

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.

Large language models (LLMs) have demonstrated strong reasoning capabilities. Nevertheless, they still suffer from factual errors when tackling knowledge-intensive tasks. Retrieval-augmented reasoning represents a promising approach. However, significant challenges still persist, including inaccurate and insufficient retrieval for complex questions, as well as difficulty in integrating multi-source knowledge. To address this, we propose Beam Aggregation Reasoning, BeamAggR, a reasoning framework for knowledge-intensive multi-hop QA. BeamAggR explores and prioritizes promising answers at each hop of question. Concretely, we parse the complex questions into trees, which include atom and composite questions, followed by bottom-up reasoning. For atomic questions, the LLM conducts reasoning on multi-source knowledge to get answer candidates. For composite questions, the LLM combines beam candidates, explores multiple reasoning paths through probabilistic aggregation, and prioritizes the most promising trajectory. Extensive experiments on four open-domain multi-hop reasoning datasets show that our method significantly outperforms SOTA methods by 8.5%. Furthermore, our analysis reveals that BeamAggR elicits better knowledge collaboration and answer aggregation.

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.

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.

We present the wakefield conformal mapping technique that can be readily applied to the analysis of the radiation generated by an ultra-relativistic particle in the step transition and a collimator. 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 shape optimization problems.

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.

Large pre-trained language models are capable of generating realistic text. However, controlling these models so that the generated text satisfies lexical constraints, i.e., contains specific words, is a challenging problem. Given that state-of-the-art language models are too large to be trained from scratch in a manageable time, it is desirable to control these models without re-training them. Methods capable of doing this are called plug-and-play. Recent plug-and-play methods have been successful in constraining small bidirectional language models as well as forward models in tasks with a restricted search space, e.g., machine translation. However, controlling large transformer-based models to meet lexical constraints without re-training them remains a challenge. In this work, we propose Directed Beam Search (DBS), a plug-and-play method for lexically constrained language generation. Our method can be applied to any language model, is easy to implement and can be used for general language generation. In our experiments we use DBS to control GPT-2. We demonstrate its performance on keyword-to-phrase generation and we obtain comparable results as a state-of-the-art non-plug-and-play model for lexically constrained story generation.

Multimodal Large Language Models (MLLMs) have advanced VQA and now support Vision-DeepResearch systems that use search engines for complex visual-textual fact-finding. However, evaluating these visual and textual search abilities is still difficult, and existing benchmarks have two major limitations. First, existing benchmarks are not visual search-centric: answers that should require visual search are often leaked through cross-textual cues in the text questions or can be inferred from the prior world knowledge in current MLLMs. Second, overly idealized evaluation scenario: On the image-search side, the required information can often be obtained via near-exact matching against the full image, while the text-search side is overly direct and insufficiently challenging. To address these issues, we construct the Vision-DeepResearch benchmark (VDR-Bench) comprising 2,000 VQA instances. All questions are created via a careful, multi-stage curation pipeline and rigorous expert review, designed to assess the behavior of Vision-DeepResearch systems under realistic real-world conditions. Moreover, to address the insufficient visual retrieval capabilities of current MLLMs, we propose a simple multi-round cropped-search workflow. This strategy is shown to effectively improve model performance in realistic visual retrieval scenarios. Overall, our results provide practical guidance for the design of future multimodal deep-research systems. The code will be released in https://github.com/Osilly/Vision-DeepResearch.

Large language models (LLMs) face low hardware efficiency during decoding, especially for long-context reasoning tasks. This paper introduces Step-3, a 321B-parameter VLM with hardware-aware model-system co-design optimized for minimizing decoding costs. Step-3 innovates in two key dimensions: (1) A novel Multi-Matrix Factorization Attention (MFA) mechanism that significantly reduces both KV cache size and computation while maintaining high attention expressiveness, and (2) Attention-FFN Disaggregation (AFD), a distributed inference system that decouples attention and Feed-Forward Network (FFN) layers into specialized subsystems. This co-design achieves unprecedented cost efficiency: Step-3 significantly reduces theoretical decoding costs compared with models like DeepSeek-V3 and Qwen3 MoE 235B, with the gains widening at longer context. Step-3 achieves low cost while activating 38B parameters per token (more than DeepSeek-V3 and Qwen3 MoE 235B), demonstrating that hardware-aligned attention arithmetic intensity, MoE sparsity, and AFD are critical to cost-effectiveness. We perform a head-to-head comparison with DeepSeek-V3 in its favorable scenarios. Our implementation on Hopper GPUs achieves a decoding throughput of up to 4,039 tokens per second per GPU under 50ms TPOT SLA (4K context, FP8, no MTP). It is higher than DeepSeek-V3's 2,324 in the same setup and sets a new Pareto frontier for LLM decoding.

Ray tracing has become a standard for accurate radio propagation modeling, but suffers from exponential computational complexity, as the number of candidate paths scales with the number of objects raised to the power of the interaction order. This bottleneck limits its use in large-scale or real-time applications, forcing traditional tools to rely on heuristics to reduce the number of path candidates at the cost of potentially reduced accuracy. To overcome this limitation, we propose a comprehensive machine-learning-assisted framework that replaces exhaustive path searching with intelligent sampling via Generative Flow Networks. Applying such generative models to this domain presents significant challenges, particularly sparse rewards due to the rarity of valid paths, which can lead to convergence failures and trivial solutions when evaluating high-order interactions in complex environments. To ensure robust learning and efficient exploration, our framework incorporates three key architectural components. First, we implement an experience replay buffer to capture and retain rare valid paths. Second, we adopt a uniform exploratory policy to improve generalization and prevent the model from overfitting to simple geometries. Third, we apply a physics-based action masking strategy that filters out physically impossible paths before the model even considers them. As demonstrated in our experimental validation, the proposed model achieves substantial speedups over exhaustive search -- up to 10times faster on GPU and 1000times faster on CPU -- while maintaining high coverage accuracy and successfully uncovering complex propagation paths. The complete source code, tests, and tutorial are available at https://github.com/jeertmans/sampling-paths.

Recent advancements in jailbreaking large language models (LLMs), such as AutoDAN-Turbo, have demonstrated the power of automated strategy discovery. AutoDAN-Turbo employs a lifelong learning agent to build a rich library of attack strategies from scratch. While highly effective, its test-time generation process involves sampling a strategy and generating a single corresponding attack prompt, which may not fully exploit the potential of the learned strategy library. In this paper, we propose to further improve the attack performance of AutoDAN-Turbo through test-time scaling. We introduce two distinct scaling methods: Best-of-N and Beam Search. The Best-of-N method generates N candidate attack prompts from a sampled strategy and selects the most effective one based on a scorer model. The Beam Search method conducts a more exhaustive search by exploring combinations of strategies from the library to discover more potent and synergistic attack vectors. According to the experiments, the proposed methods significantly boost performance, with Beam Search increasing the attack success rate by up to 15.6 percentage points on Llama-3.1-70B-Instruct and achieving a nearly 60% relative improvement against the highly robust GPT-o4-mini compared to the vanilla method.

Large models are increasingly becoming autonomous agents that interact with real-world environments and use external tools to augment their static capabilities. However, most recent progress has focused on text-only large language models, which are limited to a single modality and therefore have narrower application scenarios. On the other hand, multimodal large models, while offering stronger perceptual capabilities, remain limited to static knowledge and lack the ability to access and leverage up-to-date web information. In this paper, we propose VSearcher, turning static multimodal model into multimodal search agent capable of long-horizon, multi-turn tool use in real-world web environments, including text search, image search, and web browsing, via reinforcement learning. Specifically, we introduce Iterative Injection Data Synthesis pipeline to generate large-scale, complex multimodal QA questions, which are further filtered with comprehensive metrics to ensure high quality and sufficient difficulty. We then adopt an SFT-then-RL training pipeline to turn base multimodal models to agent capable of multi-turn tool calling in real-world web environments. Besides, we propose a multimodal search benchmark MM-SearchExam dedicated to evaluating search capabilities of multimodal search agents, which proves highly challenging for recent proprietary models. Extensive evaluations across multiple multimodal search benchmarks reveal effectiveness of our method. VSearcher achieves superior performance compared to recent multimodal search agents and even surpasses several proprietary models on multimodal web search tasks.

In this work, we introduce mxbai-edge-colbert-v0 models, at two different parameter counts: 17M and 32M. As part of our research, we conduct numerous experiments to improve retrieval and late-interaction models, which we intend to distill into smaller models as proof-of-concepts. Our ultimate aim is to support retrieval at all scales, from large-scale retrieval which lives in the cloud to models that can run locally, on any device. mxbai-edge-colbert-v0 is a model that we hope will serve as a solid foundation backbone for all future experiments, representing the first version of a long series of small proof-of-concepts. As part of the development of mxbai-edge-colbert-v0, we conducted multiple ablation studies, of which we report the results. In terms of downstream performance, mxbai-edge-colbert-v0 is a particularly capable small model, outperforming ColBERTv2 on common short-text benchmarks (BEIR) and representing a large step forward in long-context tasks, with unprecedented efficiency.

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

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

Multimodal large language models (MLLMs) have achieved remarkable success across a broad range of vision tasks. However, constrained by the capacity of their internal world knowledge, prior work has proposed augmenting MLLMs by ``reasoning-then-tool-call'' for visual and textual search engines to obtain substantial gains on tasks requiring extensive factual information. However, these approaches typically define multimodal search in a naive setting, assuming that a single full-level or entity-level image query and few text query suffices to retrieve the key evidence needed to answer the question, which is unrealistic in real-world scenarios with substantial visual noise. Moreover, they are often limited in the reasoning depth and search breadth, making it difficult to solve complex questions that require aggregating evidence from diverse visual and textual sources. Building on this, we propose Vision-DeepResearch, which proposes one new multimodal deep-research paradigm, i.e., performs multi-turn, multi-entity and multi-scale visual and textual search to robustly hit real-world search engines under heavy noise. Our Vision-DeepResearch supports dozens of reasoning steps and hundreds of engine interactions, while internalizing deep-research capabilities into the MLLM via cold-start supervision and RL training, resulting in a strong end-to-end multimodal deep-research MLLM. It substantially outperforming existing multimodal deep-research MLLMs, and workflows built on strong closed-source foundation model such as GPT-5, Gemini-2.5-pro and Claude-4-Sonnet. The code will be released in https://github.com/Osilly/Vision-DeepResearch.

We present STEP3-VL-10B, a lightweight open-source foundation model designed to redefine the trade-off between compact efficiency and frontier-level multimodal intelligence. STEP3-VL-10B is realized through two strategic shifts: first, a unified, fully unfrozen pre-training strategy on 1.2T multimodal tokens that integrates a language-aligned Perception Encoder with a Qwen3-8B decoder to establish intrinsic vision-language synergy; and second, a scaled post-training pipeline featuring over 1k iterations of reinforcement learning. Crucially, we implement Parallel Coordinated Reasoning (PaCoRe) to scale test-time compute, allocating resources to scalable perceptual reasoning that explores and synthesizes diverse visual hypotheses. Consequently, despite its compact 10B footprint, STEP3-VL-10B rivals or surpasses models 10times-20times larger (e.g., GLM-4.6V-106B, Qwen3-VL-235B) and top-tier proprietary flagships like Gemini 2.5 Pro and Seed-1.5-VL. Delivering best-in-class performance, it records 92.2% on MMBench and 80.11% on MMMU, while excelling in complex reasoning with 94.43% on AIME2025 and 75.95% on MathVision. We release the full model suite to provide the community with a powerful, efficient, and reproducible baseline.

Multimodal Large Language Models (MLLMs) in real-world applications require access to external knowledge sources and must remain responsive to the dynamic and ever-changing real-world information in order to address information-seeking and knowledge-intensive user queries. Existing approaches, such as retrieval augmented generation (RAG) methods, search agents, and search equipped MLLMs, often suffer from rigid pipelines, excessive search calls, and poorly constructed search queries, which result in inefficiencies and suboptimal outcomes. To address these limitations, we present DeepMMSearch-R1, the first multimodal LLM capable of performing on-demand, multi-turn web searches and dynamically crafting queries for both image and text search tools. Specifically, DeepMMSearch-R1 can initiate web searches based on relevant crops of the input image making the image search more effective, and can iteratively adapt text search queries based on retrieved information, thereby enabling self-reflection and self-correction. Our approach relies on a two-stage training pipeline: a cold start supervised finetuning phase followed by an online reinforcement learning optimization. For training, we introduce DeepMMSearchVQA, a novel multimodal VQA dataset created through an automated pipeline intermixed with real-world information from web search tools. This dataset contains diverse, multi-hop queries that integrate textual and visual information, teaching the model when to search, what to search for, which search tool to use and how to reason over the retrieved information. We conduct extensive experiments across a range of knowledge-intensive benchmarks to demonstrate the superiority of our approach. Finally, we analyze the results and provide insights that are valuable for advancing multimodal web-search.

We show the existence of a Locality-Sensitive Hashing (LSH) family for the angular distance that yields an approximate Near Neighbor Search algorithm with the asymptotically optimal running time exponent. Unlike earlier algorithms with this property (e.g., Spherical LSH [Andoni, Indyk, Nguyen, Razenshteyn 2014], [Andoni, Razenshteyn 2015]), our algorithm is also practical, improving upon the well-studied hyperplane LSH [Charikar, 2002] in practice. We also introduce a multiprobe version of this algorithm, and conduct experimental evaluation on real and synthetic data sets. We complement the above positive results with a fine-grained lower bound for the quality of any LSH family for angular distance. Our lower bound implies that the above LSH family exhibits a trade-off between evaluation time and quality that is close to optimal for a natural class of LSH functions.

Multimodal vector search offers a new paradigm for information retrieval by exposing numerous pieces of functionality which are not possible in traditional lexical search engines. While multimodal vector search can be treated as a drop in replacement for these traditional systems, the experience can be significantly enhanced by leveraging the unique capabilities of multimodal search. Central to any information retrieval system is a user who expresses an information need, traditional user interfaces with a single search bar allow users to interact with lexical search systems effectively however are not necessarily optimal for multimodal vector search. In this paper we explore novel capabilities of multimodal vector search applications utilising CLIP models and present implementations and design patterns which better allow users to express their information needs and effectively interact with these systems in an information retrieval context.

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

Holographic Metasurface Transceivers (HMTs) are emerging as cost-effective substitutes to large antenna arrays for beamforming in Millimeter and TeraHertz wave communication. However, to achieve desired channel gains through beamforming in HMT, phase-shifts of a large number of elements need to be appropriately set, which is challenging. Also, these optimal phase-shifts depend on the location of the receivers, which could be unknown. In this work, we develop a learning algorithm using a {\it fixed-budget multi-armed bandit framework} to beamform and maximize received signal strength at the receiver for far-field regions. Our algorithm, named \Algo exploits the parametric form of channel gains of the beams, which can be expressed in terms of two {\it phase-shifting parameters}. Even after parameterization, the problem is still challenging as phase-shifting parameters take continuous values. To overcome this, {\it\HB} works with the discrete values of phase-shifting parameters and exploits their unimodal relations with channel gains to learn the optimal values faster. We upper bound the probability of {\it\HB} incorrectly identifying the (discrete) optimal phase-shift parameters in terms of the number of pilots used in learning. We show that this probability decays exponentially with the number of pilot signals. We demonstrate that {\it\HB} outperforms state-of-the-art algorithms through extensive simulations.

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.

Long-context language models (LCLM), characterized by their extensive context window, is becoming increasingly popular. Meanwhile, many long-context benchmarks present challenging tasks that even the most advanced LCLMs struggle to complete. However, the underlying sources of various challenging long-context tasks have seldom been studied. To bridge this gap, we conduct experiments to indicate their difficulty stems primarily from two basic issues: "multi-matching retrieval," which requires the simultaneous retrieval of multiple items, and "logic-based retrieval," which necessitates logical judgment within retrieval criteria. These two problems, while seemingly straightforward, actually exceed the capabilities of LCLMs because they are proven to be hyper-multi-step (demanding numerous steps to solve) in nature. This finding could explain why LLMs struggle with more advanced long-context tasks, providing a more accurate perspective for rethinking solutions for them.

Diffusion models are emerging expressive generative models, in which a large number of time steps (inference steps) are required for a single image generation. To accelerate such tedious process, reducing steps uniformly is considered as an undisputed principle of diffusion models. We consider that such a uniform assumption is not the optimal solution in practice; i.e., we can find different optimal time steps for different models. Therefore, we propose to search the optimal time steps sequence and compressed model architecture in a unified framework to achieve effective image generation for diffusion models without any further training. Specifically, we first design a unified search space that consists of all possible time steps and various architectures. Then, a two stage evolutionary algorithm is introduced to find the optimal solution in the designed search space. To further accelerate the search process, we employ FID score between generated and real samples to estimate the performance of the sampled examples. As a result, the proposed method is (i).training-free, obtaining the optimal time steps and model architecture without any training process; (ii). orthogonal to most advanced diffusion samplers and can be integrated to gain better sample quality. (iii). generalized, where the searched time steps and architectures can be directly applied on different diffusion models with the same guidance scale. Experimental results show that our method achieves excellent performance by using only a few time steps, e.g. 17.86 FID score on ImageNet 64 times 64 with only four steps, compared to 138.66 with DDIM. The code is available at https://github.com/lilijiangg/AutoDiffusion.

When we look around and perform complex tasks, how we see and selectively process what we see is crucial. However, the lack of this visual search mechanism in current multimodal LLMs (MLLMs) hinders their ability to focus on important visual details, especially when handling high-resolution and visually crowded images. To address this, we introduce V*, an LLM-guided visual search mechanism that employs the world knowledge in LLMs for efficient visual querying. When combined with an MLLM, this mechanism enhances collaborative reasoning, contextual understanding, and precise targeting of specific visual elements. This integration results in a new MLLM meta-architecture, named Show, sEArch, and TelL (SEAL). We further create V*Bench, a benchmark specifically designed to evaluate MLLMs in their ability to process high-resolution images and focus on visual details. Our study highlights the necessity of incorporating visual search capabilities into multimodal systems. The code is available https://github.com/penghao-wu/vstar.

Prompt optimization aims to find the best prompt to a large language model (LLM) for a given task. LLMs have been successfully used to help find and improve prompt candidates for single-step tasks. However, realistic tasks for agents are multi-step and introduce new challenges: (1) Prompt content is likely to be more extensive and complex, making it more difficult for LLMs to analyze errors, (2) the impact of an individual step is difficult to evaluate, and (3) different people may have varied preferences about task execution. While humans struggle to optimize prompts, they are good at providing feedback about LLM outputs; we therefore introduce a new LLM-driven discrete prompt optimization framework PRompt Optimization in Multi-Step Tasks (PROMST) that incorporates human-designed feedback rules to automatically offer direct suggestions for improvement. We also use an extra learned heuristic model that predicts prompt performance to efficiently sample from prompt candidates. This approach significantly outperforms both human-engineered prompts and several other prompt optimization methods across 11 representative multi-step tasks (an average 10.6\%-29.3\% improvement to current best methods on five LLMs respectively). We believe our work can serve as a benchmark for automatic prompt optimization for LLM-driven multi-step tasks. Datasets and Codes are available at https://github.com/yongchao98/PROMST. Project Page is available at https://yongchao98.github.io/MIT-REALM-PROMST.

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

Blending multiple convolutional kernels is proved advantageous in neural architecture design. However, current two-stage neural architecture search methods are mainly limited to single-path search spaces. How to efficiently search models of multi-path structures remains a difficult problem. In this paper, we are motivated to train a one-shot multi-path supernet to accurately evaluate the candidate architectures. Specifically, we discover that in the studied search spaces, feature vectors summed from multiple paths are nearly multiples of those from a single path. Such disparity perturbs the supernet training and its ranking ability. Therefore, we propose a novel mechanism called Shadow Batch Normalization (SBN) to regularize the disparate feature statistics. Extensive experiments prove that SBNs are capable of stabilizing the optimization and improving ranking performance. We call our unified multi-path one-shot approach as MixPath, which generates a series of models that achieve state-of-the-art results on ImageNet.

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 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.

As LLMs shift toward autonomous agents, Deep Research has emerged as a pivotal metric. However, existing academic benchmarks like BrowseComp often fail to meet real-world demands for open-ended research, which requires robust skills in intent recognition, long-horizon decision-making, and cross-source verification. To address this, we introduce Step-DeepResearch, a cost-effective, end-to-end agent. We propose a Data Synthesis Strategy Based on Atomic Capabilities to reinforce planning and report writing, combined with a progressive training path from agentic mid-training to SFT and RL. Enhanced by a Checklist-style Judger, this approach significantly improves robustness. Furthermore, to bridge the evaluation gap in the Chinese domain, we establish ADR-Bench for realistic deep research scenarios. Experimental results show that Step-DeepResearch (32B) scores 61.4% on Scale AI Research Rubrics. On ADR-Bench, it significantly outperforms comparable models and rivals SOTA closed-source models like OpenAI and Gemini DeepResearch. These findings prove that refined training enables medium-sized models to achieve expert-level capabilities at industry-leading cost-efficiency.

Large language models (LLMs) are increasingly employed for complex multi-step planning tasks, where the tool retrieval (TR) step is crucial for achieving successful outcomes. Two prevalent approaches for TR are single-step retrieval, which utilizes the complete query, and sequential retrieval using task decomposition (TD), where a full query is segmented into discrete atomic subtasks. While single-step retrieval lacks the flexibility to handle "inter-tool dependency," the TD approach necessitates maintaining "subtask-tool atomicity alignment," as the toolbox can evolve dynamically. To address these limitations, we introduce the Progressive Tool retrieval to Improve Planning (ProTIP) framework. ProTIP is a lightweight, contrastive learning-based framework that implicitly performs TD without the explicit requirement of subtask labels, while simultaneously maintaining subtask-tool atomicity. On the ToolBench dataset, ProTIP outperforms the ChatGPT task decomposition-based approach by a remarkable margin, achieving a 24% improvement in Recall@K=10 for TR and a 41% enhancement in tool accuracy for plan generation.

LLM-powered search agents are increasingly being used for multi-step information seeking tasks, yet the IR community lacks empirical understanding of how agentic search sessions unfold and how retrieved evidence is used. This paper presents a large-scale log analysis of agentic search based on 14.44M search requests (3.97M sessions) collected from DeepResearchGym, i.e. an open-source search API accessed by external agentic clients. We sessionize the logs, assign session-level intents and step-wise query-reformulation labels using LLM-based annotation, and propose Context-driven Term Adoption Rate (CTAR) to quantify whether newly introduced query terms are traceable to previously retrieved evidence. Our analyses reveal distinctive behavioral patterns. First, over 90% of multi-turn sessions contain at most ten steps, and 89% of inter-step intervals fall under one minute. Second, behavior varies by intent. Fact-seeking sessions exhibit high repetition that increases over time, while sessions requiring reasoning sustain broader exploration. Third, agents reuse evidence across steps. On average, 54% of newly introduced query terms appear in the accumulated evidence context, with contributions from earlier steps beyond the most recent retrieval. The findings suggest that agentic search may benefit from repetition-aware early stopping, intent-adaptive retrieval budgets, and explicit cross-step context tracking. We plan to release the anonymized logs to support future research.

We argue that the Declarative Self-improving Python (DSPy) optimizers are a way to align the large language model (LLM) prompts and their evaluations to the human annotations. We present a comparative analysis of five teleprompter algorithms, namely, Cooperative Prompt Optimization (COPRO), Multi-Stage Instruction Prompt Optimization (MIPRO), BootstrapFewShot, BootstrapFewShot with Optuna, and K-Nearest Neighbor Few Shot, within the DSPy framework with respect to their ability to align with human evaluations. As a concrete example, we focus on optimizing the prompt to align hallucination detection (using LLM as a judge) to human annotated ground truth labels for a publicly available benchmark dataset. Our experiments demonstrate that optimized prompts can outperform various benchmark methods to detect hallucination, and certain telemprompters outperform the others in at least these experiments.

Multi-step multimodal reasoning tasks pose significant challenges for multimodal large language models (MLLMs), and finding effective ways to enhance their performance in such scenarios remains an unresolved issue. In this paper, we propose AR-MCTS, a universal framework designed to progressively improve the reasoning capabilities of MLLMs through Active Retrieval (AR) and Monte Carlo Tree Search (MCTS). Our approach begins with the development of a unified retrieval module that retrieves key supporting insights for solving complex reasoning problems from a hybrid-modal retrieval corpus. To bridge the gap in automated multimodal reasoning verification, we employ the MCTS algorithm combined with an active retrieval mechanism, which enables the automatic generation of step-wise annotations. This strategy dynamically retrieves key insights for each reasoning step, moving beyond traditional beam search sampling to improve the diversity and reliability of the reasoning space. Additionally, we introduce a process reward model that aligns progressively to support the automatic verification of multimodal reasoning tasks. Experimental results across three complex multimodal reasoning benchmarks confirm the effectiveness of the AR-MCTS framework in enhancing the performance of various multimodal models. Further analysis demonstrates that AR-MCTS can optimize sampling diversity and accuracy, yielding reliable multimodal reasoning.

As user content and queries become increasingly multi-modal, the need for effective multi-modal search systems has grown. Traditional search systems often rely on textual and metadata annotations for indexed images, while multi-modal embeddings like CLIP enable direct search using text and image embeddings. However, embedding-based approaches face challenges in integrating contextual features such as user locale and recency. Building a scalable multi-modal search system requires fine-tuning several components. This paper presents a multi-modal search architecture and a series of AB tests that optimize embeddings and multi-modal technologies in Adobe Express template search. We address considerations such as embedding model selection, the roles of embeddings in matching and ranking, and the balance between dense and sparse embeddings. Our iterative approach demonstrates how utilizing sparse, dense, and contextual features enhances short and long query search, significantly reduces null rates (over 70\%), and increases click-through rates (CTR). Our findings provide insights into developing robust multi-modal search systems, thereby enhancing relevance for complex queries.

Large Language Model (LLM)-based search agents have shown remarkable capabilities in solving complex tasks by dynamically decomposing problems and addressing them through interleaved reasoning and retrieval. However, this interleaved paradigm introduces substantial efficiency bottlenecks. First, we observe that both highly accurate and overly approximate retrieval methods degrade system efficiency: exact search incurs significant retrieval overhead, while coarse retrieval requires additional reasoning steps during generation. Second, we identify inefficiencies in system design, including improper scheduling and frequent retrieval stalls, which lead to cascading latency -- where even minor delays in retrieval amplify end-to-end inference time. To address these challenges, we introduce SearchAgent-X, a high-efficiency inference framework for LLM-based search agents. SearchAgent-X leverages high-recall approximate retrieval and incorporates two key techniques: priority-aware scheduling and non-stall retrieval. Extensive experiments demonstrate that SearchAgent-X consistently outperforms state-of-the-art systems such as vLLM and HNSW-based retrieval across diverse tasks, achieving up to 3.4times higher throughput and 5times lower latency, without compromising generation quality. SearchAgent-X is available at https://github.com/tiannuo-yang/SearchAgent-X.

Physics problem-solving is a challenging domain for large AI models, requiring integration of conceptual understanding, mathematical reasoning, and interpretation of physical diagrams. Current evaluation methodologies show notable limitations in capturing the breadth and complexity of undergraduate-level physics, underscoring the need for more rigorous assessments. To this end, we present PhysUniBench, a large-scale multimodal benchmark designed to evaluate and improve the reasoning capabilities of multimodal large language models (MLLMs) specifically on undergraduate-level physics problems. PhysUniBench consists of 3,304 physics questions spanning 8 major sub-disciplines of physics, each accompanied by one visual diagrams. The benchmark includes both open-ended and multiple-choice questions, systematically curated and difficulty-rated through an iterative model-in-the-loop process. The benchmark's construction involved a rigorous multi-stage process, including multiple roll-outs, expert-level evaluation, automated filtering of easily solved problems, and a nuanced difficulty grading system with five levels. Through extensive experiments, we observe that current state-of-the-art models encounter substantial challenges in physics reasoning. For example, GPT-4o mini achieves only about 34.2\% accuracy in the proposed PhysUniBench. These results highlight that current MLLMs struggle with advanced physics reasoning, especially on multi-step problems and those requiring precise diagram interpretation. By providing a broad and rigorous assessment tool, PhysUniBench aims to drive progress in AI for Science, encouraging the development of models with stronger physical reasoning, problem-solving skills, and multimodal understanding. The benchmark and evaluation scripts are available at https://prismax-team.github.io/PhysUniBenchmark/.

Prompt highlighting steers a large language model to prioritize user-specified text spans during generation. A key challenge is extracting steering directions that capture the difference between relevant and irrelevant contexts, rather than shared structural patterns common to both. We propose PRISM-Δ (Projection-based Relevance-Informed Steering Method), which decomposes the difference between positive and negative cross-covariance matrices to maximize discriminative energy while eliminating shared directions. Each attention head receives a continuous softplus importance weight, letting weak-but-useful heads contribute at reduced strength. The framework extends naturally to Value representations, capturing content-channel signal that Key-only methods leave unused. Across four benchmarks and five models, PRISM-Δ matches or exceeds the best existing method on 19 of 20 configurations, with relative gains up to +10.6%, while halving the fluency cost of steering. PRISM-Δ also scales to long-context retrieval, outperforming the best existing method by up to +4.8% relative gain. PRISM-Δ is compatible with FlashAttention and adds negligible memory overhead.

Graph-based Retrieval-Augmented Generation (GraphRAG) frameworks face a trade-off between the comprehensiveness of global search and the efficiency of local search. Existing methods are often challenged by navigating large-scale hierarchical graphs, optimizing retrieval paths, and balancing exploration-exploitation dynamics, frequently lacking robust multi-stage re-ranking. To overcome these deficits, we propose Deep GraphRAG, a framework designed for a balanced approach to hierarchical retrieval and adaptive integration. It introduces a hierarchical global-to-local retrieval strategy that integrates macroscopic inter-community and microscopic intra-community contextual relations. This strategy employs a three-stage process: (1) inter-community filtering, which prunes the search space using local context; (2) community-level refinement, which prioritizes relevant subgraphs via entity-interaction analysis; and (3) entity-level fine-grained search within target communities. A beam search-optimized dynamic re-ranking module guides this process, continuously filtering candidates to balance efficiency and global comprehensiveness. Deep GraphRAG also features a Knowledge Integration Module leveraging a compact LLM, trained with Dynamic Weighting Reward GRPO (DW-GRPO). This novel reinforcement learning approach dynamically adjusts reward weights to balance three key objectives: relevance, faithfulness, and conciseness. This training enables compact models (1.5B) to approach the performance of large models (70B) in the integration task. Evaluations on Natural Questions and HotpotQA demonstrate that Deep GraphRAG significantly outperforms baseline graph retrieval methods in both accuracy and efficiency.

Information-seeking is a core capability for AI agents, requiring them to gather and reason over tool-generated information across long trajectories. However, such multi-step information-seeking tasks remain challenging for agents backed by language models. While process reward models (PRMs) can guide agents by ranking candidate steps at test-time, existing PRMs, designed for short reasoning with binary judgment, cannot capture richer dimensions of information-seeking steps, such as tool interactions and reasoning over tool outputs, nor handle the rapidly growing context in long-horizon tasks. To address these limitations, we introduce PRInTS, a generative PRM trained with dual capabilities: (1) dense scoring based on the PRM's reasoning across multiple step quality dimensions (e.g., interpretation of tool outputs, tool call informativeness) and (2) trajectory summarization that compresses the growing context while preserving essential information for step evaluation. Extensive evaluations across FRAMES, GAIA (levels 1-3), and WebWalkerQA (easy-hard) benchmarks on multiple models, along with ablations, reveal that best-of-n sampling with PRInTS enhances information-seeking abilities of open-source models as well as specialized agents, matching or surpassing the performance of frontier models with a much smaller backbone agent and outperforming other strong reward modeling baselines.

The remarkable progress in text-to-video diffusion models enables the generation of photorealistic videos, although the content of these generated videos often includes unnatural movement or deformation, reverse playback, and motionless scenes. Recently, an alignment problem has attracted huge attention, where we steer the output of diffusion models based on some measure of the content's goodness. Because there is a large room for improvement of perceptual quality along the frame direction, we should address which metrics we should optimize and how we can optimize them in the video generation. In this paper, we propose diffusion latent beam search with lookahead estimator, which can select a better diffusion latent to maximize a given alignment reward at inference time. We then point out that improving perceptual video quality with respect to alignment to prompts requires reward calibration by weighting existing metrics. This is because when humans or vision language models evaluate outputs, many previous metrics to quantify the naturalness of video do not always correlate with the evaluation. We demonstrate that our method improves the perceptual quality evaluated on the calibrated reward, VLMs, and human assessment, without model parameter update, and outputs the best generation compared to greedy search and best-of-N sampling under much more efficient computational cost. The experiments highlight that our method is beneficial to many capable generative models, and provide a practical guideline: we should prioritize the inference-time compute allocation into enabling the lookahead estimator and increasing the search budget, rather than expanding the denoising steps.

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

Many recent approaches towards neural information retrieval mitigate their computational costs by using a multi-stage ranking pipeline. In the first stage, a number of potentially relevant candidates are retrieved using an efficient retrieval model such as BM25. Although BM25 has proven decent performance as a first-stage ranker, it tends to miss relevant passages. In this context we propose CoRT, a simple neural first-stage ranking model that leverages contextual representations from pretrained language models such as BERT to complement term-based ranking functions while causing no significant delay at query time. Using the MS MARCO dataset, we show that CoRT significantly increases the candidate recall by complementing BM25 with missing candidates. Consequently, we find subsequent re-rankers achieve superior results with less candidates. We further demonstrate that passage retrieval using CoRT can be realized with surprisingly low latencies.

This work addresses a fundamental barrier in recommender systems: the inability to generalize across domains without extensive retraining. Traditional ID-based approaches fail entirely in cold-start and cross-domain scenarios where new users or items lack sufficient interaction history. Inspired by foundation models' cross-domain success, we develop a foundation model for sequential recommendation that achieves genuine zero-shot generalization capabilities. Our approach fundamentally departs from existing ID-based methods by deriving item representations exclusively from textual features. This enables immediate embedding of any new item without model retraining. We introduce unified item tokenization with Finite Scalar Quantization that transforms heterogeneous textual descriptions into standardized discrete tokens. This eliminates domain barriers that plague existing systems. Additionally, the framework features hybrid bidirectional-causal attention that captures both intra-item token coherence and inter-item sequential dependencies. An efficient catalog-aware beam search decoder enables real-time token-to-item mapping. Unlike conventional approaches confined to their training domains, RecGPT naturally bridges diverse recommendation contexts through its domain-invariant tokenization mechanism. Comprehensive evaluations across six datasets and industrial scenarios demonstrate consistent performance advantages.

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.

Diverse outputs in text generation are necessary for effective exploration in complex reasoning tasks, such as code generation and mathematical problem solving. Such Pass@k problems benefit from distinct candidates covering the solution space. However, traditional sampling approaches often waste computational resources on repetitive failure modes. While Diffusion Language Models have emerged as a competitive alternative to the prevailing Autoregressive paradigm, they remain susceptible to this redundancy, with independent samples frequently collapsing into similar modes. To address this, we propose a training free, low cost intervention to enhance generative diversity in Diffusion Language Models. Our approach modifies intermediate samples in a batch sequentially, where each sample is repelled from the feature space of previous samples, actively penalising redundancy. Unlike prior methods that require retraining or beam search, our strategy incurs negligible computational overhead, while ensuring that each sample contributes a unique perspective to the batch. We evaluate our method on the HumanEval and GSM8K benchmarks using the LLaDA-8B-Instruct model. Our results demonstrate significantly improved diversity and Pass@k performance across various temperature settings. As a simple modification to the sampling process, our method offers an immediate, low-cost improvement for current and future Diffusion Language Models in tasks that benefit from diverse solution search. We make our code available at https://github.com/sean-lamont/odd.

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

While beam search improves speech recognition quality over greedy decoding, standard implementations are slow, often sequential, and CPU-bound. To fully leverage modern hardware capabilities, we present a novel open-source FlexCTC toolkit for fully GPU-based beam decoding, designed for Connectionist Temporal Classification (CTC) models. Developed entirely in Python and PyTorch, it offers a fast, user-friendly, and extensible alternative to traditional C++, CUDA, or WFST-based decoders. The toolkit features a high-performance, fully batched GPU implementation with eliminated CPU-GPU synchronization and minimized kernel launch overhead via CUDA Graphs. It also supports advanced contextualization techniques, including GPU-powered N-gram language model fusion and phrase-level boosting. These features enable accurate and efficient decoding, making them suitable for both research and production use.

Finding scientifically interesting phenomena through slow, manual labeling campaigns severely limits our ability to explore the billions of galaxy images produced by telescopes. In this work, we develop a pipeline to create a semantic search engine from completely unlabeled image data. Our method leverages Vision-Language Models (VLMs) to generate descriptions for galaxy images, then contrastively aligns a pre-trained multimodal astronomy foundation model with these embedded descriptions to produce searchable embeddings at scale. We find that current VLMs provide descriptions that are sufficiently informative to train a semantic search model that outperforms direct image similarity search. Our model, AION-Search, achieves state-of-the-art zero-shot performance on finding rare phenomena despite training on randomly selected images with no deliberate curation for rare cases. Furthermore, we introduce a VLM-based re-ranking method that nearly doubles the recall for our most challenging targets in the top-100 results. For the first time, AION-Search enables flexible semantic search scalable to 140 million galaxy images, enabling discovery from previously infeasible searches. More broadly, our work provides an approach for making large, unlabeled scientific image archives semantically searchable, expanding data exploration capabilities in fields from Earth observation to microscopy. The code, data, and app are publicly available at https://github.com/NolanKoblischke/AION-Search

In reasoning about sequential events it is natural to pose probabilistic queries such as "when will event A occur next" or "what is the probability of A occurring before B", with applications in areas such as user modeling, medicine, and finance. However, with machine learning shifting towards neural autoregressive models such as RNNs and transformers, probabilistic querying has been largely restricted to simple cases such as next-event prediction. This is in part due to the fact that future querying involves marginalization over large path spaces, which is not straightforward to do efficiently in such models. In this paper we introduce a general typology for predictive queries in neural autoregressive sequence models and show that such queries can be systematically represented by sets of elementary building blocks. We leverage this typology to develop new query estimation methods based on beam search, importance sampling, and hybrids. Across four large-scale sequence datasets from different application domains, as well as for the GPT-2 language model, we demonstrate the ability to make query answering tractable for arbitrary queries in exponentially-large predictive path-spaces, and find clear differences in cost-accuracy tradeoffs between search and sampling methods.

Tree search has become as a representative framework for test-time reasoning with large language models (LLMs), exemplified by methods such as Tree-of-Thought and Monte Carlo Tree Search that explore multiple reasoning paths. However, it remains difficult to provide instant and reliable quantitative assessments of intermediate reasoning step quality, and extensive path exploration is computationally costly. To address this, we propose Mutual Information Tree Search (MITS), a novel framework that guides reasoning with information-theoretic principles. MITS introduces an effective scoring function based on pointwise mutual information (PMI), which enables step-wise evaluation of reasoning paths and search tree expansion via beam search without expensive look-ahead simulations, achieving superior reasoning performances while maintaining computational efficiency. The framework is complemented by an entropy-based dynamic sampling strategy that adaptively allocates computational resources to uncertain reasoning steps where exploration is most beneficial. For final prediction, MITS employs a weighted voting scheme that combines PMI scores with prediction consensus. Through comprehensive experiments on diverse reasoning benchmarks, MITS consistently surpasses baseline methods, establishing a principled and efficient framework for LLM reasoning.

Minimum Bayes risk (MBR) decoding outputs the hypothesis with the highest expected utility over the model distribution for some utility function. It has been shown to improve accuracy over beam search in conditional language generation problems and especially neural machine translation, in both human and automatic evaluations. However, the standard sampling-based algorithm for MBR is substantially more computationally expensive than beam search, requiring a large number of samples as well as a quadratic number of calls to the utility function, limiting its applicability. We describe an algorithm for MBR which gradually grows the number of samples used to estimate the utility while pruning hypotheses that are unlikely to have the highest utility according to confidence estimates obtained with bootstrap sampling. Our method requires fewer samples and drastically reduces the number of calls to the utility function compared to standard MBR while being statistically indistinguishable in terms of accuracy. We demonstrate the effectiveness of our approach in experiments on three language pairs, using chrF++ and COMET as utility/evaluation metrics.

Large language models (LLMs) have recently achieved remarkable results in complex multi-step tasks, such as mathematical reasoning and agentic software engineering. However, they often struggle to maintain consistent performance across multiple solution attempts. One effective approach to narrow the gap between average-case and best-case performance is guided test-time search, which explores multiple solution paths to identify the most promising one. Unfortunately, effective search techniques (e.g. MCTS) are often unsuitable for non-serializable RL environments, such as Docker containers, where intermediate environment states cannot be easily saved and restored. We investigate two complementary search strategies applicable to such environments: 1-step lookahead and trajectory selection, both guided by a learned action-value function estimator. On the SWE-bench Verified benchmark, a key testbed for agentic software engineering, we find these methods to double the average success rate of a fine-tuned Qwen-72B model, achieving 40.8%, the new state-of-the-art for open-weights models. Additionally, we show that these techniques are transferable to more advanced closed models, yielding similar improvements with GPT-4o.

Recent advancements in large language models (LLMs) have spurred growing interest in automatic theorem proving using Lean4, where effective tree search methods are crucial for navigating proof search spaces. While the existing approaches primarily rely on value functions and Monte Carlo Tree Search (MCTS), the potential of simpler methods like Best-First Search (BFS) remains underexplored. This paper investigates whether BFS can achieve competitive performance in large-scale theorem proving tasks. We present BFS-Prover, a scalable expert iteration framework, featuring three key innovations. First, we implement strategic data filtering at each expert iteration round, excluding problems solvable via beam search node expansion to focus on harder cases. Second, we improve the sample efficiency of BFS through Direct Preference Optimization (DPO) applied to state-tactic pairs automatically annotated with compiler error feedback, refining the LLM's policy to prioritize productive expansions. Third, we employ length normalization in BFS to encourage exploration of deeper proof paths. BFS-Prover achieves a score of 71.31 on the MiniF2F test set and therefore challenges the perceived necessity of complex tree search methods, demonstrating that BFS can achieve competitive performance when properly scaled.

Reasoning is central to a wide range of intellectual activities, and while the capabilities of large language models (LLMs) continue to advance, their performance in reasoning tasks remains limited. The processes and mechanisms underlying reasoning are not yet fully understood, but key elements include path exploration, selection of relevant knowledge, and multi-step inference. Problems are solved through the synthesis of these components. In this paper, we propose a benchmark that focuses on a specific aspect of reasoning ability: the direct evaluation of multi-step inference. To this end, we design a special reasoning task where multi-step inference is specifically focused by largely eliminating path exploration and implicit knowledge utilization. Our dataset comprises pairs of explicit instructions and corresponding questions, where the procedures necessary for solving the questions are entirely detailed within the instructions. This setup allows models to solve problems solely by following the provided directives. By constructing problems that require varying numbers of steps to solve and evaluating responses at each step, we enable a thorough assessment of state-of-the-art LLMs' ability to follow instructions. To ensure the robustness of our evaluation, we include multiple distinct tasks. Furthermore, by comparing accuracy across tasks, utilizing step-aware metrics, and applying separately defined measures of complexity, we conduct experiments that offer insights into the capabilities and limitations of LLMs in reasoning tasks. Our findings have significant implications for the development of LLMs and highlight areas for future research in advancing their reasoning abilities. Our dataset is available at https://huggingface.co/datasets/ifujisawa/procbench and code at https://github.com/ifujisawa/proc-bench.

Multi-stage information retrieval (IR) has become a widely-adopted paradigm in search. While Large Language Models (LLMs) have been extensively evaluated as second-stage reranking models for monolingual IR, a systematic large-scale comparison is still lacking for cross-lingual IR (CLIR). Moreover, while prior work shows that LLM-based rerankers improve CLIR performance, their evaluation setup relies on lexical retrieval with machine translation (MT) for the first stage. This is not only prohibitively expensive but also prone to error propagation across stages. Our evaluation on passage-level and document-level CLIR reveals that further gains can be achieved with multilingual bi-encoders as first-stage retrievers and that the benefits of translation diminishes with stronger reranking models. We further show that pairwise rerankers based on instruction-tuned LLMs perform competitively with listwise rerankers. To the best of our knowledge, we are the first to study the interaction between retrievers and rerankers in two-stage CLIR with LLMs. Our findings reveal that, without MT, current state-of-the-art rerankers fall severely short when directly applied in CLIR.

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.

While many vision-language models (VLMs) are developed to answer well-defined, straightforward questions with highly specified targets, as in most benchmarks, they often struggle in practice with complex open-ended tasks, which usually require multiple rounds of exploration and reasoning in the visual space. Such visual thinking paths not only provide step-by-step exploration and verification as an AI detective but also produce better interpretations of the final answers. However, these paths are challenging to evaluate due to the large exploration space of intermediate steps. To bridge the gap, we develop an evaluation suite, ``Visual Reasoning with multi-step EXploration (V-REX)'', which is composed of a benchmark of challenging visual reasoning tasks requiring native multi-step exploration and an evaluation protocol. V-REX covers rich application scenarios across diverse domains. V-REX casts the multi-step exploratory reasoning into a Chain-of-Questions (CoQ) and disentangles VLMs' capability to (1) Planning: breaking down an open-ended task by selecting a chain of exploratory questions; and (2) Following: answering curated CoQ sequentially to collect information for deriving the final answer. By curating finite options of questions and answers per step, V-REX achieves a reliable quantitative and fine-grained analysis of the intermediate steps. By assessing SOTA proprietary and open-sourced VLMs, we reveal consistent scaling trends, significant differences between planning and following abilities, and substantial room for improvement in multi-step exploratory reasoning.

In the Lagrange-Newton method, where Newton's method is applied to a Lagrangian function that includes equality constraints, all stationary points are saddle points. It is therefore not possible to use a line-search method based on the value of the objective function; instead, the line search can operate on merit functions. In this report, we explore an alternative line-search method which is applicable to this case; it particulary addresses the damping of the step length in tight valleys. We propose a line-search criterion based on the divergence of the field of Newton step vectors. The visualization of the criterion for two-dimensional test functions reveals a network of ravines with flat bottom at the zero points of the criterion. The ravines are typically connected to stationary points. To traverse this ravine network in order to approach a stationary point, a zigzag strategy is devised. Numerical experiments demonstrate that the novel line-search strategy succeeds from most starting points in all test functions, but only exhibits the desired damping of the step length in some situations. At the present stage it is therefore difficult to appraise the utility of this contribution.

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 .

Recent research suggests that tree search algorithms (e.g. Monte Carlo Tree Search) can dramatically boost LLM performance on complex mathematical reasoning tasks. However, they often require more than 10 times the computational resources of greedy decoding due to wasteful search strategies, making them difficult to be deployed in practical applications. This study introduces a novel guided tree search algorithm with dynamic node selection and node-level exploration budget (maximum number of children) calculation to tackle this issue. By considering the search progress towards the final answer (history) and the guidance from a value network (future) trained without any step-wise annotations, our algorithm iteratively selects the most promising tree node before expanding it within the boundaries of the allocated computational budget. Experiments conducted on the GSM8K and TabMWP datasets demonstrate that our approach not only offers competitive performance but also enjoys significantly lower computational costs compared to baseline methods.

Real-world multi-modal problems are rarely solved by a single machine learning model, and often require multi-step computational plans that involve stitching several models. Tool-augmented LLMs hold tremendous promise for automating the generation of such computational plans. However, the lack of standardized benchmarks for evaluating LLMs as planners for multi-step multi-modal tasks has prevented a systematic study of planner design decisions. Should LLMs generate a full plan in a single shot or step-by-step? Should they invoke tools directly with Python code or through structured data formats like JSON? Does feedback improve planning? To answer these questions and more, we introduce m&m's: a benchmark containing 4K+ multi-step multi-modal tasks involving 33 tools that include multi-modal models, (free) public APIs, and image processing modules. For each of these task queries, we provide automatically generated plans using this realistic toolset. We further provide a high-quality subset of 1,565 task plans that are human-verified and correctly executable. With m&m's, we evaluate 6 popular LLMs with 2 planning strategies (multi-step vs. step-by-step planning), 2 plan formats (JSON vs. code), and 3 types of feedback (parsing/verification/execution). Finally, we summarize takeaways from our extensive experiments. Our dataset and code are available on HuggingFace (https://huggingface.co/datasets/zixianma/mnms) and Github (https://github.com/RAIVNLab/mnms).

Generating knowledge-intensive and comprehensive long texts, such as encyclopedia articles, remains significant challenges for Large Language Models. It requires not only the precise integration of facts but also the maintenance of thematic coherence throughout the article. Existing methods, such as direct generation and multi-agent discussion, often struggle with issues like hallucinations, topic incoherence, and significant latency. To address these challenges, we propose RAPID, an efficient retrieval-augmented long text generation framework. RAPID consists of three main modules: (1) Retrieval-augmented preliminary outline generation to reduce hallucinations, (2) Attribute-constrained search for efficient information discovery, (3) Plan-guided article generation for enhanced coherence. Extensive experiments on our newly compiled benchmark dataset, FreshWiki-2024, demonstrate that RAPID significantly outperforms state-of-the-art methods across a wide range of evaluation metrics (e.g. long-text generation, outline quality, latency, etc). Our work provides a robust and efficient solution to the challenges of automated long-text generation.

Neural Architecture Search (NAS) has been widely adopted to design accurate and efficient image classification models. However, applying NAS to a new computer vision task still requires a huge amount of effort. This is because 1) previous NAS research has been over-prioritized on image classification while largely ignoring other tasks; 2) many NAS works focus on optimizing task-specific components that cannot be favorably transferred to other tasks; and 3) existing NAS methods are typically designed to be "proxyless" and require significant effort to be integrated with each new task's training pipelines. To tackle these challenges, we propose FBNetV5, a NAS framework that can search for neural architectures for a variety of vision tasks with much reduced computational cost and human effort. Specifically, we design 1) a search space that is simple yet inclusive and transferable; 2) a multitask search process that is disentangled with target tasks' training pipeline; and 3) an algorithm to simultaneously search for architectures for multiple tasks with a computational cost agnostic to the number of tasks. We evaluate the proposed FBNetV5 targeting three fundamental vision tasks -- image classification, object detection, and semantic segmentation. Models searched by FBNetV5 in a single run of search have outperformed the previous stateof-the-art in all the three tasks: image classification (e.g., +1.3% ImageNet top-1 accuracy under the same FLOPs as compared to FBNetV3), semantic segmentation (e.g., +1.8% higher ADE20K val. mIoU than SegFormer with 3.6x fewer FLOPs), and object detection (e.g., +1.1% COCO val. mAP with 1.2x fewer FLOPs as compared to YOLOX).

We introduce a novel meme generation system, which given any image can produce a humorous and relevant caption. Furthermore, the system can be conditioned on not only an image but also a user-defined label relating to the meme template, giving a handle to the user on meme content. The system uses a pretrained Inception-v3 network to return an image embedding which is passed to an attention-based deep-layer LSTM model producing the caption - inspired by the widely recognised Show and Tell Model. We implement a modified beam search to encourage diversity in the captions. We evaluate the quality of our model using perplexity and human assessment on both the quality of memes generated and whether they can be differentiated from real ones. Our model produces original memes that cannot on the whole be differentiated from real ones.

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.

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.

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.

In this paper, we propose Superlinear attention, a fully trainable multi-step attention architecture that achieves subquadratic complexity for long sequences while preserving random context access (a.k.a.\ structural non-exclusion): no eligible token position is structurally excluded from being selected for attention. Superlinear attention reformulates standard causal self-attention as a multi-step search problem with N steps, yielding an overall complexity of O(L^{1+1{N}}). To illustrate the architecture, we present a baseline N=2 implementation, which is algorithmically analogous to standard jump search. In this O(L^{3/2}) instantiation, the first step performs O(L^{3/2}) span-search to select relevant spans of the sequence, and the second step applies O(L^{3/2}) span-attention (standard attention restricted to the selected spans). In an upscaled O(L^{1.54}) configuration for robustness, we achieve an average decoding throughput of 114 tokens/sec at 1M context length and 80 tokens/sec at 10M context in our implementation on a modified 30B hybrid MoE model on a single B200 GPU. With limited training, we also obtain strong performance on the NIAH (Needle In A Haystack) task up to 256K context length, demonstrating that the routed span selection is learnable end-to-end. This paper emphasizes architectural formulation, scaling analysis, and systems feasibility, and presents initial validation; comprehensive quality evaluations across diverse long-context tasks are left to future work.

Multi-vector dense retrieval methods like ColBERT systematically use a single-layer linear projection to reduce the dimensionality of individual vectors. In this study, we explore the implications of the MaxSim operator on the gradient flows of the training of multi-vector models and show that such a simple linear projection has inherent, if non-critical, limitations in this setting. We then discuss the theoretical improvements that could result from replacing this single-layer projection with well-studied alternative feedforward linear networks (FFN), such as deeper, non-linear FFN blocks, GLU blocks, and skip-connections, could alleviate these limitations. Through the design and systematic evaluation of alternate projection blocks, we show that better-designed final projections positively impact the downstream performance of ColBERT models. We highlight that many projection variants outperform the original linear projections, with the best-performing variants increasing average performance on a range of retrieval benchmarks across domains by over 2 NDCG@10 points. We then conduct further exploration on the individual parameters of these projections block in order to understand what drives this empirical performance, highlighting the particular importance of upscaled intermediate projections and residual connections. As part of these ablation studies, we show that numerous suboptimal projection variants still outperform the traditional single-layer projection across multiple benchmarks, confirming our hypothesis. Finally, we observe that this effect is consistent across random seeds, further confirming that replacing the linear layer of ColBERT models is a robust, drop-in upgrade.

The potential of applying diffusion models (DMs) for multiple antenna communications is discussed. A unified framework of applying DM for multiple antenna tasks is first proposed. Then, the tasks are innovatively divided into two categories, i.e., decision-making tasks and generation tasks, depending on whether an optimization of system parameters is involved. For each category, it is conceived 1) how the framework can be used for each task and 2) why the DM is superior to traditional artificial intelligence (TAI) and conventional optimization tasks. It is highlighted that the DMs are well-suited for scenarios with strong interference and noise, excelling in modeling complex data distribution and exploring better actions. A case study of learning beamforming with a DM is then provided, to demonstrate the superiority of the DMs with simulation results. Finally, the applications of DM for emerging multiple antenna technologies and promising research directions are discussed.

Hypergraphs offer a powerful framework for modeling higher-order interactions that traditional pairwise graphs cannot fully capture. However, practical constraints often lead to their simplification into projected graphs, resulting in substantial information loss and ambiguity in representing higher-order relationships. In this work, we propose MARIOH, a supervised approach for reconstructing the original hypergraph from its projected graph by leveraging edge multiplicity. To overcome the difficulties posed by the large search space, MARIOH integrates several key ideas: (a) identifying provable size-2 hyperedges, which reduces the candidate search space, (b) predicting the likelihood of candidates being hyperedges by utilizing both structural and multiplicity-related features, and (c) not only targeting promising hyperedge candidates but also examining less confident ones to explore alternative possibilities. Together, these ideas enable MARIOH to efficiently and effectively explore the search space. In our experiments using 10 real-world datasets, MARIOH achieves up to 74.51% higher reconstruction accuracy compared to state-of-the-art methods.

Motivated by reducing the computational and storage costs of LLMs, model compression and KV cache compression have attracted much attention from researchers. However, current methods predominantly emphasize maintaining the performance of compressed LLMs, as measured by perplexity or simple accuracy on tasks of common sense knowledge QA and basic arithmetic reasoning. In this blog, we present a brief review of recent advancements in LLMs related to retrieval-augmented generation, multi-step reasoning, external tools, and computational expressivity, all of which substantially enhance LLM performance. Then, we propose a lottery LLM hypothesis suggesting that for a given LLM and task, there exists a smaller lottery LLM capable of producing the same performance as the original LLM with the assistance of multi-step reasoning and external tools. Based on the review of current progress in LLMs, we discuss and summarize the essential capabilities that the lottery LLM and KV cache compression must possess, which are currently overlooked in existing methods.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x in R^d per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality epsilon-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5times fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

Large language model (LLM) agents have demonstrated strong capabilities across diverse domains. However, designing high-performing agentic systems remains challenging. Existing agent search methods suffer from three major limitations: (1) an emphasis on optimizing agentic workflows while under-utilizing proven human-designed components such as memory, planning, and tool use; (2) high evaluation costs, as each newly generated agent must be fully evaluated on benchmarks; and (3) inefficient search in large search space. In this work, we introduce a comprehensive framework to address these challenges. First, We propose a hierarchical search space that jointly models agentic workflow and composable functional components, enabling richer agentic system designs. Building on this structured design space, we introduce a predictive value model that estimates agent performance given agentic system and task description, allowing for efficient, low-cost evaluation during the search process. Finally, we present a hierarchical Monte Carlo Tree Search (MCTS) strategy informed by uncertainty to guide the search. Experiments on seven benchmarks, covering embodied, math, web, tool, and game, show that our method achieves an average performance gain of 8.34\% over state-of-the-art baselines and exhibits faster search progress with steeper improvement trajectories. Code repo is available at https://github.com/Ericccc02/AgentSwift.

The end-to-end nature of neural machine translation (NMT) removes many ways of manually guiding the translation process that were available in older paradigms. Recent work, however, has introduced a new capability: lexically constrained or guided decoding, a modification to beam search that forces the inclusion of pre-specified words and phrases in the output. However, while theoretically sound, existing approaches have computational complexities that are either linear (Hokamp and Liu, 2017) or exponential (Anderson et al., 2017) in the number of constraints. We present a algorithm for lexically constrained decoding with a complexity of O(1) in the number of constraints. We demonstrate the algorithms remarkable ability to properly place these constraints, and use it to explore the shaky relationship between model and BLEU scores. Our implementation is available as part of Sockeye.

LLMs exhibit advanced reasoning capabilities, offering the potential to transform natural language questions into mathematical models. However, existing open-source datasets in operations research domain lack detailed annotations of the modeling process, such as variable definitions, focusing solely on objective values, which hinders reinforcement learning applications. To address this, we release the StructuredOR dataset, annotated with comprehensive labels that capture the complete mathematical modeling process. We further propose BPP-Search, a algorithm that integrates reinforcement learning into a tree-of-thought structure using Beam search, a Process reward model, and a pairwise Preference algorithm. This approach enables efficient exploration of tree structures, avoiding exhaustive search while improving accuracy. Extensive experiments on StructuredOR, NL4OPT, and MAMO-ComplexLP datasets show that BPP-Search significantly outperforms state-of-the-art methods. In tree-based reasoning, BPP-Search excels in accuracy and efficiency, enabling faster retrieval of correct solutions.

Search intelligence is evolving from Deep Research to Wide Research, a paradigm essential for retrieving and synthesizing comprehensive information under complex constraints in parallel. However, progress in this field is impeded by the lack of dedicated benchmarks and optimization methodologies for search breadth. To address these challenges, we take a deep dive into Wide Research from two perspectives: Data Pipeline and Agent Optimization. First, we produce WideSeekBench, a General Broad Information Seeking (GBIS) benchmark constructed via a rigorous multi-phase data pipeline to ensure diversity across the target information volume, logical constraints, and domains. Second, we introduce WideSeek, a dynamic hierarchical multi-agent architecture that can autonomously fork parallel sub-agents based on task requirements. Furthermore, we design a unified training framework that linearizes multi-agent trajectories and optimizes the system using end-to-end RL. Experimental results demonstrate the effectiveness of WideSeek and multi-agent RL, highlighting that scaling the number of agents is a promising direction for advancing the Wide Research paradigm.

Recent advances in DeepResearch-style agents have demonstrated strong capabilities in autonomous information acquisition and synthesize from real-world web environments. However, existing approaches remain fundamentally limited to text modality. Extending autonomous information-seeking agents to multimodal settings introduces critical challenges: the specialization-generalization trade-off that emerges when training models for multimodal tool-use at scale, and the severe scarcity of training data capturing complex, multi-step multimodal search trajectories. To address these challenges, we propose M^3Searcher, a modular multimodal information-seeking agent that explicitly decouples information acquisition from answer derivation. M^3Searcher is optimized with a retrieval-oriented multi-objective reward that jointly encourages factual accuracy, reasoning soundness, and retrieval fidelity. In addition, we develop MMSearchVQA, a multimodal multi-hop dataset to support retrieval centric RL training. Experimental results demonstrate that M^3Searcher outperforms existing approaches, exhibits strong transfer adaptability and effective reasoning in complex multimodal tasks.

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.

Humans can effortlessly locate desired objects in cluttered environments, relying on a cognitive mechanism known as visual search to efficiently filter out irrelevant information and focus on task-related regions. Inspired by this process, we propose Dyfo (Dynamic Focus), a training-free dynamic focusing visual search method that enhances fine-grained visual understanding in large multimodal models (LMMs). Unlike existing approaches which require additional modules or data collection, Dyfo leverages a bidirectional interaction between LMMs and visual experts, using a Monte Carlo Tree Search (MCTS) algorithm to simulate human-like focus adjustments. This enables LMMs to focus on key visual regions while filtering out irrelevant content, without introducing additional training caused by vocabulary expansion or the integration of specialized localization modules. Experimental results demonstrate that Dyfo significantly improves fine-grained visual understanding and reduces hallucination issues in LMMs, achieving superior performance across both fixed and dynamic resolution models. The code is available at https://github.com/PKU-ICST-MIPL/DyFo_CVPR2025

Learned multivector representations power modern search systems with strong retrieval effectiveness, but their real-world use is limited by the high cost of exhaustive token-level retrieval. Therefore, most systems adopt a gather-and-refine strategy, where a lightweight gather phase selects candidates for full scoring. However, this approach requires expensive searches over large token-level indexes and often misses the documents that would rank highest under full similarity. In this paper, we reproduce several state-of-the-art multivector retrieval methods on two publicly available datasets, providing a clear picture of the current multivector retrieval field and observing the inefficiency of token-level gathering. Building on top of that, we show that replacing the token-level gather phase with a single-vector document retriever -- specifically, a learned sparse retriever (LSR) -- produces a smaller and more semantically coherent candidate set. This recasts the gather-and-refine pipeline into the well-established two-stage retrieval architecture. As retrieval latency decreases, query encoding with two neural encoders becomes the dominant computational bottleneck. To mitigate this, we integrate recent inference-free LSR methods, demonstrating that they preserve the retrieval effectiveness of the dual-encoder pipeline while substantially reducing query encoding time. Finally, we investigate multiple reranking configurations that balance efficiency, memory, and effectiveness, and we introduce two optimization techniques that prune low-quality candidates early. Empirical results show that these techniques improve retrieval efficiency by up to 1.8times with no loss in quality. Overall, our two-stage approach achieves over 24times speedup over the state-of-the-art multivector retrieval systems, while maintaining comparable or superior retrieval quality.

Automated Theorem Proving (ATP) in formal languages remains a formidable challenge in AI, demanding rigorous logical deduction and navigating vast search spaces. While large language models (LLMs) have shown promising performance, existing stepwise provers often suffer from biased search guidance, leading to inefficiencies and suboptimal proof strategies. This paper introduces the Multi-Perspective Search Prover (MPS-Prover), a novel stepwise ATP system designed to overcome these limitations. MPS-Prover incorporates two key innovations: a highly effective post-training data curation strategy that prunes approximately 40% of redundant training data without sacrificing performance, and a multi-perspective tree search mechanism. This search integrates a learned critic model with strategically designed heuristic rules to diversify tactic selection, prevent getting trapped in unproductive states, and enhance search robustness. Extensive evaluations demonstrate that MPS-Prover achieves state-of-the-art performance on multiple challenging benchmarks, including miniF2F and ProofNet, outperforming prior 7B parameter models. Furthermore, our analyses reveal that MPS-Prover generates significantly shorter and more diverse proofs compared to existing stepwise and whole-proof methods, highlighting its efficiency and efficacy. Our work advances the capabilities of LLM-based formal reasoning and offers a robust framework and a comprehensive analysis for developing more powerful theorem provers.

Comparing a user video to a reference how-to video is a key requirement for AR/VR technology delivering personalized assistance tailored to the user's progress. However, current approaches for language-based assistance can only answer questions about a single video. We propose an approach that first automatically generates large amounts of visual instruction tuning data involving pairs of videos from HowTo100M by leveraging existing step annotations and accompanying narrations, and then trains a video-conditioned language model to jointly reason across multiple raw videos. Our model achieves state-of-the-art performance at identifying differences between video pairs and ranking videos based on the severity of these differences, and shows promising ability to perform general reasoning over multiple videos. Project page: https://github.com/facebookresearch/stepdiff

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}

The hallucination of non-existent facts by LLMs is an important problem given its widespread adoption across various applications. Previous research addresses this problem by analyzing the internal parameterized knowledge boundaries to estimate confidence. However, these studies focus on the single-problem setting and have not explored the more challenging multi-problem setting, which requires accurately answering multiple questions simultaneously. We introduce a novel method for the multi-problem setting, Multiple Answers and Confidence Stepwise Tuning (MAC-Tuning), that separates the learning of answer prediction and confidence estimation during fine-tuning on instruction data. Extensive experiments demonstrate that our method outperforms baselines by up to 25\% in average precision.

Modern video retrieval systems are expected to handle diverse tasks ranging from corpus-level retrieval and fine-grained moment localization to flexible multimodal querying. Specialized architectures achieve strong retrieval performance by training modality-specific encoders on massive datasets, but they lack the ability to process composed multimodal queries. In contrast, multimodal LLM (MLLM)-based methods support rich multimodal search but their retrieval performance remains well below that of specialized systems. We present VIRTUE, an MLLM-based versatile video retrieval framework that integrates corpus and moment-level retrieval capabilities while accommodating composed multimodal queries within a single architecture. We use contrastive alignment of visual and textual embeddings generated using a shared MLLM backbone to facilitate efficient embedding-based candidate search. Our embedding model, trained efficiently using low-rank adaptation (LoRA) on 700K paired visual-text data samples, surpasses other MLLM-based methods on zero-shot video retrieval tasks. Additionally, we demonstrate that the same model can be adapted without further training to achieve competitive results on zero-shot moment retrieval, and state of the art results for zero-shot composed video retrieval. With additional training for reranking candidates identified in the embedding-based search, our model substantially outperforms existing MLLM-based retrieval systems and achieves retrieval performance comparable to state of the art specialized models which are trained on orders of magnitude larger data.

Scientific user facilities, such as synchrotron beamlines, are equipped with a wide array of hardware and software tools that require a codebase for human-computer-interaction. This often necessitates developers to be involved to establish connection between users/researchers and the complex instrumentation. The advent of generative AI presents an opportunity to bridge this knowledge gap, enabling seamless communication and efficient experimental workflows. Here we present a modular architecture for the Virtual Scientific Companion (VISION) by assembling multiple AI-enabled cognitive blocks that each scaffolds large language models (LLMs) for a specialized task. With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an X-ray scattering beamline. The modular and scalable architecture allows for easy adaptation to new instrument and capabilities. Development on natural language-based scientific experimentation is a building block for an impending future where a science exocortex -- a synthetic extension to the cognition of scientists -- may radically transform scientific practice and discovery.

Large language models (LLMs) have shown great promise in automating data science workflows, but existing models still struggle with multi-step reasoning and tool use, which limits their effectiveness on complex data analysis tasks. To address this, we propose a scalable pipeline that extracts high-quality, tool-based data analysis tasks and their executable multi-step solutions from real-world Jupyter notebooks and associated data files. Using this pipeline, we introduce NbQA, a large-scale dataset of standardized task-solution pairs that reflect authentic tool-use patterns in practical data science scenarios. To further enhance multi-step reasoning, we present Jupiter, a framework that formulates data analysis as a search problem and applies Monte Carlo Tree Search (MCTS) to generate diverse solution trajectories for value model learning. During inference, Jupiter combines the value model and node visit counts to efficiently collect executable multi-step plans with minimal search steps. Experimental results show that Qwen2.5-7B and 14B-Instruct models on NbQA solve 77.82% and 86.38% of tasks on InfiAgent-DABench, respectively-matching or surpassing GPT-4o and advanced agent frameworks. Further evaluations demonstrate improved generalization and stronger tool-use reasoning across diverse multi-step reasoning tasks.