Daily Papers

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.

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

Existing LLM-based agents have achieved strong performance on held-in tasks, but their generalizability to unseen tasks remains poor. Hence, some recent work focus on fine-tuning the policy model with more diverse tasks to improve the generalizability. In this work, we find that finetuning a reward model to guide the policy model is more robust than directly finetuning the policy model. Based on this finding, we propose AgentRM, a generalizable reward model, to guide the policy model for effective test-time search. We comprehensively investigate three approaches to construct the reward model, including explicit reward modeling, implicit reward modeling and LLM-as-a-judge. We then use AgentRM to guide the answer generation with Best-of-N sampling and step-level beam search. On four types of nine agent tasks, AgentRM enhances the base policy model by 8.8 points on average, surpassing the top general agent by 4.0. Moreover, it demonstrates weak-to-strong generalization, yielding greater improvement of 12.6 on LLaMA-3-70B policy model. As for the specializability, AgentRM can also boost a finetuned policy model and outperform the top specialized agent by 11.4 on three held-in tasks. Further analysis verifies its effectiveness in test-time scaling. Codes will be released to facilitate the research in this area.

Large language models have demonstrated substantial advancements in reasoning capabilities, particularly through inference-time scaling, as illustrated by models such as OpenAI's o1. However, current Vision-Language Models (VLMs) often struggle to perform systematic and structured reasoning, especially when handling complex visual question-answering tasks. In this work, we introduce LLaVA-o1, a novel VLM designed to conduct autonomous multistage reasoning. Unlike chain-of-thought prompting, LLaVA-o1 independently engages in sequential stages of summarization, visual interpretation, logical reasoning, and conclusion generation. This structured approach enables LLaVA-o1 to achieve marked improvements in precision on reasoning-intensive tasks. To accomplish this, we compile the LLaVA-o1-100k dataset, integrating samples from various visual question answering sources and providing structured reasoning annotations. Besides, we propose an inference-time stage-level beam search method, which enables effective inference-time scaling. Remarkably, with only 100k training samples and a simple yet effective inference time scaling method, LLaVA-o1 not only outperforms its base model by 8.9% on a wide range of multimodal reasoning benchmarks, but also surpasses the performance of larger and even closed-source models, such as Gemini-1.5-pro, GPT-4o-mini, and Llama-3.2-90B-Vision-Instruct.

Allocating more computation during inference time (test-time scaling) improves language model performance, especially for reasoning tasks. However, popular methods like Best-of-N sampling often show diminishing returns as N increases. To address this inefficiency, we introduce a general test-time calibration framework that adaptively modifies the model toward high-reward reasoning paths, with theoretical guarantees of improving the lower bound of expected reward under finite sampling, all without large language model (LLM) retraining. Within this framework, we propose CarBoN (Calibrated Best-of-N), a two-phase method that first explores the solution space and then learns a calibration of the logits via an input-specific temperature T and additive shift vector delta, guiding generation toward more reliable reasoning. Experiments on MATH-500 and AIME-2024 show that CarBoN improves efficiency, with up to 4times fewer rollouts to reach the same accuracy, while often achieving higher accuracy under fixed budgets. We also analyze the complementary roles of T and delta in balancing output diversity and correctness, and demonstrate that the framework also generalizes to step-level sampling strategies such as beam search. For more information, please refer to our project page at huggingface.co/spaces/TrustSafeAI/Test-Time-Calibration.

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.

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

Decoding 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.

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.

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.

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

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

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 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.

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.

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.

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.

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.

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.

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) 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.

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.

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.

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.

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.

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 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.

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

Best-of-N decoding methods instruct large language models (LLMs) to generate multiple solutions, score each using a scoring function, and select the highest scored as the final answer to mathematical reasoning problems. However, this repeated independent process often leads to the same mistakes, making the selected solution still incorrect. We propose a novel prompting method named Stepwise Correction (StepCo) that helps LLMs identify and revise incorrect steps in their generated reasoning paths. It iterates verification and revision phases that employ a process-supervised verifier. The verify-then-revise process not only improves answer correctness but also reduces token consumption with fewer paths needed to generate. With StepCo, a series of LLMs demonstrate exceptional performance. Notably, using GPT-4o as the backend LLM, StepCo achieves an average accuracy of 94.1 across eight datasets, significantly outperforming the state-of-the-art Best-of-N method by +2.4, while reducing token consumption by 77.8%.

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

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%.

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.

Despite having powerful reasoning and inference capabilities, Large Language Models (LLMs) still need external tools to acquire real-time information retrieval or domain-specific expertise to solve complex tasks, which is referred to as tool learning. Existing tool learning methods primarily rely on tuning with expert trajectories, focusing on token-sequence learning from a linguistic perspective. However, there are several challenges: 1) imitating static trajectories limits their ability to generalize to new tasks. 2) even expert trajectories can be suboptimal, and better solution paths may exist. In this work, we introduce StepTool, a novel step-grained reinforcement learning framework to improve tool learning in LLMs. It consists of two components: Step-grained Reward Shaping, which assigns rewards at each tool interaction based on tool invocation success and its contribution to the task, and Step-grained Optimization, which uses policy gradient methods to optimize the model in a multi-step manner. Experimental results demonstrate that StepTool significantly outperforms existing methods in multi-step, tool-based tasks, providing a robust solution for complex task environments. Codes are available at https://github.com/yuyq18/StepTool.

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.

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

Recent studies generally enhance MLLMs' reasoning capabilities via supervised fine-tuning on high-quality chain-of-thought reasoning data, which often leads models to merely imitate successful reasoning paths without understanding what the wrong reasoning paths are. In this work, we aim to enhance the MLLMs' reasoning ability beyond passively imitating positive reasoning paths. To this end, we design Step-wise Group Relative Policy Optimization (StepGRPO), a new online reinforcement learning framework that enables MLLMs to self-improve reasoning ability via simple, effective and dense step-wise rewarding. Specifically, StepGRPO introduces two novel rule-based reasoning rewards: Step-wise Reasoning Accuracy Reward (StepRAR) and Step-wise Reasoning Validity Reward (StepRVR). StepRAR rewards the reasoning paths that contain necessary intermediate reasoning steps via a soft key-step matching technique, while StepRAR rewards reasoning paths that follow a well-structured and logically consistent reasoning process through a reasoning completeness and logic evaluation strategy. With the proposed StepGRPO, we introduce R1-VL, a series of MLLMs with outstanding capabilities in step-by-step reasoning. Extensive experiments over 8 benchmarks demonstrate the superiority of our methods.

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.

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.

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.

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.

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

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 .

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.

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.

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.

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.

Performing tasks on the web presents fundamental challenges to large language models (LLMs), including combinatorially large open-world tasks and variations across web interfaces. Simply specifying a large prompt to handle all possible behaviors and states is extremely complex, and results in behavior leaks between unrelated behaviors. Decomposition to distinct policies can address this challenge, but requires carefully handing off control between policies. We propose Stacked LLM Policies for Web Actions (SteP), an approach to dynamically compose policies to solve a diverse set of web tasks. SteP defines a Markov Decision Process where the state is a stack of policies representing the control state, i.e., the chain of policy calls. Unlike traditional methods that are restricted to static hierarchies, SteP enables dynamic control that adapts to the complexity of the task. We evaluate SteP against multiple baselines and web environments including WebArena, MiniWoB++, and a CRM. On WebArena, SteP improves (14.9\% to 33.5\%) over SOTA that use GPT-4 policies, while on MiniWob++, SteP is competitive with prior works while using significantly less data. Our code and data are available at https://asappresearch.github.io/webagents-step.

This paper explores the problem of collision-free motion generation for manipulators by formulating it as a global motion optimization problem. We develop a parallel optimization technique to solve this problem and demonstrate its effectiveness on massively parallel GPUs. We show that combining simple optimization techniques with many parallel seeds leads to solving difficult motion generation problems within 50ms on average, 60x faster than state-of-the-art (SOTA) trajectory optimization methods. We achieve SOTA performance by combining L-BFGS step direction estimation with a novel parallel noisy line search scheme and a particle-based optimization solver. To further aid trajectory optimization, we develop a parallel geometric planner that plans within 20ms and also introduce a collision-free IK solver that can solve over 7000 queries/s. We package our contributions into a state of the art GPU accelerated motion generation library, cuRobo and release it to enrich the robotics community. Additional details are available at https://curobo.org

Multimodal Retrieval-Augmented Generation (MRAG) has shown promise in mitigating hallucinations in Multimodal Large Language Models (MLLMs) by incorporating external knowledge during generation. Existing MRAG methods typically adopt a static retrieval pipeline that fetches relevant information from multiple Knowledge Bases (KBs), followed by a refinement step. However, these approaches overlook the reasoning and planning capabilities of MLLMs to dynamically determine how to interact with different KBs during the reasoning process. To address this limitation, we propose R1-Router, a novel MRAG framework that learns to decide when and where to retrieve knowledge based on the evolving reasoning state. Specifically, R1-Router can generate follow-up queries according to the current reasoning step, routing these intermediate queries to the most suitable KB, and integrating external knowledge into a coherent reasoning trajectory to answer the original query. Furthermore, we introduce Step-wise Group Relative Policy Optimization (Step-GRPO), a tailored reinforcement learning algorithm that assigns step-specific rewards to optimize the reasoning behavior of MLLMs. Experimental results on various open-domain QA benchmarks across multiple modalities demonstrate that R1-Router outperforms baseline models by over 7%. Further analysis shows that R1-Router can adaptively and effectively leverage diverse KBs, reducing unnecessary retrievals and improving both efficiency and accuracy.

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.

Robotic instruction following tasks require seamless integration of visual perception, task planning, target localization, and motion execution. However, existing task planning methods for instruction following are either data-driven or underperform in zero-shot scenarios due to difficulties in grounding lengthy instructions into actionable plans under operational constraints. To address this, we propose FlowPlan, a structured multi-stage LLM workflow that elevates zero-shot pipeline and bridges the performance gap between zero-shot and data-driven in-context learning methods. By decomposing the planning process into modular stages--task information retrieval, language-level reasoning, symbolic-level planning, and logical evaluation--FlowPlan generates logically coherent action sequences while adhering to operational constraints and further extracts contextual guidance for precise instance-level target localization. Benchmarked on the ALFRED and validated in real-world applications, our method achieves competitive performance relative to data-driven in-context learning methods and demonstrates adaptability across diverse environments. This work advances zero-shot task planning in robotic systems without reliance on labeled data. Project website: https://instruction-following-project.github.io/.

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.

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.

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in cases where reward functions are non-differentiable. Some gradient-free guidance methods have been developed, but they often struggle to achieve optimal inference-time alignment. In this work, we newly frame inference-time alignment in diffusion as a search problem and propose Dynamic Search for Diffusion (DSearch), which subsamples from denoising processes and approximates intermediate node rewards. It also dynamically adjusts beam width and tree expansion to efficiently explore high-reward generations. To refine intermediate decisions, DSearch incorporates adaptive scheduling based on noise levels and a lookahead heuristic function. We validate DSearch across multiple domains, including biological sequence design, molecular optimization, and image generation, demonstrating superior reward optimization compared to existing approaches.

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.

There is growing interest in searching for information from large video corpora. Prior works have studied relevant tasks, such as text-based video retrieval, moment retrieval, video summarization, and video captioning in isolation, without an end-to-end setup that can jointly search from video corpora and generate summaries. Such an end-to-end setup would allow for many interesting applications, e.g., a text-based search that finds a relevant video from a video corpus, extracts the most relevant moment from that video, and segments the moment into important steps with captions. To address this, we present the HiREST (HIerarchical REtrieval and STep-captioning) dataset and propose a new benchmark that covers hierarchical information retrieval and visual/textual stepwise summarization from an instructional video corpus. HiREST consists of 3.4K text-video pairs from an instructional video dataset, where 1.1K videos have annotations of moment spans relevant to text query and breakdown of each moment into key instruction steps with caption and timestamps (totaling 8.6K step captions). Our hierarchical benchmark consists of video retrieval, moment retrieval, and two novel moment segmentation and step captioning tasks. In moment segmentation, models break down a video moment into instruction steps and identify start-end boundaries. In step captioning, models generate a textual summary for each step. We also present starting point task-specific and end-to-end joint baseline models for our new benchmark. While the baseline models show some promising results, there still exists large room for future improvement by the community. Project website: https://hirest-cvpr2023.github.io

In machine learning applications, it is well known that carefully designed learning rate (step size) schedules can significantly improve the convergence of commonly used first-order optimization algorithms. Therefore how to set step size adaptively becomes an important research question. A popular and effective method is the Polyak step size, which sets step size adaptively for gradient descent or stochastic gradient descent without the need to estimate the smoothness parameter of the objective function. However, there has not been a principled way to generalize the Polyak step size for algorithms with momentum accelerations. This paper presents a general framework to set the learning rate adaptively for first-order optimization methods with momentum, motivated by the derivation of Polyak step size. It is shown that the resulting methods are much less sensitive to the choice of momentum parameter and may avoid the oscillation of the heavy-ball method on ill-conditioned problems. These adaptive step sizes are further extended to the stochastic settings, which are attractive choices for stochastic gradient descent with momentum. Our methods are demonstrated to be more effective for stochastic gradient methods than prior adaptive step size algorithms in large-scale machine learning tasks.

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.

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}

We present a compact design of dual-beam Zeeman slower optimized for efficient production of cold atom applications. Traditional single-beam configurations face challenges from substantial residual atomic flux impacting downstream optical windows, resulting in increased system size, atomic deposition contamination, and a reduced operational lifetime. Our approach employs two oblique laser beams and a capillary-array collimation system to address these challenges while maintaining efficient deceleration. For rubidium (^{87}Rb), simulations demonstrate a significant increase in the fraction of atoms captured by a two-dimensional magneto-optical trap (2D-MOT) and nearly eliminate atom-induced contamination probability at optical windows, all within a compact Zeeman slower length of 44 cm. Experimental validation with Rb and Yb demonstrates highly efficient atomic loading within the same compact design. This advancement represents a substantial improvement for high-flux cold atom applications, providing reliable performance for high-precision metrology, quantum computation and simulation.

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

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.

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.

Recent large language model (LLM) reasoning, despite its success, suffers from limited domain knowledge, susceptibility to hallucinations, and constrained reasoning depth, particularly in small-scale models deployed in resource-constrained environments. This paper presents the first investigation into integrating step-wise knowledge graph retrieval with step-wise reasoning to address these challenges, introducing a novel paradigm termed as graph-augmented reasoning. Our goal is to enable frozen, small-scale LLMs to retrieve and process relevant mathematical knowledge in a step-wise manner, enhancing their problem-solving abilities without additional training. To this end, we propose KG-RAR, a framework centered on process-oriented knowledge graph construction, a hierarchical retrieval strategy, and a universal post-retrieval processing and reward model (PRP-RM) that refines retrieved information and evaluates each reasoning step. Experiments on the Math500 and GSM8K benchmarks across six models demonstrate that KG-RAR yields encouraging results, achieving a 20.73\% relative improvement with Llama-3B on Math500.

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.

Post-training, particularly reinforcement learning (RL) using self-play-generated data, has become a new learning paradigm for large language models (LLMs). However, scaling RL to develop a general reasoner remains a research challenge, as existing methods focus on task-specific reasoning without adequately addressing generalization across a broader range of tasks. Moreover, unlike traditional RL with limited action space, LLMs operate in an infinite space, making it crucial to search for valuable and diverse strategies to solve problems effectively. To address this, we propose searching within the action space on high-level abstract plans to enhance model generalization and introduce Critical Plan Step Learning (CPL), comprising: 1) searching on plan, using Monte Carlo Tree Search (MCTS) to explore diverse plan steps in multi-step reasoning tasks, and 2) learning critical plan steps through Step-level Advantage Preference Optimization (Step-APO), which integrates advantage estimates for step preference obtained via MCTS into Direct Preference Optimization (DPO). This combination helps the model effectively learn critical plan steps, enhancing both reasoning capabilities and generalization. Experimental results demonstrate that our method, trained exclusively on GSM8K and MATH, not only significantly improves performance on GSM8K (+10.5%) and MATH (+6.5%), but also enhances out-of-domain reasoning benchmarks, such as HumanEval (+12.2%), GPQA (+8.6%), ARC-C (+4.0%), MMLU-STEM (+2.2%), and BBH (+1.8%).

Differentiable architecture search (DARTS) provided a fast solution in finding effective network architectures, but suffered from large memory and computing overheads in jointly training a super-network and searching for an optimal architecture. In this paper, we present a novel approach, namely, Partially-Connected DARTS, by sampling a small part of super-network to reduce the redundancy in exploring the network space, thereby performing a more efficient search without comprising the performance. In particular, we perform operation search in a subset of channels while bypassing the held out part in a shortcut. This strategy may suffer from an undesired inconsistency on selecting the edges of super-net caused by sampling different channels. We alleviate it using edge normalization, which adds a new set of edge-level parameters to reduce uncertainty in search. Thanks to the reduced memory cost, PC-DARTS can be trained with a larger batch size and, consequently, enjoys both faster speed and higher training stability. Experimental results demonstrate the effectiveness of the proposed method. Specifically, we achieve an error rate of 2.57% on CIFAR10 with merely 0.1 GPU-days for architecture search, and a state-of-the-art top-1 error rate of 24.2% on ImageNet (under the mobile setting) using 3.8 GPU-days for search. Our code has been made available at: https://github.com/yuhuixu1993/PC-DARTS.

Recently, large reasoning models have demonstrated strong mathematical and coding abilities, and deep search leverages their reasoning capabilities in challenging information retrieval tasks. Existing deep search works are generally limited to a single knowledge source, either local or the Web. However, enterprises often require private deep search systems that can leverage search tools over both local and the Web corpus. Simply training an agent equipped with multiple search tools using flat reinforcement learning (RL) is a straightforward idea, but it has problems such as low training data efficiency and poor mastery of complex tools. To address the above issue, we propose a hierarchical agentic deep search framework, HierSearch, trained with hierarchical RL. At the low level, a local deep search agent and a Web deep search agent are trained to retrieve evidence from their corresponding domains. At the high level, a planner agent coordinates low-level agents and provides the final answer. Moreover, to prevent direct answer copying and error propagation, we design a knowledge refiner that filters out hallucinations and irrelevant evidence returned by low-level agents. Experiments show that HierSearch achieves better performance compared to flat RL, and outperforms various deep search and multi-source retrieval-augmented generation baselines in six benchmarks across general, finance, and medical domains.

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.

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning fields. The validity of existing works heavily rely on either a restrictive Lower- Level Strong Convexity (LLSC) condition or on solving a series of approximation subproblems with high accuracy or both. In this work, by averaging the upper and lower level objectives, we propose a single loop Bi-level Averaged Method of Multipliers (sl-BAMM) for BLO that is simple yet efficient for large-scale BLO and gets rid of the limited LLSC restriction. We further provide non-asymptotic convergence analysis of sl-BAMM towards KKT stationary points, and the comparative advantage of our analysis lies in the absence of strong gradient boundedness assumption, which is always required by others. Thus our theory safely captures a wider variety of applications in deep learning, especially where the upper-level objective is quadratic w.r.t. the lower-level variable. Experimental results demonstrate the superiority of our method.

We present Step-Back Prompting, a simple prompting technique that enables LLMs to do abstractions to derive high-level concepts and first principles from instances containing specific details. Using the concepts and principles to guide the reasoning steps, LLMs significantly improve their abilities in following a correct reasoning path towards the solution. We conduct experiments of Step-Back Prompting with PaLM-2L models and observe substantial performance gains on a wide range of challenging reasoning-intensive tasks including STEM, Knowledge QA, and Multi-Hop Reasoning. For instance, Step-Back Prompting improves PaLM-2L performance on MMLU Physics and Chemistry by 7% and 11%, TimeQA by 27%, and MuSiQue by 7%.

Sparse roadmaps are important to compactly represent state spaces, to determine problems to be infeasible and to terminate in finite time. However, sparse roadmaps do not scale well to high-dimensional planning problems. In prior work, we showed improved planning performance on high-dimensional planning problems by using multilevel abstractions to simplify state spaces. In this work, we generalize sparse roadmaps to multilevel abstractions by developing a novel algorithm, the sparse multilevel roadmap planner (SMLR). To this end, we represent multilevel abstractions using the language of fiber bundles, and generalize sparse roadmap planners by using the concept of restriction sampling with visibility regions. We argue SMLR to be probabilistically complete and asymptotically near-optimal by inheritance from sparse roadmap planners. In evaluations, we outperform sparse roadmap planners on challenging planning problems, in particular problems which are high-dimensional, contain narrow passages or are infeasible. We thereby demonstrate sparse multilevel roadmaps as an efficient tool for feasible and infeasible high-dimensional planning problems.

This paper tackles the challenge of autonomous target search using unmanned aerial vehicles (UAVs) in complex unknown environments. To fill the gap in systematic approaches for this task, we introduce Star-Searcher, an aerial system featuring specialized sensor suites, mapping, and planning modules to optimize searching. Path planning challenges due to increased inspection requirements are addressed through a hierarchical planner with a visibility-based viewpoint clustering method. This simplifies planning by breaking it into global and local sub-problems, ensuring efficient global and local path coverage in real-time. Furthermore, our global path planning employs a history-aware mechanism to reduce motion inconsistency from frequent map changes, significantly enhancing search efficiency. We conduct comparisons with state-of-the-art methods in both simulation and the real world, demonstrating shorter flight paths, reduced time, and higher target search completeness. Our approach will be open-sourced for community benefit at https://github.com/SYSU-STAR/STAR-Searcher.

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.

Given a K-vertex simplex in a d-dimensional space, suppose we measure n points on the simplex with noise (hence, some of the observed points fall outside the simplex). Vertex hunting is the problem of estimating the K vertices of the simplex. A popular vertex hunting algorithm is successive projection algorithm (SPA). However, SPA is observed to perform unsatisfactorily under strong noise or outliers. We propose pseudo-point SPA (pp-SPA). It uses a projection step and a denoise step to generate pseudo-points and feed them into SPA for vertex hunting. We derive error bounds for pp-SPA, leveraging on extreme value theory of (possibly) high-dimensional random vectors. The results suggest that pp-SPA has faster rates and better numerical performances than SPA. Our analysis includes an improved non-asymptotic bound for the original SPA, which is of independent interest.

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.

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

At high-energy collider experiments, generative models can be used for a wide range of tasks, including fast detector simulations, unfolding, searches of physics beyond the Standard Model, and inference tasks. In particular, it has been demonstrated that score-based diffusion models can generate high-fidelity and accurate samples of jets or collider events. This work expands on previous generative models in three distinct ways. First, our model is trained to generate entire collider events, including all particle species with complete kinematic information. We quantify how well the model learns event-wide constraints such as the conservation of momentum and discrete quantum numbers. We focus on the events at the future Electron-Ion Collider, but we expect that our results can be extended to proton-proton and heavy-ion collisions. Second, previous generative models often relied on image-based techniques. The sparsity of the data can negatively affect the fidelity and sampling time of the model. We address these issues using point clouds and a novel architecture combining edge creation with transformer modules called Point Edge Transformers. Third, we adapt the foundation model OmniLearn, to generate full collider events. This approach may indicate a transition toward adapting and fine-tuning foundation models for downstream tasks instead of training new models from scratch.

Albeit being a prevalent architecture searching approach, differentiable architecture search (DARTS) is largely hindered by its substantial memory cost since the entire supernet resides in the memory. This is where the single-path DARTS comes in, which only chooses a single-path submodel at each step. While being memory-friendly, it also comes with low computational costs. Nonetheless, we discover a critical issue of single-path DARTS that has not been primarily noticed. Namely, it also suffers from severe performance collapse since too many parameter-free operations like skip connections are derived, just like DARTS does. In this paper, we propose a new algorithm called RObustifying Memory-Efficient NAS (ROME) to give a cure. First, we disentangle the topology search from the operation search to make searching and evaluation consistent. We then adopt Gumbel-Top2 reparameterization and gradient accumulation to robustify the unwieldy bi-level optimization. We verify ROME extensively across 15 benchmarks to demonstrate its effectiveness and robustness.

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.

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

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

Humans rely on the synergistic control of head (cephalomotor) and eye (oculomotor) to efficiently search for visual information in 360°. However, prior approaches to visual search are limited to a static image, neglecting the physical embodiment and its interaction with the 3D world. How can we develop embodied visual search agents as efficient as humans while bypassing the constraints imposed by real-world hardware? To this end, we propose humanoid visual search where a humanoid agent actively rotates its head to search for objects or paths in an immersive world represented by a 360° panoramic image. To study visual search in visually-crowded real-world scenarios, we build H* Bench, a new benchmark that moves beyond household scenes to challenging in-the-wild scenes that necessitate advanced visual-spatial reasoning capabilities, such as transportation hubs, large-scale retail spaces, urban streets, and public institutions. Our experiments first reveal that even top-tier proprietary models falter, achieving only ~30% success in object and path search. We then use post-training techniques to enhance the open-source Qwen2.5-VL, increasing its success rate by over threefold for both object search (14.83% to 47.38%) and path search (6.44% to 24.94%). Notably, the lower ceiling of path search reveals its inherent difficulty, which we attribute to the demand for sophisticated spatial commonsense. Our results not only show a promising path forward but also quantify the immense challenge that remains in building MLLM agents that can be seamlessly integrated into everyday human life.

Cutting-edge large language models (LLMs) demonstrate promising performance in solving complex math problems with a divide-and-conquer pipeline and the assistance of in-context learning (ICL) examples. However, their potential for improvement is limited by two critical problems within their ICL examples: granularity-mismatch and the ensuing negative-effect noise problem. Specifically, the LLMs are capable of the dividing process yet mostly failed by inaccurate reasoning within a few conquer steps, while the ICL examples retrieved in question-grained sometimes lack relevant steps for a specific challenging reasoning step. Further, this disconnect may hinder the correct reasoning due to its irrelevance. To this end, we focus on improving the reasoning quality within each step and present BoostStep. BoostStep aligns the granularity between the retrieving and reasoning on step grained, and provides highly related ICL examples for each reasoning step with a novel `first-try' strategy. BoostStep provides more relevant examples than the coarse question-grained strategy, enhancing the model reasoning quality within each step steadily. BoostStep is a general and robust reasoning-enhancing method that not only improves standalone reasoning performance but also integrates seamlessly with Monte Carlo Tree Search methods (MCTS) to refine both candidate generation and decision-making. Quantitatively, it improves GPT-4o and Qwen2.5-Math-72B by 3.6\% and 2.0\% respectively on various mathematical benchmarks, and 7.5\% gain combined with MCTS.

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.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.

Autonomous agents powered by language models (LMs) have demonstrated promise in their ability to perform decision-making tasks such as web automation. However, a key limitation remains: LMs, primarily optimized for natural language understanding and generation, struggle with multi-step reasoning, planning, and using environmental feedback when attempting to solve realistic computer tasks. Towards addressing this, we propose an inference-time search algorithm for LM agents to explicitly perform exploration and multi-step planning in interactive web environments. Our approach is a form of best-first tree search that operates within the actual environment space, and is complementary with most existing state-of-the-art agents. It is the first tree search algorithm for LM agents that shows effectiveness on realistic web tasks. On the challenging VisualWebArena benchmark, applying our search algorithm on top of a GPT-4o agent yields a 39.7% relative increase in success rate compared to the same baseline without search, setting a state-of-the-art success rate of 26.4%. On WebArena, search also yields a 28.0% relative improvement over a baseline agent, setting a competitive success rate of 19.2%. Our experiments highlight the effectiveness of search for web agents, and we demonstrate that performance scales with increased test-time compute. We conduct a thorough analysis of our results to highlight improvements from search, limitations, and promising directions for future work. Our code and models are publicly released at https://jykoh.com/search-agents.

Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks when equipped with external tools. However, current frameworks predominantly rely on sequential processing, leading to inefficient execution particularly for tasks requiring extensive tool interaction. This paper introduces Flash-Searcher, a novel parallel agent reasoning framework that fundamentally reimagines the execution paradigm from sequential chains to directed acyclic graphs (DAGs). Flash-Searcher decomposes complex tasks into subtasks with explicit dependencies, enabling concurrent execution of independent reasoning paths while maintaining logical constraints. Through dynamic workflow optimization, our framework continuously refines the execution graph based on intermediate results, effectively integrating summary module. Comprehensive evaluations across multiple benchmarks demonstrate that Flash-Searcher consistently outperforms existing approaches. Specifically, it achieves 67.7% accuracy on BrowseComp and 83% on xbench-DeepSearch, while reducing agent execution steps by up to 35% compared to current frameworks. Furthermore, when distilling this parallel reasoning pipeline into single models, we observe substantial performance gains across diverse backbone architectures, underscoring the generalizability of our methodology. Our work thus represents a significant advance in agent architecture design, offering a more scalable and efficient paradigm for complex reasoning tasks.

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/.

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 Architecture Search (NAS) has been a source of dramatic improvements in neural network design, with recent results meeting or exceeding the performance of hand-tuned architectures. However, our understanding of how to represent the search space for neural net architectures and how to search that space efficiently are both still in their infancy. We have performed an in-depth analysis to identify limitations in a widely used search space and a recent architecture search method, Differentiable Architecture Search (DARTS). These findings led us to introduce novel network blocks with a more general, balanced, and consistent design; a better-optimized Cosine Power Annealing learning rate schedule; and other improvements. Our resulting sharpDARTS search is 50% faster with a 20-30% relative improvement in final model error on CIFAR-10 when compared to DARTS. Our best single model run has 1.93% (1.98+/-0.07) validation error on CIFAR-10 and 5.5% error (5.8+/-0.3) on the recently released CIFAR-10.1 test set. To our knowledge, both are state of the art for models of similar size. This model also generalizes competitively to ImageNet at 25.1% top-1 (7.8% top-5) error. We found improvements for existing search spaces but does DARTS generalize to new domains? We propose Differentiable Hyperparameter Grid Search and the HyperCuboid search space, which are representations designed to leverage DARTS for more general parameter optimization. Here we find that DARTS fails to generalize when compared against a human's one shot choice of models. We look back to the DARTS and sharpDARTS search spaces to understand why, and an ablation study reveals an unusual generalization gap. We finally propose Max-W regularization to solve this problem, which proves significantly better than the handmade design. Code will be made available.

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.

To perform autonomous visual search for environmental monitoring, a robot may leverage satellite imagery as a prior map. This can help inform coarse, high-level search and exploration strategies, even when such images lack sufficient resolution to allow fine-grained, explicit visual recognition of targets. However, there are some challenges to overcome with using satellite images to direct visual search. For one, targets that are unseen in satellite images are underrepresented (compared to ground images) in most existing datasets, and thus vision models trained on these datasets fail to reason effectively based on indirect visual cues. Furthermore, approaches which leverage large Vision Language Models (VLMs) for generalization may yield inaccurate outputs due to hallucination, leading to inefficient search. To address these challenges, we introduce Search-TTA, a multimodal test-time adaptation framework that can accept text and/or image input. First, we pretrain a remote sensing image encoder to align with CLIP's visual encoder to output probability distributions of target presence used for visual search. Second, our framework dynamically refines CLIP's predictions during search using a test-time adaptation mechanism. Through a feedback loop inspired by Spatial Poisson Point Processes, gradient updates (weighted by uncertainty) are used to correct (potentially inaccurate) predictions and improve search performance. To validate Search-TTA's performance, we curate a visual search dataset based on internet-scale ecological data. We find that Search-TTA improves planner performance by up to 9.7%, particularly in cases with poor initial CLIP predictions. It also achieves comparable performance to state-of-the-art VLMs. Finally, we deploy Search-TTA on a real UAV via hardware-in-the-loop testing, by simulating its operation within a large-scale simulation that provides onboard sensing.

Recently, Direct Preference Optimization (DPO) has extended its success from aligning large language models (LLMs) to aligning text-to-image diffusion models with human preferences. Unlike most existing DPO methods that assume all diffusion steps share a consistent preference order with the final generated images, we argue that this assumption neglects step-specific denoising performance and that preference labels should be tailored to each step's contribution. To address this limitation, we propose Step-aware Preference Optimization (SPO), a novel post-training approach that independently evaluates and adjusts the denoising performance at each step, using a step-aware preference model and a step-wise resampler to ensure accurate step-aware supervision. Specifically, at each denoising step, we sample a pool of images, find a suitable win-lose pair, and, most importantly, randomly select a single image from the pool to initialize the next denoising step. This step-wise resampler process ensures the next win-lose image pair comes from the same image, making the win-lose comparison independent of the previous step. To assess the preferences at each step, we train a separate step-aware preference model that can be applied to both noisy and clean images. Our experiments with Stable Diffusion v1.5 and SDXL demonstrate that SPO significantly outperforms the latest Diffusion-DPO in aligning generated images with complex, detailed prompts and enhancing aesthetics, while also achieving more than 20x times faster in training efficiency. Code and model: https://rockeycoss.github.io/spo.github.io/

Large language models demonstrate remarkable capabilities across various domains, especially mathematics and logic reasoning. However, current evaluations overlook physics-based reasoning - a complex task requiring physics theorems and constraints. We present PhysReason, a 1,200-problem benchmark comprising knowledge-based (25%) and reasoning-based (75%) problems, where the latter are divided into three difficulty levels (easy, medium, hard). Notably, problems require an average of 8.1 solution steps, with hard requiring 15.6, reflecting the complexity of physics-based reasoning. We propose the Physics Solution Auto Scoring Framework, incorporating efficient answer-level and comprehensive step-level evaluations. Top-performing models like Deepseek-R1, Gemini-2.0-Flash-Thinking, and o3-mini-high achieve less than 60% on answer-level evaluation, with performance dropping from knowledge questions (75.11%) to hard problems (31.95%). Through step-level evaluation, we identified four key bottlenecks: Physics Theorem Application, Physics Process Understanding, Calculation, and Physics Condition Analysis. These findings position PhysReason as a novel and comprehensive benchmark for evaluating physics-based reasoning capabilities in large language models. Our code and data will be published at https:/dxzxy12138.github.io/PhysReason.

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

The advancement of large language models (LLMs) has significantly propelled the field of code generation. Previous work integrated reinforcement learning (RL) with compiler feedback for exploring the output space of LLMs to enhance code generation quality. However, the lengthy code generated by LLMs in response to complex human requirements makes RL exploration a challenge. Also, since the unit tests may not cover the complicated code, optimizing LLMs by using these unexecuted code snippets is ineffective. To tackle these challenges, we introduce StepCoder, a novel RL framework for code generation, consisting of two main components: CCCS addresses the exploration challenge by breaking the long sequences code generation task into a Curriculum of Code Completion Subtasks, while FGO only optimizes the model by masking the unexecuted code segments to provide Fine-Grained Optimization. In addition, we furthermore construct the APPS+ dataset for RL training, which is manually verified to ensure the correctness of unit tests. Experimental results show that our method improves the ability to explore the output space and outperforms state-of-the-art approaches in corresponding benchmarks.

Modern IR systems are increasingly tasked with answering complex, multi-faceted queries that require deep reasoning rather than simple keyword or semantic matching. While LLM-based IR has shown great promise, the prevailing retrieve-then-rerank paradigm inherits the limitations of embedding-based retrieval; parametric generative approaches are difficult to update with new information; and long-context methods that place the entire corpus in context are computationally infeasible for large document collections. To address these challenges, we introduce LATTICE, a hierarchical retrieval framework that enables an LLM to reason over and navigate large corpora with logarithmic search complexity by imposing a semantic tree structure on the corpus. Our approach consists of two stages: (1) an offline phase that organizes the corpus into a semantic hierarchy via either a bottom-up agglomerative strategy or a top-down divisive strategy using multi-level summaries and (2) an online traversal phase where a search LLM navigates this tree. A central challenge in such LLM-guided search is that the model's relevance judgments are noisy, context-dependent, and unaware of the hierarchy, making cross-branch and cross-level comparisons difficult. To overcome this, we propose a traversal algorithm that estimates calibrated latent relevance scores from local LLM outputs and aggregates them into a global path relevance metric. Our training-free framework achieves state-of-the-art zero-shot performance on the reasoning-intensive BRIGHT benchmark, demonstrating up to 9% improvement in Recall@100 and 5% in nDCG@10 over the next best zero-shot baseline. Furthermore, compared to the fine-tuned SOTA method DIVER-v2, LATTICE attains comparable results on BRIGHT subsets that use a static corpus for evaluation.

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.

Recent work showed that large diffusion models can be reused as highly precise monocular depth estimators by casting depth estimation as an image-conditional image generation task. While the proposed model achieved state-of-the-art results, high computational demands due to multi-step inference limited its use in many scenarios. In this paper, we show that the perceived inefficiency was caused by a flaw in the inference pipeline that has so far gone unnoticed. The fixed model performs comparably to the best previously reported configuration while being more than 200times faster. To optimize for downstream task performance, we perform end-to-end fine-tuning on top of the single-step model with task-specific losses and get a deterministic model that outperforms all other diffusion-based depth and normal estimation models on common zero-shot benchmarks. We surprisingly find that this fine-tuning protocol also works directly on Stable Diffusion and achieves comparable performance to current state-of-the-art diffusion-based depth and normal estimation models, calling into question some of the conclusions drawn from prior works.

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

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

Competition-level code generation tasks pose significant challenges for current state-of-the-art large language models (LLMs). For example, on the LiveCodeBench-Hard dataset, models such as O1-Mini and O1-Preview achieve pass@1 rates of only 0.366 and 0.143, respectively. While tree search techniques have proven effective in domains like mathematics and general coding, their potential in competition-level code generation remains under-explored. In this work, we propose a novel token-level tree search method specifically designed for code generation. Leveraging Qwen2.5-Coder-32B-Instruct, our approach achieves a pass rate of 0.305 on LiveCodeBench-Hard, surpassing the pass@100 performance of GPT4o-0513 (0.245). Furthermore, by integrating Chain-of-Thought (CoT) prompting, we improve our method's performance to 0.351, approaching O1-Mini's pass@1 rate. To ensure reproducibility, we report the average number of generations required per problem by our tree search method on the test set. Our findings underscore the potential of tree search to significantly enhance performance on competition-level code generation tasks. This opens up new possibilities for large-scale synthesis of challenging code problems supervised fine-tuning (SFT) data, advancing competition-level code generation tasks.

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

LLMs have achieved remarkable breakthroughs in reasoning, insights, and tool use, but chaining these abilities into extended processes at the scale of those routinely executed by humans, organizations, and societies has remained out of reach. The models have a persistent error rate that prevents scale-up: for instance, recent experiments in the Towers of Hanoi benchmark domain showed that the process inevitably becomes derailed after at most a few hundred steps. Thus, although LLM research is often still benchmarked on tasks with relatively few dependent logical steps, there is increasing attention on the ability (or inability) of LLMs to perform long range tasks. This paper describes MAKER, the first system that successfully solves a task with over one million LLM steps with zero errors, and, in principle, scales far beyond this level. The approach relies on an extreme decomposition of a task into subtasks, each of which can be tackled by focused microagents. The high level of modularity resulting from the decomposition allows error correction to be applied at each step through an efficient multi-agent voting scheme. This combination of extreme decomposition and error correction makes scaling possible. Thus, the results suggest that instead of relying on continual improvement of current LLMs, massively decomposed agentic processes (MDAPs) may provide a way to efficiently solve problems at the level of organizations and societies.

Large Language Models (LLMs) have shown impressive performance as general purpose agents, but their abilities remain highly dependent on prompts which are hand written with onerous trial-and-error effort. We propose a simple and nonparametric solution to this problem, Automatic Prompt Optimization (APO), which is inspired by numerical gradient descent to automatically improve prompts, assuming access to training data and an LLM API. The algorithm uses minibatches of data to form natural language ``gradients'' that criticize the current prompt. The gradients are then ``propagated'' into the prompt by editing the prompt in the opposite semantic direction of the gradient. These gradient descent steps are guided by a beam search and bandit selection procedure which significantly improves algorithmic efficiency. Preliminary results across three benchmark NLP tasks and the novel problem of LLM jailbreak detection suggest that Automatic Prompt Optimization can outperform prior prompt editing techniques and improve an initial prompt's performance by up to 31\%, by using data to rewrite vague task descriptions into more precise annotation instructions.

Large language models (LLMs) have demonstrated powerful decision-making and planning capabilities in solving complicated real-world problems. LLM-based autonomous agents can interact with diverse tools (e.g., functional APIs) and generate solution plans that execute a series of API function calls in a step-by-step manner. The multitude of candidate API function calls significantly expands the action space, amplifying the critical need for efficient action space navigation. However, existing methods either struggle with unidirectional exploration in expansive action spaces, trapped into a locally optimal solution, or suffer from exhaustively traversing all potential actions, causing inefficient navigation. To address these issues, we propose ToolChain*, an efficient tree search-based planning algorithm for LLM-based agents. It formulates the entire action space as a decision tree, where each node represents a possible API function call involved in a solution plan. By incorporating the A* search algorithm with task-specific cost function design, it efficiently prunes high-cost branches that may involve incorrect actions, identifying the most low-cost valid path as the solution. Extensive experiments on multiple tool-use and reasoning tasks demonstrate that ToolChain* efficiently balances exploration and exploitation within an expansive action space. It outperforms state-of-the-art baselines on planning and reasoning tasks by 3.1% and 3.5% on average while requiring 7.35x and 2.31x less time, respectively.

Conditional language models are predominantly trained with maximum likelihood estimation (MLE), giving probability mass to sparsely observed target sequences. While MLE trained models assign high probability to plausible sequences given the context, the model probabilities often do not accurately rank-order generated sequences by quality. This has been empirically observed in beam search decoding as output quality degrading with large beam sizes, and decoding strategies benefiting from heuristics such as length normalization and repetition-blocking. In this work, we introduce sequence likelihood calibration (SLiC) where the likelihood of model generated sequences are calibrated to better align with reference sequences in the model's latent space. With SLiC, decoding heuristics become unnecessary and decoding candidates' quality significantly improves regardless of the decoding method. Furthermore, SLiC shows no sign of diminishing returns with model scale, and presents alternative ways to improve quality with limited training and inference budgets. With SLiC, we exceed or match SOTA results on a wide range of generation tasks spanning abstractive summarization, question generation, abstractive question answering and data-to-text generation, even with modest-sized models.

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

Large Language Models (LLMs) have made remarkable progress in mathematical reasoning, but still continue to struggle with high-precision tasks like numerical computation and formal symbolic manipulation. Integrating external tools has emerged as a promising approach to bridge this gap. Despite recent advances, existing methods struggle with three key challenges: constructing tool-integrated reasoning data, performing fine-grained optimization, and enhancing inference. To overcome these limitations, we propose THOR (Tool-Integrated Hierarchical Optimization via RL). First, we introduce TIRGen, a multi-agent actor-critic-based pipeline for constructing high-quality datasets of tool-integrated reasoning paths, aligning with the policy and generalizing well across diverse models. Second, to perform fine-grained hierarchical optimization, we introduce an RL strategy that jointly optimizes for both trajectory-level problem solving and step-level code generation. This is motivated by our key insight that the success of an intermediate tool call is a strong predictor of the final answer's correctness. Finally, THOR incorporates a self-correction mechanism that leverages immediate tool feedback to dynamically revise erroneous reasoning paths during inference. Our approach demonstrates strong generalization across diverse models, performing effectively in both reasoning and non-reasoning models. It further achieves state-of-the-art performance for models of a similar scale on multiple mathematical benchmarks, while also delivering consistent improvements on code benchmarks. Our code will be publicly available at https://github.com/JingMog/THOR.

We present AI-SARAH, a practical variant of SARAH. As a variant of SARAH, this algorithm employs the stochastic recursive gradient yet adjusts step-size based on local geometry. AI-SARAH implicitly computes step-size and efficiently estimates local Lipschitz smoothness of stochastic functions. It is fully adaptive, tune-free, straightforward to implement, and computationally efficient. We provide technical insight and intuitive illustrations on its design and convergence. We conduct extensive empirical analysis and demonstrate its strong performance compared with its classical counterparts and other state-of-the-art first-order methods in solving convex machine learning problems.

Stepwise inference protocols, such as scratchpads and chain-of-thought, help language models solve complex problems by decomposing them into a sequence of simpler subproblems. Despite the significant gain in performance achieved via these protocols, the underlying mechanisms of stepwise inference have remained elusive. To address this, we propose to study autoregressive Transformer models on a synthetic task that embodies the multi-step nature of problems where stepwise inference is generally most useful. Specifically, we define a graph navigation problem wherein a model is tasked with traversing a path from a start to a goal node on the graph. Despite is simplicity, we find we can empirically reproduce and analyze several phenomena observed at scale: (i) the stepwise inference reasoning gap, the cause of which we find in the structure of the training data; (ii) a diversity-accuracy tradeoff in model generations as sampling temperature varies; (iii) a simplicity bias in the model's output; and (iv) compositional generalization and a primacy bias with in-context exemplars. Overall, our work introduces a grounded, synthetic framework for studying stepwise inference and offers mechanistic hypotheses that can lay the foundation for a deeper understanding of this phenomenon.

Current tool-use large language models (LLMs) are trained on static datasets, enabling them to interact with external tools and perform multi-step, tool-integrated reasoning, which produces tool-call trajectories. However, these models imitate how a query is resolved in a generic tool-call routine, thereby failing to explore possible solutions and demonstrating limited performance in an evolved, dynamic tool-call environment. In this work, we propose PORTool, a reinforcement learning (RL) method that encourages a tool-use LLM to explore various trajectories yielding the correct answer. Specifically, this method starts with generating multiple rollouts for a given query, and some of them share the first few tool-call steps, thereby forming a tree-like structure. Next, we assign rewards to each step, based on its ability to produce a correct answer and make successful tool calls. A shared step across different trajectories receives the same reward, while different steps under the same fork receive different rewards. Finally, these step-wise rewards are used to calculate fork-relative advantages, blended with trajectory-relative advantages, to train the LLM for tool use. The experiments utilize 17 tools to address user queries, covering both time-sensitive and time-invariant topics. We conduct ablation studies to systematically justify the necessity and the design robustness of step-wise rewards. Furthermore, we compare the proposed PORTool with other training approaches and demonstrate significant improvements in final accuracy and the number of tool-call steps.

Multistep instructions, such as recipes and how-to guides, greatly benefit from visual aids, such as a series of images that accompany the instruction steps. While Large Language Models (LLMs) have become adept at generating coherent textual steps, Large Vision/Language Models (LVLMs) are less capable of generating accompanying image sequences. The most challenging aspect is that each generated image needs to adhere to the relevant textual step instruction, as well as be visually consistent with earlier images in the sequence. To address this problem, we propose an approach for generating consistent image sequences, which integrates a Latent Diffusion Model (LDM) with an LLM to transform the sequence into a caption to maintain the semantic coherence of the sequence. In addition, to maintain the visual coherence of the image sequence, we introduce a copy mechanism to initialise reverse diffusion processes with a latent vector iteration from a previously generated image from a relevant step. Both strategies will condition the reverse diffusion process on the sequence of instruction steps and tie the contents of the current image to previous instruction steps and corresponding images. Experiments show that the proposed approach is preferred by humans in 46.6% of the cases against 26.6% for the second best method. In addition, automatic metrics showed that the proposed method maintains semantic coherence and visual consistency across steps in both domains.

Greedy search methods like Greedy Best-First Search (GBFS) and Enforced Hill-Climbing (EHC) often struggle when faced with Uninformed Heuristic Regions (UHRs) like heuristic local minima or plateaus. In this work, we theoretically and empirically compare two popular methods for escaping UHRs in breadth-first search (BrFS) and restarting random walks (RRWs). We first derive the expected runtime of escaping a UHR using BrFS and RRWs, based on properties of the UHR and the random walk procedure, and then use these results to identify when RRWs will be faster in expectation than BrFS. We then evaluate these methods for escaping UHRs by comparing standard EHC, which uses BrFS to escape UHRs, to variants of EHC called EHC-RRW, which use RRWs for that purpose. EHC-RRW is shown to have strong expected runtime guarantees in cases where EHC has previously been shown to be effective. We also run experiments with these approaches on PDDL planning benchmarks to better understand their relative effectiveness for escaping UHRs.

3D indoor scenes are widely used in computer graphics, with applications ranging from interior design to gaming to virtual and augmented reality. They also contain rich information, including room layout, as well as furniture type, geometry, and placement. High-quality 3D indoor scenes are highly demanded while it requires expertise and is time-consuming to design high-quality 3D indoor scenes manually. Existing research only addresses partial problems: some works learn to generate room layout, and other works focus on generating detailed structure and geometry of individual furniture objects. However, these partial steps are related and should be addressed together for optimal synthesis. We propose SCENEHGN, a hierarchical graph network for 3D indoor scenes that takes into account the full hierarchy from the room level to the object level, then finally to the object part level. Therefore for the first time, our method is able to directly generate plausible 3D room content, including furniture objects with fine-grained geometry, and their layout. To address the challenge, we introduce functional regions as intermediate proxies between the room and object levels to make learning more manageable. To ensure plausibility, our graph-based representation incorporates both vertical edges connecting child nodes with parent nodes from different levels, and horizontal edges encoding relationships between nodes at the same level. Extensive experiments demonstrate that our method produces superior generation results, even when comparing results of partial steps with alternative methods that can only achieve these. We also demonstrate that our method is effective for various applications such as part-level room editing, room interpolation, and room generation by arbitrary room boundaries.

We present Step-Video-TI2V, a state-of-the-art text-driven image-to-video generation model with 30B parameters, capable of generating videos up to 102 frames based on both text and image inputs. We build Step-Video-TI2V-Eval as a new benchmark for the text-driven image-to-video task and compare Step-Video-TI2V with open-source and commercial TI2V engines using this dataset. Experimental results demonstrate the state-of-the-art performance of Step-Video-TI2V in the image-to-video generation task. Both Step-Video-TI2V and Step-Video-TI2V-Eval are available at https://github.com/stepfun-ai/Step-Video-TI2V.

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.

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.