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MPS-Prover: Advancing Stepwise Theorem Proving by Multi-Perspective Search and Data Curation

Neural Information Processing Systems

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


Learning to Condition: A Neural Heuristic for Scalable MPE Inference

Neural Information Processing Systems

We introduce learning to condition (L2C), a scalable, data-driven framework for accelerating Most Probable Explanation (MPE) inference in Probabilistic Graphical Models (PGMs)--a fundamentally intractable problem. L2C trains a neural network to score variable-value assignments based on their utility for conditioning, given observed evidence. To facilitate supervised learning, we develop a scalable data generation pipeline that extracts training signals from the search traces of existing MPE solvers. The trained network serves as a heuristic that integrates with search algorithms, acting as a conditioning strategy prior to exact inference or as a branching and node selection policy within branch-and-bound solvers.


SE-Agent: Self-Evolution Trajectory Optimization in Multi-Step Reasoning with LLM-Based Agents

Neural Information Processing Systems

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process--agents' interaction trajectory leading to task completion--remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively.


Contrastive Representations for Temporal Reasoning

Neural Information Processing Systems

In classical AI, perception relies on learning state-based representations, while planning --- temporal reasoning over action sequences --- is typically achieved through search. We study whether such reasoning can instead emerge from representations that capture both perceptual and temporal structure. We show that standard temporal contrastive learning, despite its popularity, often fails to capture temporal structure due to its reliance on spurious features. To address this, we introduce Contrastive Representations for Temporal Reasoning (CRTR), a method that uses a negative sampling scheme to provably remove these spurious features and facilitate temporal reasoning. CRTR achieves strong results on domains with complex temporal structure, such as Sokoban and Rubik's Cube. In particular, for the Rubik's Cube, CRTR learns representations that generalize across all initial states and allow it to solve the puzzle using fewer search steps than BestFS -- though with longer solutions. To our knowledge, this is the first method that efficiently solves arbitrary Cube states using only learned representations, without relying on an external search algorithm.


Distance Adaptive Beam Search for Provably Accurate Graph-Based Nearest Neighbor Search

Neural Information Processing Systems

Nearest neighbor search is central in machine learning, information retrieval, and databases. For high-dimensional datasets, graph-based methods such as HNSW, DiskANN, and NSG have become popular thanks to their empirical accuracy and efficiency. These methods construct a directed graph over the dataset and perform beam search on the graph to find nodes close to a given query. While significant work has focused on practical refinements and theoretical understanding of graph-based methods, many questions remain. We propose a new distance-based termination condition for beam search to replace the commonly used condition based on beam width. We prove that, as long as the search graph is navigable, our resulting Adaptive Beam Search method is guaranteed to approximately solve the nearest-neighbor problem, establishing a connection between navigability and the performance of graph-based search. We also provide extensive experiments on our new termination condition for both navigable graphs and approximately navigable graphs used in practice, such as HNSW and Vamana graphs. We find that Adaptive Beam Search outperforms standard beam search over a range of recall values, data sets, graph constructions, and target number of nearest neighbors. It thus provides a simple and practical way to improve the performance of popular methods.


FOCUS: Internal MLLM Representations for Efficient Fine-Grained Visual Question Answering

Neural Information Processing Systems

While Multimodal Large Language Models (MLLMs) offer strong perception and reasoning capabilities for image-text input, Visual Question Answering (VQA) focusing on small image details still remains a challenge. Although visual cropping techniques seem promising, recent approaches have several limitations: the need for task-specific fine-tuning, low efficiency due to uninformed exhaustive search, or incompatibility with efficient attention implementations. We address these shortcomings by proposing a training-free visual cropping method, dubbed FOCUS, that leverages MLLM-internal representations to guide the search for the most relevant image region. This is accomplished in four steps: first, we identify the target object(s) in the VQA prompt; second, we compute an object relevance map using the key-value (KV) cache; third, we propose and rank relevant image regions based on the map; and finally, we perform the fine-grained VQA task using the top-ranked region. As a result of this informed search strategy, FOCUS achieves strong performance across four fine-grained VQA datasets and three types of MLLMs. It outperforms three popular visual cropping methods in both accuracy and efficiency, and matches the best-performing baseline, ZoomEye, while requiring 3 - 6.5 less compute.


Rethinking Optimal Verification Granularity for Compute-Efficient Test-Time Scaling

Neural Information Processing Systems

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.


Test-Time Scaling of Diffusion Models via Noise Trajectory Search

Neural Information Processing Systems

The iterative and stochastic nature of diffusion models enables *test-time scaling*, whereby spending additional compute during denoising generates higher-fidelity samples. Increasing the number of denoising steps is the primary scaling axis, but this yields quickly diminishing returns. Instead optimizing the *noise trajectory*--the sequence of injected noise vectors--is promising, as the specific noise realizations critically affect sample quality; but this is challenging due to a high-dimensional search space, complex noise-outcome interactions, and costly trajectory evaluations. We address this by first casting diffusion as a Markov Decision Process (MDP) with a terminal reward, showing tree-search methods such as Monte Carlo tree search (MCTS) to be meaningful but impractical. To balance performance and efficiency, we then resort to a relaxation of MDP, where we view denoising as a sequence of independent *contextual bandits*. This allows us to introduce an $\epsilon$-greedy search algorithm that *globally explores* at extreme timesteps and *locally exploits* during the intermediate steps where de-mixing occurs.


SIGMA: Refining Large Language Model Reasoning via Sibling-Guided Monte Carlo Augmentation

Neural Information Processing Systems

Enhancing large language models by simply scaling up datasets has begun to yield diminishing returns, shifting the spotlight to data quality. Monte Carlo Tree Search (MCTS) has emerged as a powerful technique for generating high-quality chain-of-thought data, yet conventional approaches typically retain only the top-scoring trajectory from the search tree, discarding sibling nodes that often contain valuable partial insights, recurrent error patterns, and alternative reasoning strategies. This unconditional rejection of non-optimal reasoning branches may waste vast amounts of informative data in the whole search tree. We propose SIGMA (Sibling Guided Monte Carlo Augmentation), a novel framework that reintegrates these discarded sibling nodes to refine LLM reasoning. SIGMA forges semantic links among sibling nodes along each search path and applies a two-stage refinement: a critique model identifies overlooked strengths and weaknesses across the sibling set, and a revision model conducts text-based backpropagation to refine the top-scoring trajectory in light of this comparative feedback. By recovering and amplifying the underutilized but valuable signals from non-optimal reasoning branches, SIGMA substantially improves reasoning trajectories. On the challenging MATH benchmark, our SIGMA-tuned 7B model achieves 54.92\% accuracy using only 30K samples, outperforming state-of-the-art models trained on 590K samples. This result highlights that our sibling-guided optimization not only significantly reduces data usage but also significantly boosts LLM reasoning.


Tree-Guided Diffusion Planner

Neural Information Processing Systems

Planning with pretrained diffusion models has emerged as a promising approach for solving test-time guided control problems. Standard gradient guidance typically performs optimally under convex, differentiable reward landscapes. However, it shows substantially reduced effectiveness in real-world scenarios with non-convex objectives, non-differentiable constraints, and multi-reward structures. Furthermore, recent supervised planning approaches require task-specific training or value estimators, which limits test-time flexibility and zero-shot generalization. We propose a Tree-guided Diffusion Planner (TDP), a zero-shot test-time planning framework that balances exploration and exploitation through structured trajectory generation. We frame test-time planning as a tree search problem using a bi-level sampling process: (1) diverse parent trajectories are produced via training-free particle guidance to encourage broad exploration, and (2) sub-trajectories are refined through fast conditional denoising guided by task objectives. TDP addresses the limitations of gradient guidance by exploring diverse trajectory regions and harnessing gradient information across this expanded solution space using only pretrained models and test-time reward signals. We evaluate TDP on three diverse tasks: maze gold-picking, robot arm block manipulation, and AntMaze multi-goal exploration. TDP consistently outperforms state-of-the-art approaches on all tasks.