Daily Papers

Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are limited by their reliance on predefined heuristics and computationally expensive exploration strategies. We propose Policy-Guided Tree Search (PGTS), a framework that combines reinforcement learning with structured tree exploration to efficiently navigate reasoning paths. Our key innovation is a learned policy that dynamically decides between expanding, branching, backtracking, or terminating exploration, eliminating the need for manual heuristics or exhaustive search. Experiments across mathematical reasoning, logical deduction, and planning benchmarks demonstrate that PGTS achieves superior reasoning performance while significantly reducing computational costs compared to existing methods. These results establish PGTS as a scalable and effective solution for tackling complex reasoning tasks with LLMs.

Recently, test-time scaling has garnered significant attention from the research community, largely due to the substantial advancements of the o1 model released by OpenAI. By allocating more computational resources during the inference phase, large language models~(LLMs) can extensively explore the solution space by generating more thought tokens or diverse solutions, thereby producing more accurate responses. However, developing an o1-like reasoning approach is challenging, and researchers have been making various attempts to advance this open area of research. In this paper, we present a preliminary exploration into enhancing the reasoning abilities of LLMs through reward-guided tree search algorithms. This framework is implemented by integrating the policy model, reward model, and search algorithm. It is primarily constructed around a tree search algorithm, where the policy model navigates a dynamically expanding tree guided by a specially trained reward model. We thoroughly explore various design considerations necessary for implementing this framework and provide a detailed report of the technical aspects. To assess the effectiveness of our approach, we focus on mathematical reasoning tasks and conduct extensive evaluations on four challenging datasets, significantly enhancing the reasoning abilities of LLMs.

Recent methodologies in LLM self-training mostly rely on LLM generating responses and filtering those with correct output answers as training data. This approach often yields a low-quality fine-tuning training set (e.g., incorrect plans or intermediate reasoning). In this paper, we develop a reinforced self-training approach, called ReST-MCTS*, based on integrating process reward guidance with tree search MCTS* for collecting higher-quality reasoning traces as well as per-step value to train policy and reward models. ReST-MCTS* circumvents the per-step manual annotation typically used to train process rewards by tree-search-based reinforcement learning: Given oracle final correct answers, ReST-MCTS* is able to infer the correct process rewards by estimating the probability this step can help lead to the correct answer. These inferred rewards serve dual purposes: they act as value targets for further refining the process reward model and also facilitate the selection of high-quality traces for policy model self-training. We first show that the tree-search policy in ReST-MCTS* achieves higher accuracy compared with prior LLM reasoning baselines such as Best-of-N and Tree-of-Thought, within the same search budget. We then show that by using traces searched by this tree-search policy as training data, we can continuously enhance the three language models for multiple iterations, and outperform other self-training algorithms such as ReST^EM and Self-Rewarding LM.

While MLLMs have demonstrated adequate image understanding capabilities, they still struggle with pixel-level comprehension, limiting their practical applications. Current evaluation tasks like VQA and visual grounding remain too coarse to assess fine-grained pixel comprehension accurately. Though segmentation is foundational for pixel-level understanding, existing methods often require MLLMs to generate implicit tokens, decoded through external pixel decoders. This approach disrupts the MLLM's text output space, potentially compromising language capabilities and reducing flexibility and extensibility, while failing to reflect the model's intrinsic pixel-level understanding. Thus, we introduce the Human-Like Mask Annotation Task (HLMAT), a new paradigm where MLLMs mimic human annotators using interactive segmentation tools. Modeling segmentation as a multi-step Markov Decision Process, HLMAT enables MLLMs to iteratively generate text-based click points, achieving high-quality masks without architectural changes or implicit tokens. Through this setup, we develop SegAgent, a model fine-tuned on human-like annotation trajectories, which achieves performance comparable to state-of-the-art (SOTA) methods and supports additional tasks like mask refinement and annotation filtering. HLMAT provides a protocol for assessing fine-grained pixel understanding in MLLMs and introduces a vision-centric, multi-step decision-making task that facilitates exploration of MLLMs' visual reasoning abilities. Our adaptations of policy improvement method StaR and PRM-guided tree search further enhance model robustness in complex segmentation tasks, laying a foundation for future advancements in fine-grained visual perception and multi-step decision-making for MLLMs.

Recent advances in reasoning with large language models (LLMs) have shown the effectiveness of Monte Carlo Tree Search (MCTS) for generating high-quality intermediate trajectories, particularly in math and symbolic domains. Inspired by this, we explore how MCTS-derived trajectories, traditionally used for training value or reward models, can be repurposed to improve policy optimization in preference-based reinforcement learning (RL). Specifically, we focus on Group Relative Policy Optimization (GRPO), a recent algorithm that enables preference-consistent policy learning without value networks. We propose a staged GRPO training paradigm where completions are derived from partially revealed MCTS rollouts, introducing a novel tree-structured setting for advantage estimation. This leads to a rich class of prefix-conditioned reward signals, which we analyze theoretically and empirically. Our initial results indicate that while structured advantage estimation can stabilize updates and better reflect compositional reasoning quality, challenges such as advantage saturation and reward signal collapse remain. We propose heuristic and statistical solutions to mitigate these issues and discuss open challenges for learning under staged or tree-like reward structures.

Inference-time search algorithms such as Monte-Carlo Tree Search (MCTS) may seem unnecessary when generating natural language text based on state-of-the-art reinforcement learning such as Proximal Policy Optimization (PPO). In this paper, we demonstrate that it is possible to get extra mileage out of PPO by integrating MCTS on top. The key idea is not to throw out the value network, a byproduct of PPO training for evaluating partial output sequences, when decoding text out of the policy network. More concretely, we present a novel value-guided decoding algorithm called PPO-MCTS, which can integrate the value network from PPO to work closely with the policy network during inference-time generation. Compared to prior approaches based on MCTS for controlled text generation, the key strength of our approach is to reduce the fundamental mismatch of the scoring mechanisms of the partial outputs between training and test. Evaluation on four text generation tasks demonstrate that PPO-MCTS greatly improves the preferability of generated text compared to the standard practice of using only the PPO policy. Our results demonstrate the promise of search algorithms even on top of the aligned language models from PPO, and the under-explored benefit of the value network.

Large Language Models (LLMs) have shown remarkable capabilities in natural language tasks requiring complex reasoning, yet their application in agentic, multi-step reasoning within interactive environments remains a difficult challenge. Traditional supervised pre-training on static datasets falls short in enabling autonomous agent capabilities needed to perform complex decision-making in dynamic settings like web navigation. Previous attempts to bridge this ga-through supervised fine-tuning on curated expert demonstrations-often suffer from compounding errors and limited exploration data, resulting in sub-optimal policy outcomes. To overcome these challenges, we propose a framework that combines guided Monte Carlo Tree Search (MCTS) search with a self-critique mechanism and iterative fine-tuning on agent interactions using an off-policy variant of the Direct Preference Optimization (DPO) algorithm. Our method allows LLM agents to learn effectively from both successful and unsuccessful trajectories, thereby improving their generalization in complex, multi-step reasoning tasks. We validate our approach in the WebShop environment-a simulated e-commerce platform where it consistently outperforms behavior cloning and reinforced fine-tuning baseline, and beats average human performance when equipped with the capability to do online search. In real-world booking scenarios, our methodology boosts Llama-3 70B model's zero-shot performance from 18.6% to 81.7% success rate (a 340% relative increase) after a single day of data collection and further to 95.4% with online search. We believe this represents a substantial leap forward in the capabilities of autonomous agents, paving the way for more sophisticated and reliable decision-making in real-world settings.

Interactive medical questioning is essential in real-world clinical consultations, where physicians must actively gather information from patients. While medical Large Language Models (LLMs) have shown impressive capabilities in static medical question answering, they predominantly operate under a reactive paradigm: generating answers directly without seeking additional information, which risks incorrect diagnoses in such interactive settings. To address this limitation, we propose ProMed, a reinforcement learning (RL) framework that transitions medical LLMs toward a proactive paradigm, equipping them with the ability to ask clinically valuable questions before decision-making. At the core of ProMed is the Shapley Information Gain (SIG) reward, which quantifies the clinical utility of each question by combining the amount of newly acquired information with its contextual importance, estimated via Shapley values. We integrate SIG into a two-stage training pipeline: (1) SIG-Guided Model Initialization uses Monte Carlo Tree Search (MCTS) to construct high-reward interaction trajectories to supervise the model, and (2) SIG-Augmented Policy Optimization, which integrates SIG and enhances RL with a novel SIG-guided Reward Distribution Mechanism that assigns higher rewards to informative questions for targeted optimization. Extensive experiments on two newly curated partial-information medical benchmarks demonstrate that ProMed significantly outperforms state-of-the-art methods by an average of 6.29% and delivers a 54.45% gain over the reactive paradigm, while also generalizing robustly to out-of-domain cases.

We present COS(M+O)S, a System 2-inspired framework for open-ended plot development that systematically explores the vast space of possible story expansions, enabling a 3B-parameter language model to approach the plot quality of a 70B model on select short-story tasks. The method accomplishes this by combining Monte Carlo Tree Search (MCTS), guided by a step-level value model that rewards moderate surprisal (curiosity) while penalizing incoherence, and Odds Ratio Preference Optimization (ORPO) to fine-tune the policy on high-value plot expansions. This iterative reinforcement learning loop systematically explores multiple candidate plot branches, backpropagates quality signals, and adapts the policy for faster convergence, notably shifting the policy from puzzle-based Chain-of-Thought to more character-driven storytelling. In small-scale tests with short-story prompts, 67%-77% of participants favored COS(M+O)S's highest-rated expansions over lower-rated ones, suggesting that our learned value function aligns. GPT-4o ratings further show that COS(M+O)S surpasses naive single-pass decoding from Llama 3.2 3B by 0.59 SD, coming within 0.06 SD of Llama 3.1 70B (no significant difference, p=0.93). Pairwise comparisons with o1 place COS(M+O)S 1.5 SD above the 3B baseline and find no statistically significant gap from 70B. Nevertheless, absolute story quality remains modest, constrained by the small model's capacity and limited training data.

We present rStar-Math to demonstrate that small language models (SLMs) can rival or even surpass the math reasoning capability of OpenAI o1, without distillation from superior models. rStar-Math achieves this by exercising "deep thinking" through Monte Carlo Tree Search (MCTS), where a math policy SLM performs test-time search guided by an SLM-based process reward model. rStar-Math introduces three innovations to tackle the challenges in training the two SLMs: (1) a novel code-augmented CoT data sythesis method, which performs extensive MCTS rollouts to generate step-by-step verified reasoning trajectories used to train the policy SLM; (2) a novel process reward model training method that avoids na\"ive step-level score annotation, yielding a more effective process preference model (PPM); (3) a self-evolution recipe in which the policy SLM and PPM are built from scratch and iteratively evolved to improve reasoning capabilities. Through 4 rounds of self-evolution with millions of synthesized solutions for 747k math problems, rStar-Math boosts SLMs' math reasoning to state-of-the-art levels. On the MATH benchmark, it improves Qwen2.5-Math-7B from 58.8% to 90.0% and Phi3-mini-3.8B from 41.4% to 86.4%, surpassing o1-preview by +4.5% and +0.9%. On the USA Math Olympiad (AIME), rStar-Math solves an average of 53.3% (8/15) of problems, ranking among the top 20% the brightest high school math students. Code and data will be available at https://github.com/microsoft/rStar.

Recent advancements in aligning large language models via reinforcement learning have achieved remarkable gains in solving complex reasoning problems, but at the cost of expensive on-policy rollouts and limited exploration of diverse reasoning paths. In this work, we introduce TreePO, involving a self-guided rollout algorithm that views sequence generation as a tree-structured searching process. Composed of dynamic tree sampling policy and fixed-length segment decoding, TreePO leverages local uncertainty to warrant additional branches. By amortizing computation across common prefixes and pruning low-value paths early, TreePO essentially reduces the per-update compute burden while preserving or enhancing exploration diversity. Key contributions include: (1) a segment-wise sampling algorithm that alleviates the KV cache burden through contiguous segments and spawns new branches along with an early-stop mechanism; (2) a tree-based segment-level advantage estimation that considers both global and local proximal policy optimization. and (3) analysis on the effectiveness of probability and quality-driven dynamic divergence and fallback strategy. We empirically validate the performance gain of TreePO on a set reasoning benchmarks and the efficiency saving of GPU hours from 22\% up to 43\% of the sampling design for the trained models, meanwhile showing up to 40\% reduction at trajectory-level and 35\% at token-level sampling compute for the existing models. While offering a free lunch of inference efficiency, TreePO reveals a practical path toward scaling RL-based post-training with fewer samples and less compute. Home page locates at https://m-a-p.ai/TreePO.

Improving large language models (LLMs) for electronic health record (EHR) reasoning is essential for enabling accurate and generalizable clinical predictions. While LLMs excel at medical text understanding, they underperform on EHR-based prediction tasks due to challenges in modeling temporally structured, high-dimensional data. Existing approaches often rely on hybrid paradigms, where LLMs serve merely as frozen prior retrievers while downstream deep learning (DL) models handle prediction, failing to improve the LLM's intrinsic reasoning capacity and inheriting the generalization limitations of DL models. To this end, we propose EAG-RL, a novel two-stage training framework designed to intrinsically enhance LLMs' EHR reasoning ability through expert attention guidance, where expert EHR models refer to task-specific DL models trained on EHR data. Concretely, EAG-RL first constructs high-quality, stepwise reasoning trajectories using expert-guided Monte Carlo Tree Search to effectively initialize the LLM's policy. Then, EAG-RL further optimizes the policy via reinforcement learning by aligning the LLM's attention with clinically salient features identified by expert EHR models. Extensive experiments on two real-world EHR datasets show that EAG-RL improves the intrinsic EHR reasoning ability of LLMs by an average of 14.62%, while also enhancing robustness to feature perturbations and generalization to unseen clinical domains. These results demonstrate the practical potential of EAG-RL for real-world deployment in clinical prediction tasks. Our code have been available at https://github.com/devilran6/EAG-RL.

Reinforcement learning (RL) with tree search has demonstrated superior performance in traditional reasoning tasks. Compared to conventional independent chain sampling strategies with outcome supervision, tree search enables better exploration of the reasoning space and provides dense, on-policy process rewards during RL training but remains under-explored in On-Policy LLM RL. We propose TreeRL, a reinforcement learning framework that directly incorporates on-policy tree search for RL training. Our approach includes intermediate supervision and eliminates the need for a separate reward model training. Existing approaches typically train a separate process reward model, which can suffer from distribution mismatch and reward hacking. We also introduce a cost-effective tree search approach that achieves higher search efficiency under the same generation token budget by strategically branching from high-uncertainty intermediate steps rather than using random branching. Experiments on challenging math and code reasoning benchmarks demonstrate that TreeRL achieves superior performance compared to traditional ChainRL, highlighting the potential of tree search for LLM. TreeRL is open-sourced at https://github.com/THUDM/TreeRL.

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.

Policy Compliance Detection (PCD) is a task we encounter when reasoning over texts, e.g. legal frameworks. Previous work to address PCD relies heavily on modeling the task as a special case of Recognizing Textual Entailment. Entailment is applicable to the problem of PCD, however viewing the policy as a single proposition, as opposed to multiple interlinked propositions, yields poor performance and lacks explainability. To address this challenge, more recent proposals for PCD have argued for decomposing policies into expression trees consisting of questions connected with logic operators. Question answering is used to obtain answers to these questions with respect to a scenario. Finally, the expression tree is evaluated in order to arrive at an overall solution. However, this work assumes expression trees are provided by experts, thus limiting its applicability to new policies. In this work, we learn how to infer expression trees automatically from policy texts. We ensure the validity of the inferred trees by introducing constrained decoding using a finite state automaton to ensure the generation of valid trees. We determine through automatic evaluation that 63% of the expression trees generated by our constrained generation model are logically equivalent to gold trees. Human evaluation shows that 88% of trees generated by our model are correct.

Levin Tree Search (LTS) is a search algorithm that makes use of a policy (a probability distribution over actions) and comes with a theoretical guarantee on the number of expansions before reaching a goal node, depending on the quality of the policy. This guarantee can be used as a loss function, which we call the LTS loss, to optimize neural networks representing the policy (LTS+NN). In this work we show that the neural network can be substituted with parameterized context models originating from the online compression literature (LTS+CM). We show that the LTS loss is convex under this new model, which allows for using standard convex optimization tools, and obtain convergence guarantees to the optimal parameters in an online setting for a given set of solution trajectories -- guarantees that cannot be provided for neural networks. The new LTS+CM algorithm compares favorably against LTS+NN on several benchmarks: Sokoban (Boxoban), The Witness, and the 24-Sliding Tile puzzle (STP). The difference is particularly large on STP, where LTS+NN fails to solve most of the test instances while LTS+CM solves each test instance in a fraction of a second. Furthermore, we show that LTS+CM is able to learn a policy that solves the Rubik's cube in only a few hundred expansions, which considerably improves upon previous machine learning techniques.

Recent advances in reinforcement learning (RL) have significantly enhanced the agentic capabilities of large language models (LLMs). In long-term and multi-turn agent tasks, existing approaches driven solely by outcome rewards often suffer from the problem of sparse supervision. To address the challenge, we propose Tree-based Group Relative Policy Optimization (Tree-GRPO), a grouped agent RL method based on tree search, where each tree node represents the complete agent interaction step. By sharing common prefixes, the tree search sampling increases the number of rollouts achievable within a fixed budget of tokens or tool calls. Moreover, we find that the tree-structured trajectory naturally allows the construction of step-wise process supervised signals even using only the outcome reward. Based on this, Tree-GRPO estimates the grouped relative advantages both on intra-tree and inter-tree levels. Through theoretical analysis, we demonstrate that the objective of intra-tree level group relative policy optimization is equivalent to that of step-level direct preference learning. Experiments across 11 datasets and 3 types of QA tasks demonstrate the superiority of the proposed tree-based RL over the chain-based RL method.

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.

This paper provides a self-contained, from-scratch, exposition of key algorithms for instruction tuning of models: SFT, Rejection Sampling, REINFORCE, Trust Region Policy Optimization (TRPO), Proximal Policy Optimization (PPO), Group Relative Policy Optimization (GRPO), and Direct Preference Optimization (DPO). Explanations of these algorithms often assume prior knowledge, lack critical details, and/or are overly generalized and complex. Here, each method is discussed and developed step by step using simplified and explicit notation focused on LLMs, aiming to eliminate ambiguity and provide a clear and intuitive understanding of the concepts. By minimizing detours into the broader RL literature and connecting concepts to LLMs, we eliminate superfluous abstractions and reduce cognitive overhead. Following this exposition, we provide a literature review of new techniques and approaches beyond those detailed. Finally, new ideas for research and exploration in the form of GRAPE (Generalized Relative Advantage Policy Evolution) are presented.

Model-Free Reinforcement Learning (RL) algorithms either learn how to map states to expected rewards or search for policies that can maximize a certain performance function. Model-Based algorithms instead, aim to learn an approximation of the underlying model of the RL environment and then use it in combination with planning algorithms. Upside-Down Reinforcement Learning (UDRL) is a novel learning paradigm that aims to learn how to predict actions from states and desired commands. This task is formulated as a Supervised Learning problem and has successfully been tackled by Neural Networks (NNs). In this paper, we investigate whether function approximation algorithms other than NNs can also be used within a UDRL framework. Our experiments, performed over several popular optimal control benchmarks, show that tree-based methods like Random Forests and Extremely Randomized Trees can perform just as well as NNs with the significant benefit of resulting in policies that are inherently more interpretable than NNs, therefore paving the way for more transparent, safe, and robust RL.

Monte Carlo Tree Search (MCTS) is a powerful algorithm for solving complex decision-making problems. This paper presents an optimized MCTS implementation applied to the FrozenLake environment, a classic reinforcement learning task characterized by stochastic transitions. The optimization leverages cumulative reward and visit count tables along with the Upper Confidence Bound for Trees (UCT) formula, resulting in efficient learning in a slippery grid world. We benchmark our implementation against other decision-making algorithms, including MCTS with Policy and Q-Learning, and perform a detailed comparison of their performance. The results demonstrate that our optimized approach effectively maximizes rewards and success rates while minimizing convergence time, outperforming baseline methods, especially in environments with inherent randomness.

Instruction-following is a fundamental capability of language models, requiring the model to recognize even the most subtle requirements in the instructions and accurately reflect them in its output. Such an ability is well-suited for and often optimized by preference learning. However, existing methods often directly sample multiple independent responses from the model when creating preference pairs. Such practice can introduce content variations irrelevant to whether the instruction is precisely followed (e.g., different expressions about the same semantic), interfering with the goal of teaching models to recognize the key differences that lead to improved instruction following. In light of this, we introduce SPaR, a self-play framework integrating tree-search self-refinement to yield valid and comparable preference pairs free from distractions. By playing against itself, an LLM employs a tree-search strategy to refine its previous responses with respect to the instruction while minimizing unnecessary variations. Our experiments show that a LLaMA3-8B model, trained over three iterations guided by SPaR, surpasses GPT-4-Turbo on the IFEval benchmark without losing general capabilities. Furthermore, SPaR demonstrates promising scalability and transferability, greatly enhancing models like GLM-4-9B and LLaMA3-70B. We also identify how inference scaling in tree search would impact model performance. Our code and data are publicly available at https://github.com/thu-coai/SPaR.

This work studies a central extremal graph theory problem inspired by a 1975 conjecture of Erdos, which aims to find graphs with a given size (number of nodes) that maximize the number of edges without having 3- or 4-cycles. We formulate this problem as a sequential decision-making problem and compare AlphaZero, a neural network-guided tree search, with tabu search, a heuristic local search method. Using either method, by introducing a curriculum -- jump-starting the search for larger graphs using good graphs found at smaller sizes -- we improve the state-of-the-art lower bounds for several sizes. We also propose a flexible graph-generation environment and a permutation-invariant network architecture for learning to search in the space of graphs.

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.

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on many subgraphs. In this paper, we consider the problem of learning to select a small subset of the large set of possible subgraphs in a data-driven fashion. We first motivate the problem by proving that there are families of WL-indistinguishable graphs for which there exist efficient subgraph selection policies: small subsets of subgraphs that can already identify all the graphs within the family. We then propose a new approach, called Policy-Learn, that learns how to select subgraphs in an iterative manner. We prove that, unlike popular random policies and prior work addressing the same problem, our architecture is able to learn the efficient policies mentioned above. Our experimental results demonstrate that Policy-Learn outperforms existing baselines across a wide range of datasets.

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.

Applying reinforcement learning (RL) to combinatorial optimization problems is attractive as it removes the need for expert knowledge or pre-solved instances. However, it is unrealistic to expect an agent to solve these (often NP-)hard problems in a single shot at inference due to their inherent complexity. Thus, leading approaches often implement additional search strategies, from stochastic sampling and beam search to explicit fine-tuning. In this paper, we argue for the benefits of learning a population of complementary policies, which can be simultaneously rolled out at inference. To this end, we introduce Poppy, a simple training procedure for populations. Instead of relying on a predefined or hand-crafted notion of diversity, Poppy induces an unsupervised specialization targeted solely at maximizing the performance of the population. We show that Poppy produces a set of complementary policies, and obtains state-of-the-art RL results on four popular NP-hard problems: traveling salesman, capacitated vehicle routing, 0-1 knapsack, and job-shop scheduling.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

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.

While LLMs excel at open-ended reasoning, they often struggle with cost-sensitive planning, either treating all actions as having equal cost or failing to stay within strict budgets. In this paper, we introduce Cost-Augmented Monte Carlo Tree Search (CATS), a novel approach that brings explicit cost-awareness into LLM-guided planning. Tight cost constraints push the planner to quickly identify infeasible solutions, while looser constraints encourage optimization for minimal cost. We benchmark top LLMs such as GPT-4.1, Claude-3.7-Sonnet, and DeepSeek-R1, against our CATS planner to evaluate their performance in cost-sensitive scenarios. Our experiments suggest that raw LLMs such as GPT-4.1 often falter under tight budgets, whereas CATS consistently delivers strong performance, achieving higher task success rates and better cost efficiency. CATS provides an effective solution for budget-aware decision-making by combining the reasoning power of LLMs with structured search.

Mixed integer linear programs are commonly solved by Branch and Bound algorithms. A key factor of the efficiency of the most successful commercial solvers is their fine-tuned heuristics. In this paper, we leverage patterns in real-world instances to learn from scratch a new branching strategy optimised for a given problem and compare it with a commercial solver. We propose FMSTS, a novel Reinforcement Learning approach specifically designed for this task. The strength of our method lies in the consistency between a local value function and a global metric of interest. In addition, we provide insights for adapting known RL techniques to the Branch and Bound setting, and present a new neural network architecture inspired from the literature. To our knowledge, it is the first time Reinforcement Learning has been used to fully optimise the branching strategy. Computational experiments show that our method is appropriate and able to generalise well to new instances.

Large-scale task planning is a major challenge. Recent work exploits large language models (LLMs) directly as a policy and shows surprisingly interesting results. This paper shows that LLMs provide a commonsense model of the world in addition to a policy that acts on it. The world model and the policy can be combined in a search algorithm, such as Monte Carlo Tree Search (MCTS), to scale up task planning. In our new LLM-MCTS algorithm, the LLM-induced world model provides a commonsense prior belief for MCTS to achieve effective reasoning; the LLM-induced policy acts as a heuristic to guide the search, vastly improving search efficiency. Experiments show that LLM-MCTS outperforms both MCTS alone and policies induced by LLMs (GPT2 and GPT3.5) by a wide margin, for complex, novel tasks. Further experiments and analyses on multiple tasks -- multiplication, multi-hop travel planning, object rearrangement -- suggest minimum description length (MDL) as a general guiding principle: if the description length of the world model is substantially smaller than that of the policy, using LLM as a world model for model-based planning is likely better than using LLM solely as a policy.

Kinodynamic motion planning is concerned with computing collision-free trajectories while abiding by the robot's dynamic constraints. This critical problem is often tackled using sampling-based planners (SBPs) that explore the robot's high-dimensional state space by constructing a search tree via action propagations. Although SBPs can offer global guarantees on completeness and solution quality, their performance is often hindered by slow exploration due to uninformed action sampling. Learning-based approaches can yield significantly faster runtimes, yet they fail to generalize to out-of-distribution (OOD) scenarios and lack critical guarantees, e.g., safety, thus limiting their deployment on physical robots. We present Diffusion Tree (DiTree): a provably-generalizable framework leveraging diffusion policies (DPs) as informed samplers to efficiently guide state-space search within SBPs. DiTree combines DP's ability to model complex distributions of expert trajectories, conditioned on local observations, with the completeness of SBPs to yield provably-safe solutions within a few action propagation iterations for complex dynamical systems. We demonstrate DiTree's power with an implementation combining the popular RRT planner with a DP action sampler trained on a single environment. In comprehensive evaluations on OOD scenarios, % DiTree has comparable runtimes to a standalone DP (3x faster than classical SBPs), while improving the average success rate over DP and SBPs. DiTree is on average 3x faster than classical SBPs, and outperforms all other approaches by achieving roughly 30\% higher success rate. Project webpage: https://sites.google.com/view/ditree.

The integration of Reinforcement Learning (RL) into flow matching models for text-to-image (T2I) generation has driven substantial advances in generation quality. However, these gains often come at the cost of exhaustive exploration and inefficient sampling strategies due to slight variation in the sampling group. Building on this insight, we propose Dynamic-TreeRPO, which implements the sliding-window sampling strategy as a tree-structured search with dynamic noise intensities along depth. We perform GRPO-guided optimization and constrained Stochastic Differential Equation (SDE) sampling within this tree structure. By sharing prefix paths of the tree, our design effectively amortizes the computational overhead of trajectory search. With well-designed noise intensities for each tree layer, Dynamic-TreeRPO can enhance the variation of exploration without any extra computational cost. Furthermore, we seamlessly integrate Supervised Fine-Tuning (SFT) and RL paradigm within Dynamic-TreeRPO to construct our proposed LayerTuning-RL, reformulating the loss function of SFT as a dynamically weighted Progress Reward Model (PRM) rather than a separate pretraining method. By associating this weighted PRM with dynamic-adaptive clipping bounds, the disruption of exploration process in Dynamic-TreeRPO is avoided. Benefiting from the tree-structured sampling and the LayerTuning-RL paradigm, our model dynamically explores a diverse search space along effective directions. Compared to existing baselines, our approach demonstrates significant superiority in terms of semantic consistency, visual fidelity, and human preference alignment on established benchmarks, including HPS-v2.1, PickScore, and ImageReward. In particular, our model outperforms SoTA by 4.9%, 5.91%, and 8.66% on those benchmarks, respectively, while improving the training efficiency by nearly 50%.

We introduce HunyuanProver, an language model finetuned from the Hunyuan 7B for interactive automatic theorem proving with LEAN4. To alleviate the data sparsity issue, we design a scalable framework to iterative synthesize data with low cost. Besides, guided tree search algorithms are designed to enable effective ``system 2 thinking`` of the prover. HunyuanProver achieves state-of-the-art (SOTA) performances on major benchmarks. Specifically, it achieves a pass of 68.4% on the miniF2F-test compared to 65.9%, the current SOTA results. It proves 4 IMO statements (imo_1960_p2, imo_1962_p2}, imo_1964_p2 and imo_1983_p6) in miniF2F-test. To benefit the community, we will open-source a dataset of 30k synthesized instances, where each instance contains the original question in natural language, the converted statement by autoformalization, and the proof by HunyuanProver.

Conversational interfaces provide a flexible and easy way for users to seek information that may otherwise be difficult or inconvenient to obtain. However, existing interfaces generally fall into one of two categories: FAQs, where users must have a concrete question in order to retrieve a general answer, or dialogs, where users must follow a predefined path but may receive a personalized answer. In this paper, we introduce Conversational Tree Search (CTS) as a new task that bridges the gap between FAQ-style information retrieval and task-oriented dialog, allowing domain-experts to define dialog trees which can then be converted to an efficient dialog policy that learns only to ask the questions necessary to navigate a user to their goal. We collect a dataset for the travel reimbursement domain and demonstrate a baseline as well as a novel deep Reinforcement Learning architecture for this task. Our results show that the new architecture combines the positive aspects of both the FAQ and dialog system used in the baseline and achieves higher goal completion while skipping unnecessary questions.

LLM agents enhanced by tree search algorithms have yielded notable performances in code generation. However, current search algorithms in this domain suffer from low search quality due to several reasons: 1) Ineffective design of the search space for the high-reasoning demands of code generation tasks, 2) Inadequate integration of code feedback with the search algorithm, and 3) Poor handling of negative feedback during the search, leading to reduced search efficiency and quality. To address these challenges, we propose to search for the reasoning process of the code and use the detailed feedback of code execution to refine erroneous thoughts during the search. In this paper, we introduce RethinkMCTS, which employs the Monte Carlo Tree Search (MCTS) algorithm to conduct thought-level searches before generating code, thereby exploring a wider range of strategies. More importantly, we construct verbal feedback from fine-grained code execution feedback to refine erroneous thoughts during the search. This ensures that the search progresses along the correct reasoning paths, thus improving the overall search quality of the tree by leveraging execution feedback. Through extensive experiments, we demonstrate that RethinkMCTS outperforms previous search-based and feedback-based code generation baselines. On the HumanEval dataset, it improves the pass@1 of GPT-3.5-turbo from 70.12 to 89.02 and GPT-4o-mini from 87.20 to 94.51. It effectively conducts more thorough exploration through thought-level searches and enhances the search quality of the entire tree by incorporating rethink operation.

We study the problem of learning optimal policy from a set of discrete treatment options using observational data. We propose a piecewise linear neural network model that can balance strong prescriptive performance and interpretability, which we refer to as the prescriptive ReLU network, or P-ReLU. We show analytically that this model (i) partitions the input space into disjoint polyhedra, where all instances that belong to the same partition receive the same treatment, and (ii) can be converted into an equivalent prescriptive tree with hyperplane splits for interpretability. We demonstrate the flexibility of the P-ReLU network as constraints can be easily incorporated with minor modifications to the architecture. Through experiments, we validate the superior prescriptive accuracy of P-ReLU against competing benchmarks. Lastly, we present examples of interpretable prescriptive trees extracted from trained P-ReLUs using a real-world dataset, for both the unconstrained and constrained scenarios.

Test-time compute scaling has emerged as a new axis along which to improve model accuracy, where additional computation is used at inference time to allow the model to think longer for more challenging problems. One promising approach for test-time compute scaling is search against a process reward model, where a model generates multiple potential candidates at each step of the search, and these partial trajectories are then scored by a separate reward model in order to guide the search process. The diversity of trajectories in the tree search process affects the accuracy of the search, since increasing diversity promotes more exploration. However, this diversity comes at a cost, as divergent trajectories have less KV sharing, which means they consume more memory and slow down the search process. Previous search methods either do not perform sufficient exploration, or else explore diverse trajectories but have high latency. We address this challenge by proposing Efficient Tree Search (ETS), which promotes KV sharing by pruning redundant trajectories while maintaining necessary diverse trajectories. ETS incorporates a linear programming cost model to promote KV cache sharing by penalizing the number of nodes retained, while incorporating a semantic coverage term into the cost model to ensure that we retain trajectories which are semantically different. We demonstrate how ETS can achieve 1.8times reduction in average KV cache size during the search process, leading to 1.4times increased throughput relative to prior state-of-the-art methods, with minimal accuracy degradation and without requiring any custom kernel implementation. Code is available at: https://github.com/SqueezeAILab/ETS.

Recent advancements in Large Language Models(LLMs) have demonstrated their capabilities not only in reasoning but also in invoking external tools, particularly search engines. However, teaching models to discern when to invoke search and when to rely on their internal knowledge remains a significant challenge. Existing reinforcement learning approaches often lead to redundant search behaviors, resulting in inefficiencies and over-cost. In this paper, we propose SEM, a novel post-training reinforcement learning framework that explicitly trains LLMs to optimize search usage. By constructing a balanced dataset combining MuSiQue and MMLU, we create scenarios where the model must learn to distinguish between questions it can answer directly and those requiring external retrieval. We design a structured reasoning template and employ Group Relative Policy Optimization(GRPO) to post-train the model's search behaviors. Our reward function encourages accurate answering without unnecessary search while promoting effective retrieval when needed. Experimental results demonstrate that our method significantly reduces redundant search operations while maintaining or improving answer accuracy across multiple challenging benchmarks. This framework advances the model's reasoning efficiency and extends its capability to judiciously leverage external knowledge.

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.

Neural Architecture Search (NAS) has gained significant popularity as an effective tool for designing high performance deep neural networks (DNNs). NAS can be performed via policy gradient, evolutionary algorithms, differentiable architecture search or tree-search methods. While significant progress has been made for both policy gradient and differentiable architecture search, tree-search methods have so far failed to achieve comparable accuracy or search efficiency. In this paper, we formulate NAS as a Combinatorial Multi-Armed Bandit (CMAB) problem (CMAB-NAS). This allows the decomposition of a large search space into smaller blocks where tree-search methods can be applied more effectively and efficiently. We further leverage a tree-based method called Nested Monte-Carlo Search to tackle the CMAB-NAS problem. On CIFAR-10, our approach discovers a cell structure that achieves a low error rate that is comparable to the state-of-the-art, using only 0.58 GPU days, which is 20 times faster than current tree-search methods. Moreover, the discovered structure transfers well to large-scale datasets such as ImageNet.

Reinforcement learning has recently been used to approach well-known NP-hard combinatorial problems in graph theory. Among these problems, Hamiltonian cycle problems are exceptionally difficult to analyze, even when restricted to individual instances of structurally complex graphs. In this paper, we use Monte Carlo Tree Search (MCTS), the search algorithm behind many state-of-the-art reinforcement learning algorithms such as AlphaZero, to create autonomous agents that learn to play the game of Snake, a game centered on properties of Hamiltonian cycles on grid graphs. The game of Snake can be formulated as a single-player discounted Markov Decision Process (MDP) where the agent must behave optimally in a stochastic environment. Determining the optimal policy for Snake, defined as the policy that maximizes the probability of winning - or win rate - with higher priority and minimizes the expected number of time steps to win with lower priority, is conjectured to be NP-hard. Performance-wise, compared to prior work in the Snake game, our algorithm is the first to achieve a win rate over 0.5 (a uniform random policy achieves a win rate < 2.57 times 10^{-15}), demonstrating the versatility of AlphaZero in approaching NP-hard environments.

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

We propose ImitSAT, a branching policy for conflict-driven clause learning (CDCL) solvers based on imitation learning for the Boolean satisfiability problem (SAT). Unlike previous methods that predict instance-level signals to improve CDCL branching indirectly, or rely on reinforcement learning and insufficient CDCL information to enhance branching, ImitSAT learns from expert KeyTrace that collapses a full run into the sequence of surviving decisions. Replaying a KeyTrace on the same instance is nearly conflict-free, providing dense decision-level supervision and directly reducing propagations -- the dominant contributor to wall-clock time. This prefix-conditioned supervision enables ImitSAT to reproduce high-quality branches without exploration, yielding faster convergence, stable training, and seamless integration into CDCL. Extensive experiments demonstrate that ImitSAT reduces propagation counts and runtime, outperforming state-of-the-art learned approaches. We released the source code and trained model at https://github.com/zewei-Zhang/ImitSAT

While large language models (LLMs) have demonstrated impressive performance on a range of decision-making tasks, they rely on simple acting processes and fall short of broad deployment as autonomous agents. We introduce LATS (Language Agent Tree Search), a general framework that synergizes the capabilities of LLMs in planning, acting, and reasoning. Drawing inspiration from Monte Carlo tree search in model-based reinforcement learning, LATS employs LLMs as agents, value functions, and optimizers, repurposing their latent strengths for enhanced decision-making. What is crucial in this method is the use of an environment for external feedback, which offers a more deliberate and adaptive problem-solving mechanism that moves beyond the limitations of existing techniques. Our experimental evaluation across diverse domains, such as programming, HotPotQA, and WebShop, illustrates the applicability of LATS for both reasoning and acting. In particular, LATS achieves 94.4\% for programming on HumanEval with GPT-4 and an average score of 75.9 for web browsing on WebShop with GPT-3.5, demonstrating the effectiveness and generality of our method.

Conversational recommender systems (CRS) dynamically obtain the user preferences via multi-turn questions and answers. The existing CRS solutions are widely dominated by deep reinforcement learning algorithms. However, deep reinforcement learning methods are often criticised for lacking interpretability and requiring a large amount of training data to perform. In this paper, we explore a simpler alternative and propose a decision tree based solution to CRS. The underlying challenge in CRS is that the same item can be described differently by different users. We show that decision trees are sufficient to characterize the interactions between users and items, and solve the key challenges in multi-turn CRS: namely which questions to ask, how to rank the candidate items, when to recommend, and how to handle negative feedback on the recommendations. Firstly, the training of decision trees enables us to find questions which effectively narrow down the search space. Secondly, by learning embeddings for each item and tree nodes, the candidate items can be ranked based on their similarity to the conversation context encoded by the tree nodes. Thirdly, the diversity of items associated with each tree node allows us to develop an early stopping strategy to decide when to make recommendations. Fourthly, when the user rejects a recommendation, we adaptively choose the next decision tree to improve subsequent questions and recommendations. Extensive experiments on three publicly available benchmark CRS datasets show that our approach provides significant improvement to the state of the art CRS methods.

Modern conversational agents like ChatGPT and Alexa+ rely on predefined policies specifying metadata, response styles, and tool-usage rules. As these LLM-based systems expand to support diverse business and user queries, such policies, often implemented as in-context prompts, are becoming increasingly complex and lengthy, making faithful adherence difficult and imposing large fixed computational costs. With the rise of multimodal agents, policies that govern visual and multimodal behaviors are critical but remain understudied. Prior prompt-compression work mainly shortens task templates and demonstrations, while existing policy-alignment studies focus only on text-based safety rules. We introduce Multimodal Policy Internalization (MPI), a new task that internalizes reasoning-intensive multimodal policies into model parameters, enabling stronger policy-following without including the policy during inference. MPI poses unique data and algorithmic challenges. We build two datasets spanning synthetic and real-world decision-making and tool-using tasks and propose TriMPI, a three-stage training framework. TriMPI first injects policy knowledge via continual pretraining, then performs supervised finetuning, and finally applies PolicyRollout, a GRPO-style reinforcement learning extension that augments rollouts with policy-aware responses for grounded exploration. TriMPI achieves notable gains in end-to-end accuracy, generalization, and robustness to forgetting. As the first work on multimodal policy internalization, we provide datasets, training recipes, and comprehensive evaluations to foster future research. Project page: https://mikewangwzhl.github.io/TriMPI.

We consider learning to play multiplayer imperfect-information games with simultaneous moves and large state-action spaces. Previous attempts to tackle such challenging games have largely focused on model-free learning methods, often requiring hundreds of years of experience to produce competitive agents. Our approach is based on model-based planning. We tackle the problem of partial observability by first building an (oracle) planner that has access to the full state of the environment and then distilling the knowledge of the oracle to a (follower) agent which is trained to play the imperfect-information game by imitating the oracle's choices. We experimentally show that planning with naive Monte Carlo tree search does not perform very well in large combinatorial action spaces. We therefore propose planning with a fixed-depth tree search and decoupled Thompson sampling for action selection. We show that the planner is able to discover efficient playing strategies in the games of Clash Royale and Pommerman and the follower policy successfully learns to implement them by training on a few hundred battles.

Large Language Models have excelled in remarkable reasoning capabilities with advanced prompting techniques, but they fall short on tasks that require exploration, strategic foresight, and sequential decision-making. Recent works propose to utilize external programs to define search logic, such that LLMs can perform passive tree search to solve more challenging reasoning tasks. Though impressive results have been achieved, there are several fundamental limitations of these approaches. First, passive tree searches are not efficient as they usually require multiple rounds of LLM API calls to solve one single problem. Moreover, passive search methods are not flexible since they need task-specific program designs. Then a natural question arises: can we maintain the tree-search capability of LLMs without the aid of external programs, and can still generate responses that clearly demonstrate the process of a tree-structure search? To this end, we propose a new concept called autonomous tree-search ability of LLM, which can automatically generate a response containing search trajectories for the correct answer. Concretely, we perform search trajectories using capable LLM API via a fixed system prompt, allowing them to perform autonomous tree-search (ATS) right out of the box. Experiments on 4 puzzle games demonstrate our method can achieve huge improvements. The ATS-BFS method outperforms the Chain of Thought approach by achieving an average accuracy improvement of 33%. Compared to Tree of Thoughts, it requires 65.6% or 47.7% less GPT-api cost to attain a comparable level of accuracy. Moreover, we have collected data using the ATS prompt method and fine-tuned LLaMA. This approach yield a greater improvement compared to the ones fine-tuned on CoT data. Specifically, it outperforms CoT-tuned LLaMAs by an average of 40.6% and 38.5% for LLaMA2-7B and LLaMA2-13B, respectively.

Reinforcement learning (RL) has emerged as a powerful paradigm for fine-tuning Large Language Models (LLMs) for conditional text generation. In particular, recent LLMs such as ChatGPT and GPT-4 can engage in fluent conversations with users by incorporating RL and feedback from humans. Inspired by learning-to-search algorithms and capitalizing on key properties of text generation, we seek to investigate reinforcement learning algorithms beyond general purpose algorithms such as Proximal policy optimization (PPO). In particular, we extend RL algorithms to allow them to interact with a dynamic black-box guide LLM such as GPT-3 and propose RL with guided feedback (RLGF), a suite of RL algorithms for LLM fine-tuning. We experiment on the IMDB positive review and CommonGen text generation task from the GRUE benchmark. We show that our RL algorithms achieve higher performance than supervised learning (SL) and default PPO baselines, demonstrating the benefit of interaction with the guide LLM. On CommonGen, we not only outperform our SL baselines but also improve beyond PPO across a variety of lexical and semantic metrics beyond the one we optimized for. Notably, on the IMDB dataset, we show that our GPT-2 based policy outperforms the zero-shot GPT-3 oracle, indicating that our algorithms can learn from a powerful, black-box GPT-3 oracle with a simpler, cheaper, and publicly available GPT-2 model while gaining performance.

Reinforcement learning fine-tuning (RLFT) is a dominant paradigm for improving pretrained policies for downstream tasks. These pretrained policies, trained on large datasets, produce generations with a broad range of promising but unrefined behaviors. Often, a critical failure mode of RLFT arises when policies lose this diversity and collapse into a handful of easily exploitable outputs. This convergence hinders exploration, which is essential for expanding the capabilities of the pretrained policy and for amplifying the benefits of test-time compute scaling. To address this, we introduce an objective for policy gradient methods that explicitly enforces the exploration and refinement of diverse generations, which we call a polychromic objective. We then show how proximal policy optimization (PPO) can be adapted to optimize this objective. Our method (1) employs vine sampling to collect on-policy rollouts and (2) modifies the advantage function to reflect the advantage under our new objective. Experiments on BabyAI, Minigrid, and Algorithmic Creativity show that our method improves success rates by reliably solving a larger set of environment configurations and generalizes better under large perturbations. Moreover, when given multiple attempts in pass@k experiments, the policy achieves substantially higher coverage, demonstrating its ability to maintain and exploit a diverse repertoire of strategies.

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.

Language models are rarely shown fruitful mistakes while training. They then struggle to look beyond the next token, suffering from a snowballing of errors and struggling to predict the consequence of their actions several steps ahead. In this paper, we show how language models can be taught to search by representing the process of search in language, as a flattened string -- a stream of search (SoS). We propose a unified language for search that captures an array of different symbolic search strategies. We demonstrate our approach using the simple yet difficult game of Countdown, where the goal is to combine input numbers with arithmetic operations to reach a target number. We pretrain a transformer-based language model from scratch on a dataset of streams of search generated by heuristic solvers. We find that SoS pretraining increases search accuracy by 25% over models trained to predict only the optimal search trajectory. We further finetune this model with two policy improvement methods: Advantage-Induced Policy Alignment (APA) and Self-Taught Reasoner (STaR). The finetuned SoS models solve 36% of previously unsolved problems, including problems that cannot be solved by any of the heuristic solvers. Our results indicate that language models can learn to solve problems via search, self-improve to flexibly use different search strategies, and potentially discover new ones.

Behavior constrained policy optimization has been demonstrated to be a successful paradigm for tackling Offline Reinforcement Learning. By exploiting historical transitions, a policy is trained to maximize a learned value function while constrained by the behavior policy to avoid a significant distributional shift. In this paper, we propose our closed-form policy improvement operators. We make a novel observation that the behavior constraint naturally motivates the use of first-order Taylor approximation, leading to a linear approximation of the policy objective. Additionally, as practical datasets are usually collected by heterogeneous policies, we model the behavior policies as a Gaussian Mixture and overcome the induced optimization difficulties by leveraging the LogSumExp's lower bound and Jensen's Inequality, giving rise to a closed-form policy improvement operator. We instantiate offline RL algorithms with our novel policy improvement operators and empirically demonstrate their effectiveness over state-of-the-art algorithms on the standard D4RL benchmark. Our code is available at https://cfpi-icml23.github.io/.

This paper studies close-loop task planning, which refers to the process of generating a sequence of skills (a plan) to accomplish a specific goal while adapting the plan based on real-time observations. Recently, prompting Large Language Models (LLMs) to generate actions iteratively has become a prevalent paradigm due to its superior performance and user-friendliness. However, this paradigm is plagued by two inefficiencies: high token consumption and redundant error correction, both of which hinder its scalability for large-scale testing and applications. To address these issues, we propose Tree-Planner, which reframes task planning with LLMs into three distinct phases: plan sampling, action tree construction, and grounded deciding. Tree-Planner starts by using an LLM to sample a set of potential plans before execution, followed by the aggregation of them to form an action tree. Finally, the LLM performs a top-down decision-making process on the tree, taking into account real-time environmental information. Experiments show that Tree-Planner achieves state-of-the-art performance while maintaining high efficiency. By decomposing LLM queries into a single plan-sampling call and multiple grounded-deciding calls, a considerable part of the prompt are less likely to be repeatedly consumed. As a result, token consumption is reduced by 92.2% compared to the previously best-performing model. Additionally, by enabling backtracking on the action tree as needed, the correction process becomes more flexible, leading to a 40.5% decrease in error corrections. Project page: https://tree-planner.github.io/

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.

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

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities. Effectively leveraging this potential for complex tasks hinges crucially on improving their ability to use tools. Synthesizing tool use data by simulating the real world is an effective approach. Nevertheless, our investigation reveals that training gains significantly decay as the scale of these data increases. The primary factor is the model's poor performance (a.k.a deficiency) in complex scenarios, which hinders learning from data using SFT. Driven by this objective, we propose an iterative reinforced fine-tuning strategy to continually guide the model to alleviate it. Specifically, we first identify deficiency-related data based on feedback from the policy model, then perform a Monte Carlo Tree Search to collect fine-grained preference pairs to pinpoint deficiencies. Subsequently, we update the policy model using preference optimization to align with ground truth and misalign with deficiencies. This process can be iterated. Moreover, before the iteration, we propose an easy-to-hard warm-up SFT strategy to facilitate learning from challenging data. The experiments demonstrate our models go beyond the same parametric models, outperforming many larger open-source and closed-source models. Additionally, it has achieved notable training gains in complex tool use scenarios.

We describe an iterative procedure for optimizing policies, with guaranteed monotonic improvement. By making several approximations to the theoretically-justified procedure, we develop a practical algorithm, called Trust Region Policy Optimization (TRPO). This algorithm is similar to natural policy gradient methods and is effective for optimizing large nonlinear policies such as neural networks. Our experiments demonstrate its robust performance on a wide variety of tasks: learning simulated robotic swimming, hopping, and walking gaits; and playing Atari games using images of the screen as input. Despite its approximations that deviate from the theory, TRPO tends to give monotonic improvement, with little tuning of hyperparameters.

Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.

Reinforcement Learning (RL) has demonstrated tremendous empirical success across numerous challenging domains. However, we lack a strong theoretical understanding of the statistical complexity of RL in environments with large state spaces, where function approximation is required for sample-efficient learning. This thesis addresses this gap by rigorously examining the statistical complexity of RL with function approximation from a learning theoretic perspective. Departing from a long history of prior work, we consider the weakest form of function approximation, called agnostic policy learning, in which the learner seeks to find the best policy in a given class Pi, with no guarantee that Pi contains an optimal policy for the underlying task. We systematically explore agnostic policy learning along three key axes: environment access -- how a learner collects data from the environment; coverage conditions -- intrinsic properties of the underlying MDP measuring the expansiveness of state-occupancy measures for policies in the class Pi, and representational conditions -- structural assumptions on the class Pi itself. Within this comprehensive framework, we (1) design new learning algorithms with theoretical guarantees and (2) characterize fundamental performance bounds of any algorithm. Our results reveal significant statistical separations that highlight the power and limitations of agnostic policy learning.

Medical language models (MLMs) have become pivotal in advancing medical natural language processing. However, prior models that rely on pre-training or supervised fine-tuning often exhibit low data efficiency and limited practicality in real-world clinical applications. While OpenAIs O1 highlights test-time scaling in mathematics, attempts to replicate this approach in medicine typically distill responses from GPT-series models to open-source models, focusing primarily on multiple-choice tasks. This strategy, though straightforward, neglects critical concerns like data privacy and realistic deployment in clinical settings. In this work, we present a deployable, small-scale medical language model, \mone, designed for long-chain reasoning in clinical tasks using a self-evolution paradigm. Starting with a seed dataset of around 8,000 instances spanning five domains and 16 datasets, we prompt a base policy model to perform Monte Carlo Tree Search (MCTS) to construct verifiable reasoning chains. Each reasoning step is assigned an evolution rollout value, allowing verified trajectories to train the policy model and the reward model. During inference, the policy model generates multiple responses, and the reward model selects the one with the highest reward score. Experiments on eleven evaluation datasets demonstrate that \mone outperforms prior open-source models by 2 points, with the addition of the reward model further boosting performance (sim13 points), surpassing GPT-4o-mini. Code and data are available at https://github.com/pixas/MedSSS.

Neural networks (NN) achieve remarkable results in various tasks, but lack key characteristics: interpretability, support for categorical features, and lightweight implementations suitable for edge devices. While ongoing efforts aim to address these challenges, Gradient Boosting Trees (GBT) inherently meet these requirements. As a result, GBTs have become the go-to method for supervised learning tasks in many real-world applications and competitions. However, their application in online learning scenarios, notably in reinforcement learning (RL), has been limited. In this work, we bridge this gap by introducing Gradient-Boosting RL (GBRL), a framework that extends the advantages of GBT to the RL domain. Using the GBRL framework, we implement various actor-critic algorithms and compare their performance with their NN counterparts. Inspired by shared backbones in NN we introduce a tree-sharing approach for policy and value functions with distinct learning rates, enhancing learning efficiency over millions of interactions. GBRL achieves competitive performance across a diverse array of tasks, excelling in domains with structured or categorical features. Additionally, we present a high-performance, GPU-accelerated implementation that integrates seamlessly with widely-used RL libraries (available at https://github.com/NVlabs/gbrl). GBRL expands the toolkit for RL practitioners, demonstrating the viability and promise of GBT within the RL paradigm, particularly in domains characterized by structured or categorical features.

We present a representation-driven framework for reinforcement learning. By representing policies as estimates of their expected values, we leverage techniques from contextual bandits to guide exploration and exploitation. Particularly, embedding a policy network into a linear feature space allows us to reframe the exploration-exploitation problem as a representation-exploitation problem, where good policy representations enable optimal exploration. We demonstrate the effectiveness of this framework through its application to evolutionary and policy gradient-based approaches, leading to significantly improved performance compared to traditional methods. Our framework provides a new perspective on reinforcement learning, highlighting the importance of policy representation in determining optimal exploration-exploitation strategies.

Building agents based on tree-search planning capabilities with learned models has achieved remarkable success in classic decision-making problems, such as Go and Atari. However, it has been deemed challenging or even infeasible to extend Monte Carlo Tree Search (MCTS) based algorithms to diverse real-world applications, especially when these environments involve complex action spaces and significant simulation costs, or inherent stochasticity. In this work, we introduce LightZero, the first unified benchmark for deploying MCTS/MuZero in general sequential decision scenarios. Specificially, we summarize the most critical challenges in designing a general MCTS-style decision-making solver, then decompose the tightly-coupled algorithm and system design of tree-search RL methods into distinct sub-modules. By incorporating more appropriate exploration and optimization strategies, we can significantly enhance these sub-modules and construct powerful LightZero agents to tackle tasks across a wide range of domains, such as board games, Atari, MuJoCo, MiniGrid and GoBigger. Detailed benchmark results reveal the significant potential of such methods in building scalable and efficient decision intelligence. The code is available as part of OpenDILab at https://github.com/opendilab/LightZero.

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

In many real-world settings, agents must learn from an offline dataset gathered by some prior behavior policy. Such a setting naturally leads to distribution shift between the behavior policy and the target policy being trained - requiring policy conservatism to avoid instability and overestimation bias. Autoregressive world models offer a different solution to this by generating synthetic, on-policy experience. However, in practice, model rollouts must be severely truncated to avoid compounding error. As an alternative, we propose policy-guided diffusion. Our method uses diffusion models to generate entire trajectories under the behavior distribution, applying guidance from the target policy to move synthetic experience further on-policy. We show that policy-guided diffusion models a regularized form of the target distribution that balances action likelihood under both the target and behavior policies, leading to plausible trajectories with high target policy probability, while retaining a lower dynamics error than an offline world model baseline. Using synthetic experience from policy-guided diffusion as a drop-in substitute for real data, we demonstrate significant improvements in performance across a range of standard offline reinforcement learning algorithms and environments. Our approach provides an effective alternative to autoregressive offline world models, opening the door to the controllable generation of synthetic training data.

Accurately predicting road networks from satellite images requires a global understanding of the network topology. We propose to capture such high-level information by introducing a graph-based framework that simulates the addition of sequences of graph edges using a reinforcement learning (RL) approach. In particular, given a partially generated graph associated with a satellite image, an RL agent nominates modifications that maximize a cumulative reward. As opposed to standard supervised techniques that tend to be more restricted to commonly used surrogate losses, these rewards can be based on various complex, potentially non-continuous, metrics of interest. This yields more power and flexibility to encode problem-dependent knowledge. Empirical results on several benchmark datasets demonstrate enhanced performance and increased high-level reasoning about the graph topology when using a tree-based search. We further highlight the superiority of our approach under substantial occlusions by introducing a new synthetic benchmark dataset for this task.

Many practical applications, such as recommender systems and learning to rank, involve solving multiple similar tasks. One example is learning of recommendation policies for users with similar movie preferences, where the users may still rank the individual movies slightly differently. Such tasks can be organized in a hierarchy, where similar tasks are related through a shared structure. In this work, we formulate this problem as a contextual off-policy optimization in a hierarchical graphical model from logged bandit feedback. To solve the problem, we propose a hierarchical off-policy optimization algorithm (HierOPO), which estimates the parameters of the hierarchical model and then acts pessimistically with respect to them. We instantiate HierOPO in linear Gaussian models, for which we also provide an efficient implementation and analysis. We prove per-task bounds on the suboptimality of the learned policies, which show a clear improvement over not using the hierarchical model. We also evaluate the policies empirically. Our theoretical and empirical results show a clear advantage of using the hierarchy over solving each task independently.

We introduce a new function-preserving transformation for efficient neural architecture search. This network transformation allows reusing previously trained networks and existing successful architectures that improves sample efficiency. We aim to address the limitation of current network transformation operations that can only perform layer-level architecture modifications, such as adding (pruning) filters or inserting (removing) a layer, which fails to change the topology of connection paths. Our proposed path-level transformation operations enable the meta-controller to modify the path topology of the given network while keeping the merits of reusing weights, and thus allow efficiently designing effective structures with complex path topologies like Inception models. We further propose a bidirectional tree-structured reinforcement learning meta-controller to explore a simple yet highly expressive tree-structured architecture space that can be viewed as a generalization of multi-branch architectures. We experimented on the image classification datasets with limited computational resources (about 200 GPU-hours), where we observed improved parameter efficiency and better test results (97.70% test accuracy on CIFAR-10 with 14.3M parameters and 74.6% top-1 accuracy on ImageNet in the mobile setting), demonstrating the effectiveness and transferability of our designed architectures.

Aiming to produce reinforcement learning (RL) policies that are human-interpretable and can generalize better to novel scenarios, Trivedi et al. (2021) present a method (LEAPS) that first learns a program embedding space to continuously parameterize diverse programs from a pre-generated program dataset, and then searches for a task-solving program in the learned program embedding space when given a task. Despite the encouraging results, the program policies that LEAPS can produce are limited by the distribution of the program dataset. Furthermore, during searching, LEAPS evaluates each candidate program solely based on its return, failing to precisely reward correct parts of programs and penalize incorrect parts. To address these issues, we propose to learn a meta-policy that composes a series of programs sampled from the learned program embedding space. By learning to compose programs, our proposed hierarchical programmatic reinforcement learning (HPRL) framework can produce program policies that describe out-of-distributionally complex behaviors and directly assign credits to programs that induce desired behaviors. The experimental results in the Karel domain show that our proposed framework outperforms baselines. The ablation studies confirm the limitations of LEAPS and justify our design choices.

Experts advising decision-makers are likely to display expertise which varies as a function of the problem instance. In practice, this may lead to sub-optimal or discriminatory decisions against minority cases. In this work we model such changes in depth and breadth of knowledge as a partitioning of the problem space into regions of differing expertise. We provide here new algorithms that explicitly consider and adapt to the relationship between problem instances and experts' knowledge. We first propose and highlight the drawbacks of a naive approach based on nearest neighbor queries. To address these drawbacks we then introduce a novel algorithm - expertise trees - that constructs decision trees enabling the learner to select appropriate models. We provide theoretical insights and empirically validate the improved performance of our novel approach on a range of problems for which existing methods proved to be inadequate.

While large language models perform well on a range of complex tasks (e.g., text generation, question answering, summarization), robust multi-step planning and reasoning remains a considerable challenge for them. In this paper we show that search-based planning can significantly improve LLMs' playing strength across several board games (Chess, Fischer Random / Chess960, Connect Four, and Hex). We introduce, compare and contrast two major approaches: In external search, the model guides Monte Carlo Tree Search (MCTS) rollouts and evaluations without calls to an external engine, and in internal search, the model directly generates in-context a linearized tree of potential futures and a resulting final choice. Both build on a language model pre-trained on relevant domain knowledge, capturing the transition and value functions across these games. We find that our pre-training method minimizes hallucinations, as our model is highly accurate regarding state prediction and legal moves. Additionally, both internal and external search indeed improve win-rates against state-of-the-art bots, even reaching Grandmaster-level performance in chess while operating on a similar move count search budget per decision as human Grandmasters. The way we combine search with domain knowledge is not specific to board games, suggesting direct extensions into more general language model inference and training techniques.

Although current Large Language Models (LLMs) exhibit impressive capabilities, performing complex real-world tasks still requires tool learning. Mainstream methods, such as CoT/ReAct, rely on step-by-step tool invocation to interact with external environments, but they are limited in perceptual scope and lack adequate task-planning capability. To address these limitations, other studies introduce the first Search-based Decision Tree (DFSDT), which still suffers from the high computational cost. In this paper, we introduce a novel parallel tool invocation paradigm, DTA-Llama (Divide-Then-Aggregate Llama). First, we transform traditional tree-based tool search paths into Directed Acyclic Graph (DAG) structure, generating a high-quality parallel tool invocation dataset. The DTA-Llama is then trained on the dataset to learn to iteratively divide the current task into several parallel tool invocation sub-tasks and aggregate the invocation results to decide the next actions. Furthermore, we introduce an efficient inference framework inspired by the Process/Threads mechanism when applying the DTA-Llama to practical tasks. Experimental results show that our approach substantially enhances task performance while reducing token consumption and inference time. Llama2-7B, using our method, is comparable to the official parallel function calling method of GPT-3.5. The relevant code, dataset, and model weights are available at https://corn0205.github.io/

A key challenge in applying reinforcement learning (RL) to diffusion large language models (dLLMs) lies in the intractability of their likelihood functions, which are essential for the RL objective, necessitating corresponding approximation in each training step. While existing methods approximate the log-likelihoods by their evidence lower bounds (ELBOs) via customized Monte Carlo (MC) sampling, the forward computational graphs of all MC samples need to be retained for the gradient computation of non-linear terms in the RL objective, resulting in significant memory overhead. This constraint restricts feasible sample sizes, leading to imprecise likelihood approximations and ultimately distorting the RL objective. To overcome this limitation, we propose Boundary-Guided Policy Optimization (BGPO), a memory-efficient RL algorithm that maximizes a specially constructed lower bound of the ELBO-based objective. This lower bound is carefully designed to satisfy two key properties: (1) Linearity: it is formulated in a linear sum where each term depends only on a single MC sample, thereby enabling gradient accumulation across samples and ensuring constant memory usage; (2) Equivalence: Both the value and gradient of this lower bound are equal to those of the ELBO-based objective in on-policy training, making it also an effective approximation for the original RL objective. These properties allow BGPO to adopt a large MC sample size, resulting in more accurate likelihood approximations and improved RL objective estimation, which in turn leads to enhanced performance. Experiments show that BGPO significantly outperforms previous RL algorithms for dLLMs in math problem solving, code generation, and planning tasks.

Reinforcement learning (RL) has recently been introduced to interactive recommender systems (IRS) because of its nature of learning from dynamic interactions and planning for long-run performance. As IRS is always with thousands of items to recommend (i.e., thousands of actions), most existing RL-based methods, however, fail to handle such a large discrete action space problem and thus become inefficient. The existing work that tries to deal with the large discrete action space problem by utilizing the deep deterministic policy gradient framework suffers from the inconsistency between the continuous action representation (the output of the actor network) and the real discrete action. To avoid such inconsistency and achieve high efficiency and recommendation effectiveness, in this paper, we propose a Tree-structured Policy Gradient Recommendation (TPGR) framework, where a balanced hierarchical clustering tree is built over the items and picking an item is formulated as seeking a path from the root to a certain leaf of the tree. Extensive experiments on carefully-designed environments based on two real-world datasets demonstrate that our model provides superior recommendation performance and significant efficiency improvement over state-of-the-art methods.

This paper describes pi2vec, a method for representing behaviors of black box policies as feature vectors. The policy representations capture how the statistics of foundation model features change in response to the policy behavior in a task agnostic way, and can be trained from offline data, allowing them to be used in offline policy selection. This work provides a key piece of a recipe for fusing together three modern lines of research: Offline policy evaluation as a counterpart to offline RL, foundation models as generic and powerful state representations, and efficient policy selection in resource constrained environments.

We introduce iterative retrieval, a novel framework that empowers retrievers to make iterative decisions through policy optimization. Finding an optimal portfolio of retrieved items is a combinatorial optimization problem, generally considered NP-hard. This approach provides a learned approximation to such a solution, meeting specific task requirements under a given family of large language models (LLMs). We propose a training procedure based on reinforcement learning, incorporating feedback from LLMs. We instantiate an iterative retriever for composing in-context learning (ICL) exemplars and apply it to various semantic parsing tasks that demand synthesized programs as outputs. By adding only 4M additional parameters for state encoding, we convert an off-the-shelf dense retriever into a stateful iterative retriever, outperforming previous methods in selecting ICL exemplars on semantic parsing datasets such as CalFlow, TreeDST, and MTOP. Additionally, the trained iterative retriever generalizes across different inference LLMs beyond the one used during training.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

This paper presents first successful steps in designing search agents that learn meta-strategies for iterative query refinement in information-seeking tasks. Our approach uses machine reading to guide the selection of refinement terms from aggregated search results. Agents are then empowered with simple but effective search operators to exert fine-grained and transparent control over queries and search results. We develop a novel way of generating synthetic search sessions, which leverages the power of transformer-based language models through (self-)supervised learning. We also present a reinforcement learning agent with dynamically constrained actions that learns interactive search strategies from scratch. Our search agents obtain retrieval and answer quality performance comparable to recent neural methods, using only a traditional term-based BM25 ranking function and interpretable discrete reranking and filtering actions.

We present two different methods for estimating the cost of solving SAT problems. The methods focus on the online behaviour of the backtracking solver, as well as the structure of the problem. Modern SAT solvers present several challenges to estimate search cost including coping with nonchronological backtracking, learning and restarts. Our first method adapt an existing algorithm for estimating the size of a search tree to deal with these challenges. We then suggest a second method that uses a linear model trained on data gathered online at the start of search. We compare the effectiveness of these two methods using random and structured problems. We also demonstrate that predictions made in early restarts can be used to improve later predictions. We conclude by showing that the cost of solving a set of problems can be reduced by selecting a solver from a portfolio based on such cost estimations.

Reinforcement learning for LLM reasoning has rapidly emerged as a prominent research area, marked by a significant surge in related studies on both algorithmic innovations and practical applications. Despite this progress, several critical challenges remain, including the absence of standardized guidelines for employing RL techniques and a fragmented understanding of their underlying mechanisms. Additionally, inconsistent experimental settings, variations in training data, and differences in model initialization have led to conflicting conclusions, obscuring the key characteristics of these techniques and creating confusion among practitioners when selecting appropriate techniques. This paper systematically reviews widely adopted RL techniques through rigorous reproductions and isolated evaluations within a unified open-source framework. We analyze the internal mechanisms, applicable scenarios, and core principles of each technique through fine-grained experiments, including datasets of varying difficulty, model sizes, and architectures. Based on these insights, we present clear guidelines for selecting RL techniques tailored to specific setups, and provide a reliable roadmap for practitioners navigating the RL for the LLM domain. Finally, we reveal that a minimalist combination of two techniques can unlock the learning capability of critic-free policies using vanilla PPO loss. The results demonstrate that our simple combination consistently improves performance, surpassing strategies like GRPO and DAPO.

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.

Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.

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.

While language models have demonstrated impressive capabilities across a range of tasks, they still struggle with tasks that require complex planning and reasoning. Recent studies have proposed training language models on search processes rather than optimal solutions, resulting in better generalization performance even though search processes are noisy and even suboptimal. However, these studies overlook the value of optimal solutions, which can serve as step-by-step landmarks to guide more effective search. In this work, we explore how to leverage optimal solutions to enhance the search and planning abilities of language models. To this end, we propose guided stream of search (GSoS), which seamlessly incorporates optimal solutions into the self-generation process in a progressive manner, producing high-quality search trajectories. These trajectories are then distilled into the pre-trained model via supervised fine-tuning. Our approach significantly enhances the search and planning abilities of language models on Countdown, a simple yet challenging mathematical reasoning task. Notably, combining our method with RL fine-tuning yields further improvements, whereas previous supervised fine-tuning methods do not benefit from RL. Furthermore, our approach exhibits greater effectiveness than leveraging optimal solutions in the form of subgoal rewards.

In recent years, various powerful policy gradient algorithms have been proposed in deep reinforcement learning. While all these algorithms build on the Policy Gradient Theorem, the specific design choices differ significantly across algorithms. We provide a holistic overview of on-policy policy gradient algorithms to facilitate the understanding of both their theoretical foundations and their practical implementations. In this overview, we include a detailed proof of the continuous version of the Policy Gradient Theorem, convergence results and a comprehensive discussion of practical algorithms. We compare the most prominent algorithms on continuous control environments and provide insights on the benefits of regularization. All code is available at https://github.com/Matt00n/PolicyGradientsJax.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a "drift" function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS^star), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to 10times less compute. In text-to-image generation and language completion tasks, DTS^star effectively searches for high reward samples that match best-of-N with up to 5times less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.

Recently, Large Language Models (LLMs) have emerged as an alternative to training task-specific dialog agents, due to their broad reasoning capabilities and performance in zero-shot learning scenarios. However, many LLM-based dialog systems fall short in planning towards an overarching dialog goal and therefore cannot steer the conversation appropriately. Furthermore, these models struggle with hallucination, making them unsuitable for information access in sensitive domains, such as legal or medical domains, where correctness of information given to users is critical. The recently introduced task Conversational Tree Search (CTS) proposes the use of dialog graphs to avoid hallucination in sensitive domains, however, state-of-the-art agents are Reinforcement Learning (RL) based and require long training times, despite excelling at dialog strategy. This paper introduces a novel zero-shot method for controllable CTS agents, where LLMs guide the dialog planning through domain graphs by searching and pruning relevant graph nodes based on user interaction preferences. We show that these agents significantly outperform state-of-the-art CTS agents (p<0.0001; Barnard Exact test) in simulation. This generalizes to all available CTS domains. Finally, we perform user evaluation to test the agent's performance in the wild, showing that our policy significantly (p<0.05; Barnard Exact) improves task-success compared to the state-of-the-art RL-based CTS agent.

Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) are two prominent post-training paradigms for refining the capabilities and aligning the behavior of Large Language Models (LLMs). Existing approaches that integrate SFT and RL often face the risk of disrupting established model patterns and inducing overfitting to expert data. To address this, we present a novel investigation into the unified view of SFT and RL through an off-policy versus on-policy lens. We propose CHORD, a framework for the Controllable Harmonization of On- and Off-Policy Reinforcement Learning via Dynamic Weighting, which reframes SFT not as a separate stage but as a dynamically weighted auxiliary objective within the on-policy RL process. Based on an analysis of off-policy expert data's influence at both holistic and granular levels, we incorporate a dual-control mechanism in CHORD. Specifically, the framework first employs a global coefficient to holistically guide the transition from off-policy imitation to on-policy exploration, and then applies a token-wise weighting function that enables granular learning from expert tokens, which preserves on-policy exploration and mitigates disruption from off-policy data. We conduct extensive experiments on widely used benchmarks, providing empirical evidence that CHORD achieves a stable and efficient learning process. By effectively harmonizing off-policy expert data with on-policy exploration, CHORD demonstrates significant improvements over baselines. We release the implementation at https://github.com/modelscope/Trinity-RFT/tree/main/examples/mix_chord to inspire further research.

Recovering causal relationships from data is an important problem. Using observational data, one can typically only recover causal graphs up to a Markov equivalence class and additional assumptions or interventional data are needed for complete recovery. In this work, under some standard assumptions, we study causal graph discovery via adaptive interventions with node-dependent interventional costs. For this setting, we show that no algorithm can achieve an approximation guarantee that is asymptotically better than linear in the number of vertices with respect to the verification number; a well-established benchmark for adaptive search algorithms. Motivated by this negative result, we define a new benchmark that captures the worst-case interventional cost for any search algorithm. Furthermore, with respect to this new benchmark, we provide adaptive search algorithms that achieve logarithmic approximations under various settings: atomic, bounded size interventions and generalized cost objectives.

In the post-AlphaGo era, there has been a renewed interest in search techniques such as Monte Carlo Tree Search (MCTS), particularly in their application to Large Language Models (LLMs). This renewed attention is driven by the recognition that current next-token prediction models often lack the ability for long-term planning. Is it possible to instill search-like abilities within the models to enhance their planning abilities without relying on explicit search? We propose DiffuSearch , a model that does implicit search by looking into the future world via discrete diffusion modeling. We instantiate DiffuSearch on a classical board game, Chess, where explicit search is known to be essential. Through extensive controlled experiments, we show DiffuSearch outperforms both the searchless and explicit search-enhanced policies. Specifically, DiffuSearch outperforms the one-step policy by 19.2% and the MCTS-enhanced policy by 14% on action accuracy. Furthermore, DiffuSearch demonstrates a notable 30% enhancement in puzzle-solving abilities compared to explicit search-based policies, along with a significant 540 Elo increase in game-playing strength assessment. These results indicate that implicit search via discrete diffusion is a viable alternative to explicit search over a one-step policy. All codes are publicly available at https://github.com/HKUNLP/DiffuSearch{https://github.com/HKUNLP/DiffuSearch}.

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.

Constructing agents with planning capabilities has long been one of the main challenges in the pursuit of artificial intelligence. Tree-based planning methods have enjoyed huge success in challenging domains, such as chess and Go, where a perfect simulator is available. However, in real-world problems the dynamics governing the environment are often complex and unknown. In this work we present the MuZero algorithm which, by combining a tree-based search with a learned model, achieves superhuman performance in a range of challenging and visually complex domains, without any knowledge of their underlying dynamics. MuZero learns a model that, when applied iteratively, predicts the quantities most directly relevant to planning: the reward, the action-selection policy, and the value function. When evaluated on 57 different Atari games - the canonical video game environment for testing AI techniques, in which model-based planning approaches have historically struggled - our new algorithm achieved a new state of the art. When evaluated on Go, chess and shogi, without any knowledge of the game rules, MuZero matched the superhuman performance of the AlphaZero algorithm that was supplied with the game rules.

Efficiently tackling combinatorial reasoning problems, particularly the notorious NP-hard tasks, remains a significant challenge for AI research. Recent efforts have sought to enhance planning by incorporating hierarchical high-level search strategies, known as subgoal methods. While promising, their performance against traditional low-level planners is inconsistent, raising questions about their application contexts. In this study, we conduct an in-depth exploration of subgoal-planning methods for combinatorial reasoning. We identify the attributes pivotal for leveraging the advantages of high-level search: hard-to-learn value functions, complex action spaces, presence of dead ends in the environment, or using data collected from diverse experts. We propose a consistent evaluation methodology to achieve meaningful comparisons between methods and reevaluate the state-of-the-art algorithms.

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

Recent research has shown that LLM performance on reasoning tasks can be enhanced by scaling test-time compute. One promising approach, particularly with decomposable problems, involves arranging intermediate solutions as a graph on which transformations are performed to explore the solution space. However, prior works rely on pre-determined, task-specific transformation schedules which are subject to a set of searched hyperparameters. In this work, we view thought graph transformations as actions in a Markov decision process, and implement policy agents to drive effective action policies for the underlying reasoning LLM agent. In particular, we investigate the ability for another LLM to act as a policy agent on thought graph environments and introduce ARIES, a multi-agent architecture for reasoning with LLMs. In ARIES, reasoning LLM agents solve decomposed subproblems, while policy LLM agents maintain visibility of the thought graph states, and dynamically adapt the problem-solving strategy. Through extensive experiments, we observe that using off-the-shelf LLMs as policy agents with no supervised fine-tuning (SFT) can yield up to 29% higher accuracy on HumanEval relative to static transformation schedules, as well as reducing inference costs by 35% and avoid any search requirements. We also conduct a thorough analysis of observed failure modes, highlighting that limitations on LLM sizes and the depth of problem decomposition can be seen as challenges to scaling LLM-guided reasoning.

Autonomous web agents need to operate under externally imposed or human-specified policies while generating long-horizon trajectories. However, little work has examined whether these trajectories comply with such policies, or whether policy violations persist across different contexts such as domains (e.g., shopping or coding websites) and subdomains (e.g., product search and order management in shopping). To address this gap, we introduce PolicyGuardBench, a benchmark of about 60k examples for detecting policy violations in agent trajectories. From diverse agent runs, we generate a broad set of policies and create both within subdomain and cross subdomain pairings with violation labels. In addition to full-trajectory evaluation, PolicyGuardBench also includes a prefix-based violation detection task where models must anticipate policy violations from truncated trajectory prefixes rather than complete sequences. Using this dataset, we train PolicyGuard-4B, a lightweight guardrail model that delivers strong detection accuracy across all tasks while keeping inference efficient. Notably, PolicyGuard-4B generalizes across domains and preserves high accuracy on unseen settings. Together, PolicyGuardBench and PolicyGuard-4B provide the first comprehensive framework for studying policy compliance in web agent trajectories, and show that accurate and generalizable guardrails are feasible at small scales.

The rapid advancement in large language models (LLMs) has brought forth a diverse range of models with varying capabilities that excel in different tasks and domains. However, selecting the optimal LLM for user queries often involves a challenging trade-off between accuracy and cost, a problem exacerbated by the diverse demands of individual queries. In this work, we present a novel framework that formulates the LLM selection process as a multi-armed bandit problem, enabling dynamic and intelligent routing of queries to the most appropriate model. Our approach incorporates a preference-conditioned dynamic routing mechanism, allowing users to specify their preferences at inference time, thereby offering a customizable balance between performance and cost. Additionally, our selection policy is designed to generalize to unseen LLMs, ensuring adaptability to new models as they emerge. Experimental results demonstrate that our method achieves significant improvements in both accuracy and cost-effectiveness across various LLM platforms, showcasing the potential of our framework to adaptively optimize LLM selection in real-world scenarios.

Discovering efficient algorithms for solving complex problems has been an outstanding challenge in mathematics and computer science, requiring substantial human expertise over the years. Recent advancements in evolutionary search with large language models (LLMs) have shown promise in accelerating the discovery of algorithms across various domains, particularly in mathematics and optimization. However, existing approaches treat the LLM as a static generator, missing the opportunity to update the model with the signal obtained from evolutionary exploration. In this work, we propose to augment LLM-based evolutionary search by continuously refining the search operator - the LLM - through reinforcement learning (RL) fine-tuning. Our method leverages evolutionary search as an exploration strategy to discover improved algorithms, while RL optimizes the LLM policy based on these discoveries. Our experiments on three combinatorial optimization tasks - bin packing, traveling salesman, and the flatpack problem - show that combining RL and evolutionary search improves discovery efficiency of improved algorithms, showcasing the potential of RL-enhanced evolutionary strategies to assist computer scientists and mathematicians for more efficient algorithm design.

The application of Reinforcement Learning (RL) in real world environments can be expensive or risky due to sub-optimal policies during training. In Offline RL, this problem is avoided since interactions with an environment are prohibited. Policies are learned from a given dataset, which solely determines their performance. Despite this fact, how dataset characteristics influence Offline RL algorithms is still hardly investigated. The dataset characteristics are determined by the behavioral policy that samples this dataset. Therefore, we define characteristics of behavioral policies as exploratory for yielding high expected information in their interaction with the Markov Decision Process (MDP) and as exploitative for having high expected return. We implement two corresponding empirical measures for the datasets sampled by the behavioral policy in deterministic MDPs. The first empirical measure SACo is defined by the normalized unique state-action pairs and captures exploration. The second empirical measure TQ is defined by the normalized average trajectory return and captures exploitation. Empirical evaluations show the effectiveness of TQ and SACo. In large-scale experiments using our proposed measures, we show that the unconstrained off-policy Deep Q-Network family requires datasets with high SACo to find a good policy. Furthermore, experiments show that policy constraint algorithms perform well on datasets with high TQ and SACo. Finally, the experiments show, that purely dataset-constrained Behavioral Cloning performs competitively to the best Offline RL algorithms for datasets with high TQ.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

We propose an iterative programmatic planning (IPP) framework for solving grid-based tasks by synthesizing interpretable agent policies expressed in code using large language models (LLMs). Instead of relying on traditional search or reinforcement learning, our approach uses code generation as policy synthesis, where the LLM outputs executable programs that map environment states to action sequences. Our proposed architecture incorporates several prompting strategies, including direct code generation, pseudocode-conditioned refinement, and curriculum-based prompting, but also includes an iterative refinement mechanism that updates code based on task performance feedback. We evaluate our approach using six leading LLMs and two challenging grid-based benchmarks (GRASP and MiniGrid). Our IPP framework demonstrates improvements over direct code generation ranging from 10\% to as much as 10x across five of the six models and establishes a new state-of-the-art result for GRASP. IPP is found to significantly outperform direct elicitation of a solution from GPT-o3-mini (by 63\% on MiniGrid to 116\% on GRASP), demonstrating the viability of the overall approach. Computational costs of all code generation approaches are similar. While code generation has a higher initial prompting cost compared to direct solution elicitation (\0.08 per task vs. 0.002 per instance for GPT-o3-mini), the code can be reused for any number of instances, making the amortized cost significantly lower (by 400x on GPT-o3-mini across the complete GRASP benchmark).

Function calling capabilities are crucial for deploying Large Language Models in real-world applications, yet current training approaches fail to develop robust reasoning strategies. Supervised fine-tuning produces models that rely on superficial pattern matching, while standard reinforcement learning methods struggle with the complex action space of structured function calls. We present a novel reinforcement learning framework designed to enhance group relative policy optimization through strategic entropy based exploration specifically tailored for function calling tasks. Our approach addresses three critical challenges in function calling: insufficient exploration during policy learning, lack of structured reasoning in chain-of-thought generation, and inadequate verification of parameter extraction. Our two-stage data preparation pipeline ensures high-quality training samples through iterative LLM evaluation and abstract syntax tree validation. Extensive experiments on the Berkeley Function Calling Leaderboard demonstrate that this framework achieves state-of-the-art performance among open-source models with 86.02\% overall accuracy, outperforming standard GRPO by up to 6\% on complex multi-function scenarios. Notably, our method shows particularly strong improvements on code-pretrained models, suggesting that structured language generation capabilities provide an advantageous starting point for reinforcement learning in function calling tasks. We will release all the code, models and dataset to benefit the community.

Recent advances in large vision-language models (LVLMs) have shown promise for embodied task planning, yet they struggle with fundamental challenges like dependency constraints and efficiency. Existing approaches either solely optimize action selection or leverage world models during inference, overlooking the benefits of learning to model the world as a way to enhance planning capabilities. We propose Dual Preference Optimization (D^2PO), a new learning framework that jointly optimizes state prediction and action selection through preference learning, enabling LVLMs to understand environment dynamics for better planning. To automatically collect trajectories and stepwise preference data without human annotation, we introduce a tree search mechanism for extensive exploration via trial-and-error. Extensive experiments on VoTa-Bench demonstrate that our D^2PO-based method significantly outperforms existing methods and GPT-4o when applied to Qwen2-VL (7B), LLaVA-1.6 (7B), and LLaMA-3.2 (11B), achieving superior task success rates with more efficient execution paths.

Many resource management problems require sequential decision-making under uncertainty, where the only uncertainty affecting the decision outcomes are exogenous variables outside the control of the decision-maker. We model these problems as Exo-MDPs (Markov Decision Processes with Exogenous Inputs) and design a class of data-efficient algorithms for them termed Hindsight Learning (HL). Our HL algorithms achieve data efficiency by leveraging a key insight: having samples of the exogenous variables, past decisions can be revisited in hindsight to infer counterfactual consequences that can accelerate policy improvements. We compare HL against classic baselines in the multi-secretary and airline revenue management problems. We also scale our algorithms to a business-critical cloud resource management problem -- allocating Virtual Machines (VMs) to physical machines, and simulate their performance with real datasets from a large public cloud provider. We find that HL algorithms outperform domain-specific heuristics, as well as state-of-the-art reinforcement learning methods.

Large Language Model (LLM)-based agents have emerged as a transformative approach for open-ended problem solving, with information seeking (IS) being a core capability that enables autonomous reasoning and decision-making. While prior research has largely focused on improving retrieval depth, we observe that current IS agents often suffer from low search efficiency, which in turn constrains overall performance. A key factor underlying this inefficiency is the sparsity of target entities in training tasks, which limits opportunities for agents to learn and generalize efficient search behaviors. To address these challenges, we propose WebLeaper, a framework for constructing high-coverage IS tasks and generating efficient solution trajectories. We formulate IS as a tree-structured reasoning problem, enabling a substantially larger set of target entities to be embedded within a constrained context. Leveraging curated Wikipedia tables, we propose three variants for synthesizing IS tasks, Basic, Union, and Reverse-Union, to systematically increase both IS efficiency and efficacy. Finally, we curate training trajectories by retaining only those that are simultaneously accurate and efficient, ensuring that the model is optimized for both correctness and search performance. Extensive experiments on both basic and comprehensive settings, conducted on five IS benchmarks, BrowserComp, GAIA, xbench-DeepSearch, WideSearch, and Seal-0, demonstrate that our method consistently achieves improvements in both effectiveness and efficiency over strong baselines.

As large language models (LLMs) become increasingly versatile, numerous large scale benchmarks have been developed to thoroughly assess their capabilities. These benchmarks typically consist of diverse datasets and prompts to evaluate different aspects of LLM performance. However, comprehensive evaluations on hundreds or thousands of prompts incur tremendous costs in terms of computation, money, and time. In this work, we investigate strategies to improve evaluation efficiency by selecting a subset of examples from each benchmark using a learned policy. Our approach models the dependencies across test examples, allowing accurate prediction of the evaluation outcomes for the remaining examples based on the outcomes of the selected ones. Consequently, we only need to acquire the actual evaluation outcomes for the selected subset. We rigorously explore various subset selection policies and introduce a novel RL-based policy that leverages the captured dependencies. Empirical results demonstrate that our approach significantly reduces the number of evaluation prompts required while maintaining accurate performance estimates compared to previous methods.

Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to enhance their reasoning capabilities on complex tasks, thus taking on the role of intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2024] utilizes the depth-first search-based decision tree (DFSDT) method for reasoning with 16000+ real-world APIs, which effectively improves the planning and inferencing performance of tool-augmented LLMs compared to traditional chain reasoning approaches. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT) during training, which does not fully exploit the advantages of the tree of thought. In this study, we propose an inference trajectory optimization framework based on the preference data extracted from decision trees to address this limitation. We first introduce a novel method for constructing preference data from the tree of thought, capitalizing on the failed explorations previously overlooked in the trees. Specifically, we generate an effective step-wise preference dataset, named ToolPreference, for tool use based on the ToolBench dataset. In the subsequent training phase, we first fine-tune the LLM with tool-usage expert trajectories and then use these step-wise preference pairs for direct preference optimization (DPO) to update the policy of the LLM, resulting in our ToolPrefer-LLaMA (TP-LLaMA) model. Our experiments demonstrate that by obtaining insights from errors in inference trees, TP-LLaMA significantly outperforms the baselines across almost all test scenarios by a large margin and exhibits better generalization capabilities with unseen APIs. At the same time, TP-LLaMA has also demonstrated superior reasoning efficiency compared to the baselines, making it more suitable for complex tool-usage reasoning tasks.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Recently, online Reinforcement Learning with Verifiable Rewards (RLVR) has become a key paradigm for enhancing the reasoning capabilities of Large Language Models (LLMs). However, existing methods typically treat all training samples uniformly, overlooking the vast differences in problem difficulty relative to the model's current capabilities. This uniform training strategy leads to inefficient exploration of problems the model has already mastered, while concurrently lacking effective guidance on problems that are challenging its abilities the most, limiting both learning efficiency and upper-bound performance. To address this, we propose CLPO (Curriculum-guided Learning for Policy Optimization), a novel algorithm that creates a dynamic pedagogical feedback loop within the policy optimization process. The core of CLPO leverages the model's own rollout performance to conduct real-time difficulty assessment, thereby constructing an Online Curriculum. This curriculum then guides an Adaptive Problem Restructuring mechanism, where the model acts as its own teacher: it diversifies medium-difficulty problems to promote generalization and simplifies challenging problems to make them more attainable. Our approach transforms the static training procedure into a dynamic process that co-evolves with the model's capabilities. Experiments show that CLPO achieves state-of-the-art performance across eight challenging mathematical and general reasoning benchmarks, with an average pass@1 improvement of 6.96% over other methods, demonstrating its potential for more efficiently training more capable reasoning models.

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

The recent development of chain-of-thought (CoT) decoding has enabled large language models (LLMs) to generate explicit logical reasoning paths for complex problem-solving. However, research indicates that these paths are not always deliberate and optimal. The tree-of-thought (ToT) method employs tree-searching to extensively explore the reasoning space and find better reasoning paths that CoT decoding might overlook. This deliberation, however, comes at the cost of significantly increased inference complexity. In this work, we demonstrate that fine-tuning LLMs leveraging the search tree constructed by ToT allows CoT to achieve similar or better performance, thereby avoiding the substantial inference burden. This is achieved through Chain of Preference Optimization (CPO), where LLMs are fine-tuned to align each step of the CoT reasoning paths with those of ToT using the inherent preference information in the tree-search process. Extensive experimental results show that CPO significantly improves LLM performance in solving a variety of complex problems, including question answering, fact verification, and arithmetic reasoning, demonstrating its effectiveness. Our code is available at https://github.com/sail-sg/CPO.

Reinforcement learning from human feedback (RLHF) has emerged as an effective approach to aligning large language models (LLMs) to human preferences. RLHF contains three steps, i.e., human preference collecting, reward learning, and policy optimization, which are usually performed serially. Despite its popularity, however, (fixed) reward models may suffer from inaccurate off-distribution, since policy optimization continuously shifts LLMs' data distribution. Repeatedly collecting new preference data from the latest LLMs may alleviate this issue, which unfortunately makes the resulting system more complicated and difficult to optimize. In this paper, we propose reward learning on policy (RLP), an unsupervised framework that refines a reward model using policy samples to keep it on-distribution. Specifically, an unsupervised multi-view learning method is introduced to learn robust representations of policy samples. Meanwhile, a synthetic preference generation approach is developed to simulate high-quality preference data with policy outputs. Extensive experiments on three benchmark datasets show that RLP consistently outperforms the state-of-the-art. Our code is available at https://github.com/AlibabaResearch/DAMO-ConvAI/tree/main/rlp.

Recent studies have explored integrating Large Language Models (LLMs) with search engines to leverage both the LLMs' internal pre-trained knowledge and external information. Specially, reinforcement learning (RL) has emerged as a promising paradigm for enhancing LLM reasoning through multi-turn interactions with search engines. However, existing RL-based search agents rely on a single LLM to handle both search planning and question-answering (QA) tasks in an end-to-end manner, which limits their ability to optimize both capabilities simultaneously. In practice, sophisticated AI search systems often employ a large, frozen LLM (e.g., GPT-4, DeepSeek-R1) to ensure high-quality QA. Thus, a more effective and efficient approach is to utilize a small, trainable LLM dedicated to search planning. In this paper, we propose AI-SearchPlanner, a novel reinforcement learning framework designed to enhance the performance of frozen QA models by focusing on search planning. Specifically, our approach introduces three key innovations: 1) Decoupling the Architecture of the Search Planner and Generator, 2) Dual-Reward Alignment for Search Planning, and 3) Pareto Optimization of Planning Utility and Cost, to achieve the objectives. Extensive experiments on real-world datasets demonstrate that AI SearchPlanner outperforms existing RL-based search agents in both effectiveness and efficiency, while exhibiting strong generalization capabilities across diverse frozen QA models and data domains.

Performing Reinforcement Learning in sparse rewards settings, with very little prior knowledge, is a challenging problem since there is no signal to properly guide the learning process. In such situations, a good search strategy is fundamental. At the same time, not having to adapt the algorithm to every single problem is very desirable. Here we introduce TAXONS, a Task Agnostic eXploration of Outcome spaces through Novelty and Surprise algorithm. Based on a population-based divergent-search approach, it learns a set of diverse policies directly from high-dimensional observations, without any task-specific information. TAXONS builds a repertoire of policies while training an autoencoder on the high-dimensional observation of the final state of the system to build a low-dimensional outcome space. The learned outcome space, combined with the reconstruction error, is used to drive the search for new policies. Results show that TAXONS can find a diverse set of controllers, covering a good part of the ground-truth outcome space, while having no information about such space.

We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io

Large Language Models (LLMs) have demonstrated remarkable potential in handling complex reasoning tasks by generating step-by-step rationales.Some methods have proven effective in boosting accuracy by introducing extra verifiers to assess these paths. However, existing verifiers, typically trained on binary-labeled reasoning paths, fail to fully utilize the relative merits of intermediate steps, thereby limiting the effectiveness of the feedback provided. To overcome this limitation, we propose Tree-based Preference Learning Verifier (Tree-PLV), a novel approach that constructs reasoning trees via a best-first search algorithm and collects step-level paired data for preference training. Compared to traditional binary classification, step-level preferences more finely capture the nuances between reasoning steps, allowing for a more precise evaluation of the complete reasoning path. We empirically evaluate Tree-PLV across a range of arithmetic and commonsense reasoning tasks, where it significantly outperforms existing benchmarks. For instance, Tree-PLV achieved substantial performance gains over the Mistral-7B self-consistency baseline on GSM8K (67.55% to 82.79%), MATH (17.00% to 26.80%), CSQA (68.14% to 72.97%), and StrategyQA (82.86% to 83.25%).Additionally, our study explores the appropriate granularity for applying preference learning, revealing that step-level guidance provides feedback that better aligns with the evaluation of the reasoning process.

We adapt the ideas underlying the success of Deep Q-Learning to the continuous action domain. We present an actor-critic, model-free algorithm based on the deterministic policy gradient that can operate over continuous action spaces. Using the same learning algorithm, network architecture and hyper-parameters, our algorithm robustly solves more than 20 simulated physics tasks, including classic problems such as cartpole swing-up, dexterous manipulation, legged locomotion and car driving. Our algorithm is able to find policies whose performance is competitive with those found by a planning algorithm with full access to the dynamics of the domain and its derivatives. We further demonstrate that for many of the tasks the algorithm can learn policies end-to-end: directly from raw pixel inputs.

Reinforcement learning (RL) has emerged as a powerful tool for fine-tuning large language models (LLMs) to improve complex reasoning abilities. However, state-of-the-art policy optimization methods often suffer from high computational overhead and memory consumption, primarily due to the need for multiple generations per prompt and the reliance on critic networks or advantage estimates of the current policy. In this paper, we propose A*-PO, a novel two-stage policy optimization framework that directly approximates the optimal advantage function and enables efficient training of LLMs for reasoning tasks. In the first stage, we leverage offline sampling from a reference policy to estimate the optimal value function V*, eliminating the need for costly online value estimation. In the second stage, we perform on-policy updates using a simple least-squares regression loss with only a single generation per prompt. Theoretically, we establish performance guarantees and prove that the KL-regularized RL objective can be optimized without requiring complex exploration strategies. Empirically, A*-PO achieves competitive performance across a wide range of mathematical reasoning benchmarks, while reducing training time by up to 2times and peak memory usage by over 30% compared to PPO, GRPO, and REBEL. Implementation of A*-PO can be found at https://github.com/ZhaolinGao/A-PO.

We explore reinforcement learning (RL) techniques to enhance reasoning within targeted problem spaces in large language models (LLMs) under memory and compute constraints. Our focus is on critic-free methods compatible with LoRA fine-tuning on a single 40GB GPU, a common limitation in academic settings. We introduce S-GRPO, a memory-efficient variant of Group Relative Policy Optimization, and T-SPMO, a token-level prefix matching strategy for fine-grained credit assignment. Despite limited resources, when used to fine-tune Qwen2-1.5B both methods significantly improve SVAMP benchmark accuracy from 46% to above 70% using LoRA training. T-SPMO also excels in multi-digit multiplication tasks, underscoring the potential of RL fine-tuning under hardware constraints. Additionally, we find that our full-token GRPO baseline under LoRA fine-tuning did not improve model performance (compared to base model) on either task, suggesting that our memory-efficient methods may act as a form of regularization that stabilizes training when only a small subset of parameters are updated.

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 6% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS

Reinforcement Learning From Human Feedback (RLHF) has been a critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference, first we theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-tun dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two advanced planning methods, iterative correction and tree search. We present a comprehensive analysis of how discrimination accuracy affects the overall performance of agents when using these two methods or a simpler method, re-ranking. Experiments on two tasks, text-to-SQL parsing and mathematical reasoning, show that: (1) advanced planning methods demand discriminators with at least 90% accuracy to achieve significant improvements over re-ranking; (2) current LLMs' discrimination abilities have not met the needs of advanced planning methods to achieve such improvements; (3) with LLM-based discriminators, advanced planning methods may not adequately balance accuracy and efficiency. For example, compared to the other two methods, tree search is at least 10--20 times slower but leads to negligible performance gains, which hinders its real-world applications. Code and data will be released at https://github.com/OSU-NLP-Group/llm-planning-eval.

Despite recent rapid progress in AI safety, current large language models remain vulnerable to adversarial attacks in multi-turn interaction settings, where attackers strategically adapt their prompts across conversation turns and pose a more critical yet realistic challenge. Existing approaches that discover safety vulnerabilities either rely on manual red-teaming with human experts or employ automated methods using pre-defined templates and human-curated attack data, with most focusing on single-turn attacks. However, these methods did not explore the vast space of possible multi-turn attacks, failing to consider novel attack trajectories that emerge from complex dialogue dynamics and strategic conversation planning. This gap is particularly critical given recent findings that LLMs exhibit significantly higher vulnerability to multi-turn attacks compared to single-turn attacks. We propose DialTree-RPO, an on-policy reinforcement learning framework integrated with tree search that autonomously discovers diverse multi-turn attack strategies by treating the dialogue as a sequential decision-making problem, enabling systematic exploration without manually curated data. Through extensive experiments, our approach not only achieves more than 25.9% higher ASR across 10 target models compared to previous state-of-the-art approaches, but also effectively uncovers new attack strategies by learning optimal dialogue policies that maximize attack success across multiple turns.

Reinforcement Learning has emerged as a post-training approach to elicit agentic RAG behaviors such as search and planning from language models. However, compact language models (e.g., 0.5B parameters) struggle due to poor reasoning ability, resulting in sparse rewards and unstable training. To overcome these difficulties, we propose Distillation-Guided Policy Optimization (DGPO), which addresses the challenges through cold-start initialization from teacher demonstrations and continuous teacher guidance during policy optimization. To systematically evaluate our approach, we introduce Agentic RAG Capabilities (ARC), a fine-grained metric analyzing reasoning, search coordination, and response synthesis. Comprehensive experiments demonstrate that DGPO enables compact models to achieve sophisticated agentic search behaviors, even outperforming the larger teacher model in some cases. DGPO makes agentic RAG feasible in computing resource-constrained environments.

In Text-to-SQL, execution feedback is essential for guiding large language models (LLMs) to reason accurately and generate reliable SQL queries. However, existing methods treat execution feedback solely as a post-hoc signal for correction or selection, failing to integrate it into the generation process. This limitation hinders their ability to address reasoning errors as they occur, ultimately reducing query accuracy and robustness. To address this issue, we propose ReEx-SQL (Reasoning with Execution-Aware Reinforcement Learning), a framework for Text-to-SQL that enables models to interact with the database during decoding and dynamically adjust their reasoning based on execution feedback. ReEx-SQL introduces an execution-aware reasoning paradigm that interleaves intermediate SQL execution into reasoning paths, facilitating context-sensitive revisions. It achieves this through structured prompts with markup tags and a stepwise rollout strategy that integrates execution feedback into each stage of generation. To supervise policy learning, we develop a composite reward function that includes an exploration reward, explicitly encouraging effective database interaction. Additionally, ReEx-SQL adopts a tree-based decoding strategy to support exploratory reasoning, enabling dynamic expansion of alternative reasoning paths. Notably, ReEx-SQL achieves 88.8% on Spider and 64.9% on BIRD at the 7B scale, surpassing the standard reasoning baseline by 2.7% and 2.6%, respectively. It also shows robustness, achieving 85.2% on Spider-Realistic with leading performance. In addition, its tree-structured decoding improves efficiency and performance over linear decoding, reducing inference time by 51.9% on the BIRD development set.

Recent advancements have introduced machine learning frameworks to enhance the Branch and Bound (B\&B) branching policies for solving Mixed Integer Linear Programming (MILP). These methods, primarily relying on imitation learning of Strong Branching, have shown superior performance. However, collecting expert samples for imitation learning, particularly for Strong Branching, is a time-consuming endeavor. To address this challenge, we propose Contrastive Learning with Augmented MILPs for Branching (CAMBranch), a framework that generates Augmented MILPs (AMILPs) by applying variable shifting to limited expert data from their original MILPs. This approach enables the acquisition of a considerable number of labeled expert samples. CAMBranch leverages both MILPs and AMILPs for imitation learning and employs contrastive learning to enhance the model's ability to capture MILP features, thereby improving the quality of branching decisions. Experimental results demonstrate that CAMBranch, trained with only 10\% of the complete dataset, exhibits superior performance. Ablation studies further validate the effectiveness of our method.

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.

Multi-agent Pathfinding (MAPF) problem generally asks to find a set of conflict-free paths for a set of agents confined to a graph and is typically solved in a centralized fashion. Conversely, in this work, we investigate the decentralized MAPF setting, when the central controller that posses all the information on the agents' locations and goals is absent and the agents have to sequientially decide the actions on their own without having access to a full state of the environment. We focus on the practically important lifelong variant of MAPF, which involves continuously assigning new goals to the agents upon arrival to the previous ones. To address this complex problem, we propose a method that integrates two complementary approaches: planning with heuristic search and reinforcement learning through policy optimization. Planning is utilized to construct and re-plan individual paths. We enhance our planning algorithm with a dedicated technique tailored to avoid congestion and increase the throughput of the system. We employ reinforcement learning to discover the collision avoidance policies that effectively guide the agents along the paths. The policy is implemented as a neural network and is effectively trained without any reward-shaping or external guidance. We evaluate our method on a wide range of setups comparing it to the state-of-the-art solvers. The results show that our method consistently outperforms the learnable competitors, showing higher throughput and better ability to generalize to the maps that were unseen at the training stage. Moreover our solver outperforms a rule-based one in terms of throughput and is an order of magnitude faster than a state-of-the-art search-based solver.

Language agents have demonstrated promising capabilities in automating web-based tasks, though their current reactive approaches still underperform largely compared to humans. While incorporating advanced planning algorithms, particularly tree search methods, could enhance these agents' performance, implementing tree search directly on live websites poses significant safety risks and practical constraints due to irreversible actions such as confirming a purchase. In this paper, we introduce a novel paradigm that augments language agents with model-based planning, pioneering the innovative use of large language models (LLMs) as world models in complex web environments. Our method, WebDreamer, builds on the key insight that LLMs inherently encode comprehensive knowledge about website structures and functionalities. Specifically, WebDreamer uses LLMs to simulate outcomes for each candidate action (e.g., "what would happen if I click this button?") using natural language descriptions, and then evaluates these imagined outcomes to determine the optimal action at each step. Empirical results on two representative web agent benchmarks with online interaction -- VisualWebArena and Mind2Web-live -- demonstrate that WebDreamer achieves substantial improvements over reactive baselines. By establishing the viability of LLMs as world models in web environments, this work lays the groundwork for a paradigm shift in automated web interaction. More broadly, our findings open exciting new avenues for future research into 1) optimizing LLMs specifically for world modeling in complex, dynamic environments, and 2) model-based speculative planning for language agents.

In the domain of complex reasoning tasks, such as mathematical reasoning, recent advancements have proposed the use of Direct Preference Optimization (DPO) to suppress output of dispreferred responses, thereby enhancing the long-chain reasoning capabilities of large language models (LLMs). To this end, these studies employed LLMs to generate preference trees via Tree-of-thoughts (ToT) and sample the paired preference responses required by the DPO algorithm. However, the DPO algorithm based on binary preference optimization is unable to learn multiple responses with varying degrees of preference/dispreference that provided by the preference trees, resulting in incomplete preference learning. In this work, we introduce Tree Preference Optimization (TPO), that does not sample paired preference responses from the preference tree; instead, it directly learns from the entire preference tree during the fine-tuning. Specifically, TPO formulates the language model alignment as a Preference List Ranking problem, where the policy can potentially learn more effectively from a ranked preference list of responses given the prompt. In addition, to further assist LLMs in identifying discriminative steps within long-chain reasoning and increase the relative reward margin in the preference list, TPO utilizes Adaptive Step Reward to adjust the reward values of each step in trajectory for performing fine-grained preference optimization. We carry out extensive experiments on mathematical reasoning tasks to evaluate TPO. The experimental results indicate that TPO consistently outperforms DPO across three public large language models on four datasets.

This paper introduces Completion Pruning Policy Optimization (CPPO) to accelerate the training of reasoning models based on Group Relative Policy Optimization (GRPO). GRPO, while effective, incurs high training costs due to the need for sampling multiple completions for each question. Our experiment and theoretical analysis reveals that the number of completions impacts model accuracy yet increases training time multiplicatively, and not all completions contribute equally to policy training -- their contribution depends on their relative advantage. To address these issues, we propose CPPO, which prunes completions with low absolute advantages, significantly reducing the number needed for gradient calculation and updates. Additionally, we introduce a dynamic completion allocation strategy to maximize GPU utilization by incorporating additional questions, further enhancing training efficiency. Experimental results demonstrate that CPPO achieves up to 8.32times speedup on GSM8K and 3.51times on Math while preserving or even enhancing the accuracy compared to the original GRPO. We release our code at https://github.com/lzhxmu/CPPO.

While scaling the length of responses at test-time has been shown to markedly improve the reasoning abilities and performance of large language models (LLMs), it often results in verbose outputs and increases inference cost. Prior approaches for efficient test-time scaling, typically using universal budget constraints or query-level length optimization, do not leverage historical information from previous encounters with the same problem during training. We hypothesize that this limits their ability to progressively make solutions more concise over time. To address this, we present History-Aware Policy Optimization (HAPO), which keeps track of a history state (e.g., the minimum length over previously generated correct responses) for each problem. HAPO employs a novel length reward function based on this history state to incentivize the discovery of correct solutions that are more concise than those previously found. Crucially, this reward structure avoids overly penalizing shorter incorrect responses with the goal of facilitating exploration towards more efficient solutions. By combining this length reward with a correctness reward, HAPO jointly optimizes for correctness and efficiency. We use HAPO to train DeepSeek-R1-Distill-Qwen-1.5B, DeepScaleR-1.5B-Preview, and Qwen-2.5-1.5B-Instruct, and evaluate HAPO on several math benchmarks that span various difficulty levels. Experiment results demonstrate that HAPO effectively induces LLMs' concise reasoning abilities, producing length reductions of 33-59% with accuracy drops of only 2-5%.

Planning for goal-oriented dialogue often requires simulating future dialogue interactions and estimating task progress. Many approaches thus consider training neural networks to perform look-ahead search algorithms such as A* search and Monte Carlo Tree Search (MCTS). However, this training often requires abundant annotated data, which creates challenges when faced with noisy annotations or low-resource settings. We introduce GDP-Zero, an approach using Open-Loop MCTS to perform goal-oriented dialogue policy planning without any model training. GDP-Zero prompts a large language model to act as a policy prior, value function, user simulator, and system model during the tree search. We evaluate GDP-Zero on the goal-oriented task PersuasionForGood, and find that its responses are preferred over ChatGPT up to 59.32% of the time, and are rated more persuasive than ChatGPT during interactive evaluations.

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.

Large Language Models (LLMs) exhibit robust problem-solving capabilities for diverse tasks. However, most LLM-based agents are designed as specific task solvers with sophisticated prompt engineering, rather than agents capable of learning and evolving through interactions. These task solvers necessitate manually crafted prompts to inform task rules and regulate LLM behaviors, inherently incapacitating to address complex dynamic scenarios e.g., large interactive games. In light of this, we propose Agent-Pro: an LLM-based Agent with Policy-level Reflection and Optimization that can learn a wealth of expertise from interactive experiences and progressively elevate its behavioral policy. Specifically, it involves a dynamic belief generation and reflection process for policy evolution. Rather than action-level reflection, Agent-Pro iteratively reflects on past trajectories and beliefs, fine-tuning its irrational beliefs for a better policy. Moreover, a depth-first search is employed for policy optimization, ensuring continual enhancement in policy payoffs. Agent-Pro is evaluated across two games: Blackjack and Texas Hold'em, outperforming vanilla LLM and specialized models. Our results show Agent-Pro can learn and evolve in complex and dynamic scenes, which also benefits numerous LLM-based applications.

We investigate the potential of large language models (LLMs) to serve as efficient simulators for agentic search tasks in reinforcement learning (RL), thereby reducing dependence on costly interactions with external search engines. To this end, we first quantify the intrinsic search capability of LLMs via structured prompting and repeated sampling, which we term Self-Search. Our results reveal that LLMs exhibit strong scaling behavior with respect to the inference budget, achieving high pass@k on question-answering benchmarks, including the challenging BrowseComp task. Building on these observations, we introduce Self-Search RL (SSRL), which enhances LLMs' Self-Search capability through format-based and rule-based rewards. SSRL enables models to iteratively refine their knowledge utilization internally, without requiring access to external tools. Empirical evaluations demonstrate that SSRL-trained policy models provide a cost-effective and stable environment for search-driven RL training, reducing reliance on external search engines and facilitating robust sim-to-real transfer. We draw the following conclusions: 1) LLMs possess world knowledge that can be effectively elicited to achieve high performance; 2) SSRL demonstrates the potential of leveraging internal knowledge to reduce hallucination; 3) SSRL-trained models integrate seamlessly with external search engines without additional effort. Our findings highlight the potential of LLMs to support more scalable RL agent training.

Effective information searching is essential for enhancing the reasoning and generation capabilities of large language models (LLMs). Recent research has explored using reinforcement learning (RL) to improve LLMs' search capabilities by interacting with live search engines in real-world environments. While these approaches show promising results, they face two major challenges: (1) Uncontrolled Document Quality: The quality of documents returned by search engines is often unpredictable, introducing noise and instability into the training process. (2) Prohibitively High API Costs: RL training requires frequent rollouts, potentially involving hundreds of thousands of search requests, which incur substantial API expenses and severely constrain scalability. To address these challenges, we introduce ZeroSearch, a reinforcement learning framework that incentivizes the search capabilities of LLMs without interacting with real search engines. Our approach begins with lightweight supervised fine-tuning to transform the LLM into a retrieval module capable of generating both relevant and noisy documents in response to a query. During RL training, we employ a curriculum-based rollout strategy that incrementally degrades the quality of generated documents, progressively eliciting the model's reasoning ability by exposing it to increasingly challenging retrieval scenarios. Extensive experiments demonstrate that ZeroSearch effectively incentivizes the search capabilities of LLMs using a 3B LLM as the retrieval module. Remarkably, a 7B retrieval module achieves comparable performance to the real search engine, while a 14B retrieval module even surpasses it. Furthermore, it generalizes well across both base and instruction-tuned models of various parameter sizes and is compatible with a wide range of RL algorithms.

Planning remains one of the last standing bastions for large language models (LLMs), which now turn their attention to search. Most of the literature uses the language models as world models to define the search space, forgoing soundness for the sake of flexibility. A recent work, Thought of Search (ToS), proposed defining the search space with code, having the language models produce that code. ToS requires a human in the loop, collaboratively producing a sound successor function and goal test. The result, however, is worth the effort: all the tested datasets were solved with 100% accuracy. At the same time LLMs have demonstrated significant progress in code generation and refinement for complex reasoning tasks. In this work, we automate ToS (AutoToS), completely taking the human out of the loop of solving planning problems. AutoToS guides the language model step by step towards the generation of sound and complete search components, through feedback from both generic and domain specific unit tests. We achieve 100% accuracy, with minimal feedback iterations, using LLMs of various sizes on all evaluated domains.

Pre-trained on massive amounts of code and text data, large language models (LLMs) have demonstrated remarkable achievements in performing code generation tasks. With additional execution-based feedback, these models can act as agents with capabilities to self-refine and improve generated code autonomously. However, on challenging coding tasks with extremely large search space, current agentic approaches still struggle with multi-stage planning, generating, and debugging. To address this problem, we propose CodeTree, a framework for LLM agents to efficiently explore the search space in different stages of the code generation process. Specifically, we adopted a unified tree structure to explicitly explore different coding strategies, generate corresponding coding solutions, and subsequently refine the solutions. In each stage, critical decision-making (ranking, termination, expanding) of the exploration process is guided by both the environmental execution-based feedback and LLM-agent-generated feedback. We comprehensively evaluated CodeTree on 7 code generation benchmarks and demonstrated the significant performance gains of CodeTree against strong baselines. Using GPT-4o as the base model, we consistently achieved top results of 95.1 on HumanEval, 98.7 on MBPP, and 43.0 on CodeContests. On the challenging SWEBench benchmark, our approach led to significant performance gains.

Tool-integrated reasoning (TIR) augments large language models (LLMs) with the ability to invoke external tools, such as search engines and code interpreters, to solve tasks beyond the capabilities of language-only reasoning. While reinforcement learning (RL) has shown promise in improving TIR by optimizing final answer correctness, existing approaches often overlook the efficiency and cost associated with tool usage. This can lead to suboptimal behavior, including excessive tool calls that increase computational and financial overhead, or insufficient tool use that compromises answer quality. In this work, we propose Optimal Tool Call-controlled Policy Optimization (OTC-PO), a simple yet effective RL-based framework that encourages models to produce accurate answers with minimal tool calls. Our method introduces a tool-integrated reward that jointly considers correctness and tool efficiency, promoting high tool productivity. We instantiate this framework within both Proximal Policy Optimization (PPO) and Group Relative Preference Optimization (GRPO), resulting in OTC-PPO and OTC-GRPO. Experiments with Qwen-2.5 and Qwen-Math across multiple QA benchmarks show that our approach reduces tool calls by up to 73.1\% and improves tool productivity by up to 229.4\%, while maintaining comparable answer accuracy. To the best of our knowledge, this is the first RL-based framework that explicitly optimizes tool-use efficiency in TIR.

Symbolic regression (SR) is an area of interpretable machine learning that aims to identify mathematical expressions, often composed of simple functions, that best fit in a given set of covariates X and response y. In recent years, deep symbolic regression (DSR) has emerged as a popular method in the field by leveraging deep reinforcement learning to solve the complicated combinatorial search problem. In this work, we propose an alternative framework (GFN-SR) to approach SR with deep learning. We model the construction of an expression tree as traversing through a directed acyclic graph (DAG) so that GFlowNet can learn a stochastic policy to generate such trees sequentially. Enhanced with an adaptive reward baseline, our method is capable of generating a diverse set of best-fitting expressions. Notably, we observe that GFN-SR outperforms other SR algorithms in noisy data regimes, owing to its ability to learn a distribution of rewards over a space of candidate solutions.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

State-of-the-art large language models (LLMs) exhibit impressive problem-solving capabilities but may struggle with complex reasoning and factual correctness. Existing methods harness the strengths of chain-of-thought and retrieval-augmented generation (RAG) to decompose a complex problem into simpler steps and apply retrieval to improve factual correctness. These methods work well on straightforward reasoning tasks but often falter on challenging tasks such as competitive programming and mathematics, due to frequent reasoning errors and irrelevant knowledge retrieval. To address this, we introduce Critic-guided planning with Retrieval-augmentation, CR-Planner, a novel framework that leverages fine-tuned critic models to guide both reasoning and retrieval processes through planning. CR-Planner solves a problem by iteratively selecting and executing sub-goals. Initially, it identifies the most promising sub-goal from reasoning, query generation, and retrieval, guided by rewards given by a critic model named sub-goal critic. It then executes this sub-goal through sampling and selecting the optimal output based on evaluations from another critic model named execution critic. This iterative process, informed by retrieved information and critic models, enables CR-Planner to effectively navigate the solution space towards the final answer. We employ Monte Carlo Tree Search to collect the data for training the critic models, allowing for a systematic exploration of action sequences and their long-term impacts. We validate CR-Planner on challenging domain-knowledge-intensive and reasoning-heavy tasks, including competitive programming, theorem-driven math reasoning, and complex domain retrieval problems. Our experiments demonstrate that CR-Planner significantly outperforms baselines, highlighting its effectiveness in addressing challenging problems by improving both reasoning and retrieval.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

Optimization problems over dynamic networks have been extensively studied and widely used in the past decades to formulate numerous real-world problems. However, (1) traditional optimization-based approaches do not scale to large networks, and (2) the design of good heuristics or approximation algorithms often requires significant manual trial-and-error. In this work, we argue that data-driven strategies can automate this process and learn efficient algorithms without compromising optimality. To do so, we present network control problems through the lens of reinforcement learning and propose a graph network-based framework to handle a broad class of problems. Instead of naively computing actions over high-dimensional graph elements, e.g., edges, we propose a bi-level formulation where we (1) specify a desired next state via RL, and (2) solve a convex program to best achieve it, leading to drastically improved scalability and performance. We further highlight a collection of desirable features to system designers, investigate design decisions, and present experiments on real-world control problems showing the utility, scalability, and flexibility of our framework.

While showing sophisticated reasoning abilities, large language models (LLMs) still struggle with long-horizon decision-making tasks due to deficient exploration and long-term credit assignment, especially in sparse-reward scenarios. Inspired by the divide-and-conquer principle, we propose an innovative framework **GLIDER** (**G**rounding **L**anguage Models as Eff**I**cient **D**ecision-Making Agents via Offline Hi**E**rarchical **R**einforcement Learning) that introduces a parameter-efficient and generally applicable hierarchy to LLM policies. We develop a scheme where the low-level controller is supervised with abstract, step-by-step plans that are learned and instructed by the high-level policy. This design decomposes complicated problems into a series of coherent chain-of-thought reasoning sub-tasks, providing flexible temporal abstraction to significantly enhance exploration and learning for long-horizon tasks. Furthermore, GLIDER facilitates fast online adaptation to non-stationary environments owing to the strong transferability of its task-agnostic low-level skills. Experiments on ScienceWorld and ALFWorld benchmarks show that GLIDER achieves consistent performance gains, along with enhanced generalization capabilities.

Reasoning language models have shown an uncanny ability to improve performance at test-time by ``thinking longer''-that is, by generating longer chain-of-thought sequences and hence using more compute. However, the length of their chain-of-thought reasoning is not controllable, making it impossible to allocate test-time compute to achieve a desired level of performance. We introduce Length Controlled Policy Optimization (LCPO), a simple reinforcement learning method that optimizes for accuracy and adherence to user-specified length constraints. We use LCPO to train L1, a reasoning language model that produces outputs satisfying a length constraint given in its prompt. L1's length control allows for smoothly trading off computational cost and accuracy on a wide range of tasks, and outperforms the state-of-the-art S1 method for length control. Furthermore, we uncover an unexpected short chain-of-thought capability in models trained with LCPO. For instance, our 1.5B L1 model surpasses GPT-4o at equal reasoning lengths. Overall, LCPO enables precise control over reasoning length, allowing for fine-grained allocation of test-time compute and accuracy. We release code and models at https://www.cmu-l3.github.io/l1

We study why Tool-Integrated Reasoning (TIR) makes Large Language Models (LLMs) more capable. While LLMs integrated with tools like Python code interpreters show great promise, a principled theory explaining why this paradigm is effective has been missing. This work provides the first formal proof that TIR fundamentally expands an LLM's capabilities. We demonstrate that tools enable a strict expansion of the model's empirical and feasible support, breaking the capability ceiling of pure-text models by unlocking problem-solving strategies that are otherwise impossible or intractably verbose. To guide model behavior without compromising training stability and performance, we also introduce Advantage Shaping Policy Optimization (ASPO), a novel algorithm that directly modifies the advantage function to guide the policy behavior. We conduct comprehensive experiments on challenging mathematical benchmarks, leveraging a Python interpreter as the external tool. Our results show that the TIR model decisively outperforms its pure-text counterpart on the pass@k metric. Crucially, this advantage is not confined to computationally-intensive problems but extends to those requiring significant abstract insight. We further identify the emergent cognitive patterns that illustrate how models learn to think with tools. Finally, we report improved tool usage behavior with early code invocation and much more interactive turns with ASPO. Overall, our work provides the first principled explanation for TIR's success, shifting the focus from the mere fact that tools work to why and how they enable more powerful reasoning.

Reinforcement Learning with Verifiable Rewards (RLVR), particularly with algorithms like Group Relative Policy Optimization (GRPO), has proven highly effective in enhancing the reasoning capabilities of large language models. However, a critical bottleneck in current pipelines lies in the limited diversity of sampled trajectories during group rollouts. Homogeneous trajectories and their associated rewards would diminish the return signals for policy updates, thereby hindering effective policy learning. This lack of diversity stems primarily from token-level stochastic sampling, where local variations are likely to collapse into near-identical reasoning paths. To address this limitation, we propose Lookahead Tree-Based Rollouts (LATR), a novel rollout strategy designed to explicitly promotes trajectory-level diversity by enforcing branching into different candidate tokens likely to yield distinct continuations. Specifically, LATR iteratively operates in three stages: (1) branching at high-uncertainty generation steps, (2) performing lookahead simulation for each new branch, and (3) pruning branches that exhibits prolonged similarity during simulation. Compared with stochastic Sampling, LATR accelerates policy learning by 131% on average and improves final pass@1 performance by 4.2% on both GRPO and Dynamic sAmpling Policy Optimization (DAPO) algorithms across different reasoning tasks. Our code and data are publicly available at https://github.com/starreeze/latr.

Neural Architecture Search (NAS) has garnered significant research interest due to its capability to discover architectures superior to manually designed ones. Learning text representation is crucial for text classification and other language-related tasks. The NAS model used in text classification does not have a Hybrid hierarchical structure, and there is no restriction on the architecture structure, due to which the search space becomes very large and mostly redundant, so the existing RL models are not able to navigate the search space effectively. Also, doing a flat architecture search leads to an unorganised search space, which is difficult to traverse. For this purpose, we propose HHNAS-AM (Hierarchical Hybrid Neural Architecture Search with Adaptive Mutation Policies), a novel approach that efficiently explores diverse architectural configurations. We introduce a few architectural templates to search on which organise the search spaces, where search spaces are designed on the basis of domain-specific cues. Our method employs mutation strategies that dynamically adapt based on performance feedback from previous iterations using Q-learning, enabling a more effective and accelerated traversal of the search space. The proposed model is fully probabilistic, enabling effective exploration of the search space. We evaluate our approach on the database id (db_id) prediction task, where it consistently discovers high-performing architectures across multiple experiments. On the Spider dataset, our method achieves an 8% improvement in test accuracy over existing baselines.

One of the fundamental challenges in reinforcement learning (RL) is to take a complex task and be able to decompose it to subtasks that are simpler for the RL agent to learn. In this paper, we report on our work that would identify subtasks by using some given positive and negative trajectories for solving the complex task. We assume that the states are represented by first-order predicate logic using which we devise a novel algorithm to identify the subtasks. Then we employ a Large Language Model (LLM) to generate first-order logic rule templates for achieving each subtask. Such rules were then further fined tuned to a rule-based policy via an Inductive Logic Programming (ILP)-based RL agent. Through experiments, we verify the accuracy of our algorithm in detecting subtasks which successfully detect all of the subtasks correctly. We also investigated the quality of the common-sense rules produced by the language model to achieve the subtasks. Our experiments show that our LLM-guided rule template generation can produce rules that are necessary for solving a subtask, which leads to solving complex tasks with fewer assumptions about predefined first-order logic predicates of the environment.

Large reasoning models achieve remarkable performance through extensive chain-of-thought generation, yet exhibit significant computational inefficiency by applying uniform reasoning strategies regardless of problem complexity. We present Hierarchical Budget Policy Optimization (HBPO), a reinforcement learning framework that enables models to learn problem-specific reasoning depths without sacrificing capability. HBPO addresses the fundamental challenge of exploration space collapse in efficiency-oriented training, where penalties on long output length systematically bias models away from necessary long reasoning paths. Through hierarchical budget exploration, our approach partitions rollout samples into multiple subgroups with distinct token budgets, aiming to enable efficient resource allocation while preventing degradation of capability. We introduce differentiated reward mechanisms that create budget-aware incentives aligned with the complexity of the problem, allowing models to discover natural correspondences between task requirements and computational effort. Extensive experiments demonstrate that HBPO reduces average token usage by up to 60.6% while improving accuracy by 3.14% across four reasoning benchmarks. Unlike existing methods that impose external constraints or rely on discrete mode selection, HBPO exhibits emergent adaptive behavior where models automatically adjust reasoning depth based on problem complexity. Our results suggest that reasoning efficiency and capability are not inherently conflicting, and can be simultaneously optimized through appropriately structured hierarchical training that preserves exploration diversity.

Large Language Models (LLMs) were shown to struggle with long-term planning, which may be caused by the limited way in which they explore the space of possible solutions. We propose an architecture where a Reinforcement Learning (RL) Agent guides an LLM's space exploration: (1) the Agent has access to domain-specific information, and can therefore make decisions about the quality of candidate solutions based on specific and relevant metrics, which were not explicitly considered by the LLM's training objective; (2) the LLM can focus on generating immediate next steps, without the need for long-term planning. We allow non-linear reasoning by exploring alternative paths and backtracking. We evaluate this architecture on the program equivalence task, and compare it against Chain of Thought (CoT) and Tree of Thoughts (ToT). We assess both the downstream task, denoting the binary classification, and the intermediate reasoning steps. Our approach compares positively against CoT and ToT.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

LLM-based autonomous agents often fail to execute complex web tasks that require dynamic interaction due to the inherent uncertainty and complexity of these environments. Existing LLM-based web agents typically rely on rigid, expert-designed policies specific to certain states and actions, which lack the flexibility and generalizability needed to adapt to unseen tasks. In contrast, humans excel by exploring unknowns, continuously adapting strategies, and resolving ambiguities through exploration. To emulate human-like adaptability, web agents need strategic exploration and complex decision-making. Monte Carlo Tree Search (MCTS) is well-suited for this, but classical MCTS struggles with vast action spaces, unpredictable state transitions, and incomplete information in web tasks. In light of this, we develop WebPilot, a multi-agent system with a dual optimization strategy that improves MCTS to better handle complex web environments. Specifically, the Global Optimization phase involves generating a high-level plan by breaking down tasks into manageable subtasks and continuously refining this plan, thereby focusing the search process and mitigating the challenges posed by vast action spaces in classical MCTS. Subsequently, the Local Optimization phase executes each subtask using a tailored MCTS designed for complex environments, effectively addressing uncertainties and managing incomplete information. Experimental results on WebArena and MiniWoB++ demonstrate the effectiveness of WebPilot. Notably, on WebArena, WebPilot achieves SOTA performance with GPT-4, achieving a 93% relative increase in success rate over the concurrent tree search-based method. WebPilot marks a significant advancement in general autonomous agent capabilities, paving the way for more advanced and reliable decision-making in practical environments.

RAG systems consist of multiple modules to work together. However, these modules are usually separately trained. We argue that a system like RAG that incorporates multiple modules should be jointly optimized to achieve optimal performance. To demonstrate this, we design a specific pipeline called SmartRAG that includes a policy network and a retriever. The policy network can serve as 1) a decision maker that decides when to retrieve, 2) a query rewriter to generate a query most suited to the retriever, and 3) an answer generator that produces the final response with/without the observations. We then propose to jointly optimize the whole system using a reinforcement learning algorithm, with the reward designed to encourage the system to achieve the best performance with minimal retrieval cost. When jointly optimized, all the modules can be aware of how other modules are working and thus find the best way to work together as a complete system. Empirical results demonstrate that the jointly optimized SmartRAG can achieve better performance than separately optimized counterparts.

Learning to search is the task of building artificial agents that learn to autonomously use a search box to find information. So far, it has been shown that current language models can learn symbolic query reformulation policies, in combination with traditional term-based retrieval, but fall short of outperforming neural retrievers. We extend the previous learning to search setup to a hybrid environment, which accepts discrete query refinement operations, after a first-pass retrieval step via a dual encoder. Experiments on the BEIR task show that search agents, trained via behavioral cloning, outperform the underlying search system based on a combined dual encoder retriever and cross encoder reranker. Furthermore, we find that simple heuristic Hybrid Retrieval Environments (HRE) can improve baseline performance by several nDCG points. The search agent based on HRE (HARE) matches state-of-the-art performance, balanced in both zero-shot and in-domain evaluations, via interpretable actions, and at twice the speed.

The emergence of Multimodal Large Language Models (MLLMs) has propelled the development of autonomous agents that operate on Graphical User Interfaces (GUIs) using pure visual input. A fundamental challenge is robustly grounding natural language instructions. This requires a precise spatial alignment, which accurately locates the coordinates of each element, and, more critically, a correct semantic alignment, which matches the instructions to the functionally appropriate UI element. Although Reinforcement Learning with Verifiable Rewards (RLVR) has proven to be effective at improving spatial alignment for these MLLMs, we find that inefficient exploration bottlenecks semantic alignment, which prevent models from learning difficult semantic associations. To address this exploration problem, we present Adaptive Exploration Policy Optimization (AEPO), a new policy optimization framework. AEPO employs a multi-answer generation strategy to enforce broader exploration, which is then guided by a theoretically grounded Adaptive Exploration Reward (AER) function derived from first principles of efficiency eta=U/C. Our AEPO-trained models, InfiGUI-G1-3B and InfiGUI-G1-7B, establish new state-of-the-art results across multiple challenging GUI grounding benchmarks, achieving significant relative improvements of up to 9.0% against the naive RLVR baseline on benchmarks designed to test generalization and semantic understanding. Resources are available at https://github.com/InfiXAI/InfiGUI-G1.

Socratic questioning is an effective teaching strategy, encouraging critical thinking and problem-solving. The conversational capabilities of large language models (LLMs) show great potential for providing scalable, real-time student guidance. However, current LLMs often give away solutions directly, making them ineffective instructors. We tackle this issue in the code debugging domain with TreeInstruct, an Instructor agent guided by a novel state space-based planning algorithm. TreeInstruct asks probing questions to help students independently identify and resolve errors. It estimates a student's conceptual and syntactical knowledge to dynamically construct a question tree based on their responses and current knowledge state, effectively addressing both independent and dependent mistakes concurrently in a multi-turn interaction setting. In addition to using an existing single-bug debugging benchmark, we construct a more challenging multi-bug dataset of 150 coding problems, incorrect solutions, and bug fixes -- all carefully constructed and annotated by experts. Extensive evaluation shows TreeInstruct's state-of-the-art performance on both datasets, proving it to be a more effective instructor than baselines. Furthermore, a real-world case study with five students of varying skill levels further demonstrates TreeInstruct's ability to guide students to debug their code efficiently with minimal turns and highly Socratic questioning.

Decision-focused learning (DFL) is an emerging paradigm that integrates machine learning (ML) and constrained optimization to enhance decision quality by training ML models in an end-to-end system. This approach shows significant potential to revolutionize combinatorial decision-making in real-world applications that operate under uncertainty, where estimating unknown parameters within decision models is a major challenge. This paper presents a comprehensive review of DFL, providing an in-depth analysis of both gradient-based and gradient-free techniques used to combine ML and constrained optimization. It evaluates the strengths and limitations of these techniques and includes an extensive empirical evaluation of eleven methods across seven problems. The survey also offers insights into recent advancements and future research directions in DFL. Code and benchmark: https://github.com/PredOpt/predopt-benchmarks

Recent work within the Argument Mining community has shown the applicability of Natural Language Processing systems for solving problems found within competitive debate. One of the most important tasks within competitive debate is for debaters to create high quality debate cases. We show that effective debate cases can be constructed using constrained shortest path traversals on Argumentative Semantic Knowledge Graphs. We study this potential in the context of a type of American Competitive Debate, called Policy Debate, which already has a large scale dataset targeting it called DebateSum. We significantly improve upon DebateSum by introducing 53180 new examples, as well as further useful metadata for every example, to the dataset. We leverage the txtai semantic search and knowledge graph toolchain to produce and contribute 9 semantic knowledge graphs built on this dataset. We create a unique method for evaluating which knowledge graphs are better in the context of producing policy debate cases. A demo which automatically generates debate cases, along with all other code and the Knowledge Graphs, are open-sourced and made available to the public here: https://github.com/Hellisotherpeople/DebateKG

Offline reinforcement learning (RL) optimizes the policy on a previously collected dataset without any interactions with the environment, yet usually suffers from the distributional shift problem. To mitigate this issue, a typical solution is to impose a policy constraint on a policy improvement objective. However, existing methods generally adopt a ``one-size-fits-all'' practice, i.e., keeping only a single improvement-constraint balance for all the samples in a mini-batch or even the entire offline dataset. In this work, we argue that different samples should be treated with different policy constraint intensities. Based on this idea, a novel plug-in approach named Guided Offline RL (GORL) is proposed. GORL employs a guiding network, along with only a few expert demonstrations, to adaptively determine the relative importance of the policy improvement and policy constraint for every sample. We theoretically prove that the guidance provided by our method is rational and near-optimal. Extensive experiments on various environments suggest that GORL can be easily installed on most offline RL algorithms with statistically significant performance improvements.

This paper introduces a new principled approach for off-policy learning in contextual bandits. Unlike previous work, our approach does not derive learning principles from intractable or loose bounds. We analyse the problem through the PAC-Bayesian lens, interpreting policies as mixtures of decision rules. This allows us to propose novel generalization bounds and provide tractable algorithms to optimize them. We prove that the derived bounds are tighter than their competitors, and can be optimized directly to confidently improve upon the logging policy offline. Our approach learns policies with guarantees, uses all available data and does not require tuning additional hyperparameters on held-out sets. We demonstrate through extensive experiments the effectiveness of our approach in providing performance guarantees in practical scenarios.

The advent of large language models (LLMs) has sparked significant interest in using natural language for preference learning. However, existing methods often suffer from high computational burdens, taxing human supervision, and lack of interpretability. To address these issues, we introduce MAPLE, a framework for large language model-guided Bayesian active preference learning. MAPLE leverages LLMs to model the distribution over preference functions, conditioning it on both natural language feedback and conventional preference learning feedback, such as pairwise trajectory rankings. MAPLE also employs active learning to systematically reduce uncertainty in this distribution and incorporates a language-conditioned active query selection mechanism to identify informative and easy-to-answer queries, thus reducing human burden. We evaluate MAPLE's sample efficiency and preference inference quality across two benchmarks, including a real-world vehicle route planning benchmark using OpenStreetMap data. Our results demonstrate that MAPLE accelerates the learning process and effectively improves humans' ability to answer queries.

A popular approach for sequential decision-making is to perform simulator-based search guided with Machine Learning (ML) methods like policy learning. On the other hand, model-relaxation heuristics can guide the search effectively if a full declarative model is available. In this work, we consider how a practitioner can improve ML-based black-box planning on settings where a complete symbolic model is not available. We show that specifying an incomplete STRIPS model that describes only part of the problem enables the use of relaxation heuristics. Our findings on several planning domains suggest that this is an effective way to improve ML-based black-box planning beyond collecting more data or tuning ML architectures.

Answering complex logical queries on incomplete knowledge graphs is a challenging task, and has been widely studied. Embedding-based methods require training on complex queries, and cannot generalize well to out-of-distribution query structures. Recent work frames this task as an end-to-end optimization problem, and it only requires a pretrained link predictor. However, due to the exponentially large combinatorial search space, the optimal solution can only be approximated, limiting the final accuracy. In this work, we propose QTO (Query Computation Tree Optimization) that can efficiently find the exact optimal solution. QTO finds the optimal solution by a forward-backward propagation on the tree-like computation graph, i.e., query computation tree. In particular, QTO utilizes the independence encoded in the query computation tree to reduce the search space, where only local computations are involved during the optimization procedure. Experiments on 3 datasets show that QTO obtains state-of-the-art performance on complex query answering, outperforming previous best results by an average of 22%. Moreover, QTO can interpret the intermediate solutions for each of the one-hop atoms in the query with over 90% accuracy. The code of our paper is at https://github.com/bys0318/QTO.

Efficiently solving problems with large action spaces using A* search has been of importance to the artificial intelligence community for decades. This is because the computation and memory requirements of A* search grow linearly with the size of the action space. This burden becomes even more apparent when A* search uses a heuristic function learned by computationally expensive function approximators, such as deep neural networks. To address this problem, we introduce Q* search, a search algorithm that uses deep Q-networks to guide search in order to take advantage of the fact that the sum of the transition costs and heuristic values of the children of a node can be computed with a single forward pass through a deep Q-network without explicitly generating those children. This significantly reduces computation time and requires only one node to be generated per iteration. We use Q* search to solve the Rubik's cube when formulated with a large action space that includes 1872 meta-actions and find that this 157-fold increase in the size of the action space incurs less than a 4-fold increase in computation time and less than a 3-fold increase in number of nodes generated when performing Q* search. Furthermore, Q* search is up to 129 times faster and generates up to 1288 times fewer nodes than A* search. Finally, although obtaining admissible heuristic functions from deep neural networks is an ongoing area of research, we prove that Q* search is guaranteed to find a shortest path given a heuristic function that neither overestimates the cost of a shortest path nor underestimates the transition cost.

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.

Policy constraint methods to offline reinforcement learning (RL) typically utilize parameterization or regularization that constrains the policy to perform actions within the support set of the behavior policy. The elaborative designs of parameterization methods usually intrude into the policy networks, which may bring extra inference cost and cannot take full advantage of well-established online methods. Regularization methods reduce the divergence between the learned policy and the behavior policy, which may mismatch the inherent density-based definition of support set thereby failing to avoid the out-of-distribution actions effectively. This paper presents Supported Policy OpTimization (SPOT), which is directly derived from the theoretical formalization of the density-based support constraint. SPOT adopts a VAE-based density estimator to explicitly model the support set of behavior policy and presents a simple but effective density-based regularization term, which can be plugged non-intrusively into off-the-shelf off-policy RL algorithms. SPOT achieves the state-of-the-art performance on standard benchmarks for offline RL. Benefiting from the pluggable design, offline pretrained models from SPOT can also be applied to perform online fine-tuning seamlessly.

While large language models have demonstrated impressive capabilities in web navigation tasks, the extensive context of web pages, often represented as DOM or Accessibility Tree (AxTree) structures, frequently exceeds model context limits. Current approaches like bottom-up truncation or embedding-based retrieval lose critical information about page state and action history. This is particularly problematic for adaptive planning in web agents, where understanding the current state is essential for determining future actions. We hypothesize that embedding models lack sufficient capacity to capture plan-relevant information, especially when retrieving content that supports future action prediction. This raises a fundamental question: how can retrieval methods be optimized for adaptive planning in web navigation tasks? In response, we introduce LineRetriever, a novel approach that leverages a language model to identify and retrieve observation lines most relevant to future navigation steps. Unlike traditional retrieval methods that focus solely on semantic similarity, LineRetriever explicitly considers the planning horizon, prioritizing elements that contribute to action prediction. Our experiments demonstrate that LineRetriever can reduce the size of the observation at each step for the web agent while maintaining consistent performance within the context limitations.

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.

We argue that inventory management presents unique opportunities for the reliable application of deep reinforcement learning (DRL). To enable this, we emphasize and test two complementary techniques. The first is Hindsight Differentiable Policy Optimization (HDPO), which uses pathwise gradients from offline counterfactual simulations to directly and efficiently optimize policy performance. Unlike standard policy gradient methods that rely on high-variance score-function estimators, HDPO computes gradients by differentiating through the known system dynamics. Via extensive benchmarking, we show that HDPO recovers near-optimal policies in settings with known or bounded optima, is more robust than variants of the REINFORCE algorithm, and significantly outperforms generalized newsvendor heuristics on problems using real time series data. Our second technique aligns neural policy architectures with the topology of the inventory network. We exploit Graph Neural Networks (GNNs) as a natural inductive bias for encoding supply chain structure, demonstrate that they can represent optimal and near-optimal policies in two theoretical settings, and empirically show that they reduce data requirements across six diverse inventory problems. A key obstacle to progress in this area is the lack of standardized benchmark problems. To address this gap, we open-source a suite of benchmark environments, along with our full codebase, to promote transparency and reproducibility. All resources are available at github.com/MatiasAlvo/Neural_inventory_control.

Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our B-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated B-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.

Off-policy reinforcement learning (RL) for large language models (LLMs) is attracting growing interest, driven by practical constraints in real-world applications, the complexity of LLM-RL infrastructure, and the need for further innovations of RL methodologies. While classic REINFORCE and its modern variants like Group Relative Policy Optimization (GRPO) are typically regarded as on-policy algorithms with limited tolerance of off-policyness, we present in this work a first-principles derivation for group-relative REINFORCE without assuming a specific training data distribution, showing that it admits a native off-policy interpretation. This perspective yields two general principles for adapting REINFORCE to off-policy settings: regularizing policy updates, and actively shaping the data distribution. Our analysis demystifies some myths about the roles of importance sampling and clipping in GRPO, unifies and reinterprets two recent algorithms -- Online Policy Mirror Descent (OPMD) and Asymmetric REINFORCE (AsymRE) -- as regularized forms of the REINFORCE loss, and offers theoretical justification for seemingly heuristic data-weighting strategies. Our findings lead to actionable insights that are validated with extensive empirical studies, and open up new opportunities for principled algorithm design in off-policy RL for LLMs. Source code for this work is available at https://github.com/modelscope/Trinity-RFT/tree/main/examples/rec_gsm8k.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

Continuous control tasks often involve high-dimensional, dynamic, and non-linear environments. State-of-the-art performance in these tasks is achieved through complex closed-box policies that are effective, but suffer from an inherent opacity. Interpretable policies, while generally underperforming compared to their closed-box counterparts, advantageously facilitate transparent decision-making within automated systems. Hence, their usage is often essential for diagnosing and mitigating errors, supporting ethical and legal accountability, and fostering trust among stakeholders. In this paper, we propose SMOSE, a novel method to train sparsely activated interpretable controllers, based on a top-1 Mixture-of-Experts architecture. SMOSE combines a set of interpretable decisionmakers, trained to be experts in different basic skills, and an interpretable router that assigns tasks among the experts. The training is carried out via state-of-the-art Reinforcement Learning algorithms, exploiting load-balancing techniques to ensure fair expert usage. We then distill decision trees from the weights of the router, significantly improving the ease of interpretation. We evaluate SMOSE on six benchmark environments from MuJoCo: our method outperforms recent interpretable baselines and narrows the gap with noninterpretable state-of-the-art algorithms

This paper proposes a novel deep reinforcement learning architecture that was inspired by previous tree structured architectures which were only useable in discrete action spaces. Policy Prediction Network offers a way to improve sample complexity and performance on continuous control problems in exchange for extra computation at training time but at no cost in computation at rollout time. Our approach integrates a mix between model-free and model-based reinforcement learning. Policy Prediction Network is the first to introduce implicit model-based learning to Policy Gradient algorithms for continuous action space and is made possible via the empirically justified clipping scheme. Our experiments are focused on the MuJoCo environments so that they can be compared with similar work done in this area.

Large Language Model (LLM)-based agentic systems rely on in-context policy documents encoding diverse business rules. As requirements grow, these documents expand rapidly, causing high computational overhead. This motivates developing internalization methods that embed policy documents into model priors while preserving performance. Prior prompt compression work targets generic prompts, but agentic policy documents span multiple complexity levels and require deeper reasoning, making internalization harder. We introduce CC-Gen, an agentic benchmark generator with Controllable Complexity across four levels, enabling systematic evaluation of agents' ability to handle complexity and offering a unified framework for assessing policy internalization. Our analysis shows that complex policy specifications governing workflows pose major reasoning challenges. Supporting internalization with gold user agent interaction trajectories containing chain-of-thought (CoT) annotations via supervised fine-tuning (SFT) is data-intensive and degrades sharply as policy complexity increases. To mitigate data and reasoning burdens, we propose Category-Aware Policy Continued Pretraining (CAP-CPT). Our automated pipeline parses policy documents to extract key specifications, grouping them into factual, behavioral, and conditional categories, and isolating complex conditions that drive workflow complexity. This guides targeted data synthesis and enables agents to internalize policy information through an autoregressive pretraining loss. Experiments show CAP-CPT improves SFT baselines in all settings, with up to 41% and 22% gains on Qwen-3-32B, achieving 97.3% prompt length reduction on CC-Gen and further enhancing tau-Bench with minimal SFT data.

Domain-independent heuristics have long been a cornerstone of AI planning, offering general solutions applicable across a wide range of tasks without requiring domain-specific engineering. However, the advent of large language models (LLMs) presents an opportunity to generate heuristics tailored to specific planning problems, potentially challenging the necessity of domain independence as a strict design principle. In this paper, we explore the use of LLMs to automatically derive planning heuristics from task descriptions represented as successor generators and goal tests written in general purpose programming language. We investigate the trade-offs between domain-specific LLM-generated heuristics and traditional domain-independent methods in terms of computational efficiency and explainability. Our experiments demonstrate that LLMs can create heuristics that achieve state-of-the-art performance on some standard IPC domains, as well as their ability to solve problems that lack an adequate Planning Domain Definition Language ({\sc pddl}) representation. We discuss whether these results signify a paradigm shift and how they can complement existing approaches.

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.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

Planning with a learned model is arguably a key component of intelligence. There are several challenges in realizing such a component in large-scale reinforcement learning (RL) problems. One such challenge is dealing effectively with continuous action spaces when using tree-search planning (e.g., it is not feasible to consider every action even at just the root node of the tree). In this paper we present a method for selecting affordances useful for planning -- for learning which small number of actions/options from a continuous space of actions/options to consider in the tree-expansion process during planning. We consider affordances that are goal-and-state-conditional mappings to actions/options as well as unconditional affordances that simply select actions/options available in all states. Our selection method is gradient based: we compute gradients through the planning procedure to update the parameters of the function that represents affordances. Our empirical work shows that it is feasible to learn to select both primitive-action and option affordances, and that simultaneously learning to select affordances and planning with a learned value-equivalent model can outperform model-free RL.

This work reframes the Text-to-SQL task as a pathway for teaching large language models (LLMs) to reason over and manipulate tabular data--moving beyond the traditional focus on query generation. We propose a two-stage framework that leverages SQL supervision to develop transferable table reasoning capabilities. First, we synthesize detailed chain-of-thought (CoT) traces from real-world SQL queries, providing step-by-step, clause-level supervision that teaches the model how to traverse, filter, and aggregate table fields. Second, we introduce a Group Relative Policy Optimization (GRPO) reinforcement learning objective that connects SQL execution accuracy to generalizable reasoning by encouraging steps that extend beyond task-specific syntax and transfer across datasets. Empirically, our approach improves performance on standard Text-to-SQL benchmarks and achieves substantial gains on reasoning-intensive datasets such as BIRD and CRT-QA, demonstrating enhanced generalization and interpretability. Specifically, the distilled-quantized LLaMA model achieved a relative 33.9\% increase in accuracy when trained on Text-to-SQL tasks, while Qwen achieved a relative 14.5\% increase. These results suggest that SQL can serve not only as a target formalism but also as an effective scaffold for learning robust, transferable reasoning over structured data.

Direct Preference Optimization (DPO) has become a widely used training method for the instruction fine-tuning of large language models (LLMs). In this work, we explore an under-investigated aspect of DPO - its dependency on the reference model or policy. Such reference policies, typically instantiated as the model to be further fine-tuned, are important since they can impose an upper limit on DPO's effectiveness. Therefore, we address three related research questions in this work. First, we explore the optimal strength of the KL-divergence constraint in DPO, which penalizes deviations from the reference policy, and find that DPO is sensitive to this strength. Next, we examine the necessity of reference policies for instruction fine-tuning by providing both theoretical and empirical comparisons between DPO and related learning objectives, demonstrating DPO's superiority. Additionally, we investigate whether DPO benefits from stronger reference policies, finding that a stronger reference policy can lead to improved performance, but only when it is similar to the model being fine-tuned. Our findings highlight the confounding role of reference policies in DPO and offer insights for best practices, while also identifying open research questions for future studies.

Language models as intelligent agents push the boundaries of sequential decision-making agents but struggle with limited knowledge of environmental dynamics and exponentially huge action space. Recent efforts like GLAM and TWOSOME manually constrain the action space to a restricted subset and employ reinforcement learning to align agents' knowledge with specific environments. However, they overlook fine-grained credit assignments for intra-action tokens, which is essential for efficient language agent optimization, and rely on human's prior knowledge to restrict action space. This paper proposes decomposing language agent optimization from the action level to the token level, offering finer supervision for each intra-action token and manageable optimization complexity in environments with unrestricted action spaces. Beginning with the simplification of flattening all actions, we theoretically explore the discrepancies between action-level optimization and this naive token-level optimization. We then derive the Bellman backup with Action Decomposition (BAD) to integrate credit assignments for both intra-action and inter-action tokens, effectively eliminating the discrepancies. Implementing BAD within the PPO algorithm, we introduce Policy Optimization with Action Decomposition (POAD). POAD benefits from a finer-grained credit assignment process and lower optimization complexity, leading to enhanced learning efficiency and generalization abilities in aligning language agents with interactive environments. We validate POAD across diverse testbeds, with results affirming the advantages of our approach and the correctness of our theoretical analysis.

Machine learning (ML) methods already permeate environmental decision-making, from processing high-dimensional data on earth systems to monitoring compliance with environmental regulations. Of the ML techniques available to address pressing environmental problems (e.g., climate change, biodiversity loss), Reinforcement Learning (RL) may both hold the greatest promise and present the most pressing perils. This paper explores how RL-driven policy refracts existing power relations in the environmental domain while also creating unique challenges to ensuring equitable and accountable environmental decision processes. We leverage examples from RL applications to climate change mitigation and fisheries management to explore how RL technologies shift the distribution of power between resource users, governing bodies, and private industry.

On-policy reinforcement learning (RL) has become a popular framework for solving sequential decision problems due to its computational efficiency and theoretical simplicity. Some on-policy methods guarantee every policy update is constrained to a trust region relative to the prior policy to ensure training stability. These methods often require computationally intensive non-linear optimization or require a particular form of action distribution. In this work, we show that applying KL penalization alone is nearly sufficient to enforce such trust regions. Then, we show that introducing a "fixup" phase is sufficient to guarantee a trust region is enforced on every policy update while adding fewer than 5% additional gradient steps in practice. The resulting algorithm, which we call FixPO, is able to train a variety of policy architectures and action spaces, is easy to implement, and produces results competitive with other trust region methods.

Recent LLM-driven visual agents mainly focus on solving image-based tasks, which limits their ability to understand dynamic scenes, making it far from real-life applications like guiding students in laboratory experiments and identifying their mistakes. Considering the video modality better reflects the ever-changing nature of real-world scenarios, we devise DoraemonGPT, a comprehensive and conceptually elegant system driven by LLMs to handle dynamic video tasks. Given a video with a question/task, DoraemonGPT begins by converting the input video into a symbolic memory that stores task-related attributes. This structured representation allows for spatial-temporal querying and reasoning by well-designed sub-task tools, resulting in concise intermediate results. Recognizing that LLMs have limited internal knowledge when it comes to specialized domains (e.g., analyzing the scientific principles underlying experiments), we incorporate plug-and-play tools to assess external knowledge and address tasks across different domains. Moreover, a novel LLM-driven planner based on Monte Carlo Tree Search is introduced to explore the large planning space for scheduling various tools. The planner iteratively finds feasible solutions by backpropagating the result's reward, and multiple solutions can be summarized into an improved final answer. We extensively evaluate DoraemonGPT's effectiveness on three benchmarks and challenging in-the-wild scenarios. Code will be released at: https://github.com/z-x-yang/DoraemonGPT.

We introduce RL4CO, an extensive reinforcement learning (RL) for combinatorial optimization (CO) benchmark. RL4CO employs state-of-the-art software libraries as well as best practices in implementation, such as modularity and configuration management, to be efficient and easily modifiable by researchers for adaptations of neural network architecture, environments, and algorithms. Contrary to the existing focus on specific tasks like the traveling salesman problem (TSP) for performance assessment, we underline the importance of scalability and generalization capabilities for diverse optimization tasks. We also systematically benchmark sample efficiency, zero-shot generalization, and adaptability to changes in data distributions of various models. Our experiments show that some recent state-of-the-art methods fall behind their predecessors when evaluated using these new metrics, suggesting the necessity for a more balanced view of the performance of neural CO solvers. We hope RL4CO will encourage the exploration of novel solutions to complex real-world tasks, allowing to compare with existing methods through a standardized interface that decouples the science from the software engineering. We make our library publicly available at https://github.com/kaist-silab/rl4co.

Natural Language to SQL (NL2SQL) has emerged as a critical task for enabling seamless interaction with databases. Recent advancements in Large Language Models (LLMs) have demonstrated remarkable performance in this domain. However, existing NL2SQL methods predominantly rely on closed-source LLMs leveraging prompt engineering, while open-source models typically require fine-tuning to acquire domain-specific knowledge. Despite these efforts, open-source LLMs struggle with complex NL2SQL tasks due to the indirect expression of user query objectives and the semantic gap between user queries and database schemas. Inspired by the application of reinforcement learning in mathematical problem-solving to encourage step-by-step reasoning in LLMs, we propose LearNAT (Learning NL2SQL with AST-guided Task Decomposition), a novel framework that improves the performance of open-source LLMs on complex NL2SQL tasks through task decomposition and reinforcement learning. LearNAT introduces three key components: (1) a Decomposition Synthesis Procedure that leverages Abstract Syntax Trees (ASTs) to guide efficient search and pruning strategies for task decomposition, (2) Margin-aware Reinforcement Learning, which employs fine-grained step-level optimization via DPO with AST margins, and (3) Adaptive Demonstration Reasoning, a mechanism for dynamically selecting relevant examples to enhance decomposition capabilities. Extensive experiments on two benchmark datasets, Spider and BIRD, demonstrate that LearNAT enables a 7B-parameter open-source LLM to achieve performance comparable to GPT-4, while offering improved efficiency and accessibility.

LLM agents are an emerging form of AI systems where large language models (LLMs) serve as the central component, utilizing a diverse set of tools to complete user-assigned tasks. Despite their great potential, LLM agents pose significant security risks. When interacting with the external world, they may encounter malicious commands from attackers, leading to the execution of dangerous actions. A promising way to address this is by enforcing the principle of least privilege: allowing only essential actions for task completion while blocking unnecessary ones. However, achieving this is challenging, as it requires covering diverse agent scenarios while preserving both security and utility. We introduce Progent, the first privilege control mechanism for LLM agents. At its core is a domain-specific language for flexibly expressing privilege control policies applied during agent execution. These policies provide fine-grained constraints over tool calls, deciding when tool calls are permissible and specifying fallbacks if they are not. This enables agent developers and users to craft suitable policies for their specific use cases and enforce them deterministically to guarantee security. Thanks to its modular design, integrating Progent does not alter agent internals and requires only minimal changes to agent implementation, enhancing its practicality and potential for widespread adoption. To automate policy writing, we leverage LLMs to generate policies based on user queries, which are then updated dynamically for improved security and utility. Our extensive evaluation shows that it enables strong security while preserving high utility across three distinct scenarios or benchmarks: AgentDojo, ASB, and AgentPoison. Furthermore, we perform an in-depth analysis, showcasing the effectiveness of its core components and the resilience of its automated policy generation against adaptive attacks.

Model-free reinforcement learning algorithms have seen remarkable progress, but key challenges remain. Trust Region Policy Optimization (TRPO) is known for ensuring monotonic policy improvement through conservative updates within a trust region, backed by strong theoretical guarantees. However, its reliance on complex second-order optimization limits its practical efficiency. Proximal Policy Optimization (PPO) addresses this by simplifying TRPO's approach using ratio clipping, improving efficiency but sacrificing some theoretical robustness. This raises a natural question: Can we combine the strengths of both methods? In this paper, we introduce Simple Policy Optimization (SPO), a novel unconstrained first-order algorithm. By slightly modifying the policy loss used in PPO, SPO can achieve the best of both worlds. Our new objective improves upon ratio clipping, offering stronger theoretical properties and better constraining the probability ratio within the trust region. Empirical results demonstrate that SPO outperforms PPO with a simple implementation, particularly for training large, complex network architectures end-to-end.