Daily Papers

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

This paper revisits Ramon Llull's Ars combinatoria - a medieval framework for generating knowledge through symbolic recombination - as a conceptual foundation for building a modern Llull's thinking machine for research ideation. Our approach defines three compositional axes: Theme (e.g., efficiency, adaptivity), Domain (e.g., question answering, machine translation), and Method (e.g., adversarial training, linear attention). These elements represent high-level abstractions common in scientific work - motivations, problem settings, and technical approaches - and serve as building blocks for LLM-driven exploration. We mine elements from human experts or conference papers and show that prompting LLMs with curated combinations produces research ideas that are diverse, relevant, and grounded in current literature. This modern thinking machine offers a lightweight, interpretable tool for augmenting scientific creativity and suggests a path toward collaborative ideation between humans and AI.

Alpha mining, a critical component in quantitative investment, focuses on discovering predictive signals for future asset returns in increasingly complex financial markets. However, the pervasive issue of alpha decay, where factors lose their predictive power over time, poses a significant challenge for alpha mining. Traditional methods like genetic programming face rapid alpha decay from overfitting and complexity, while approaches driven by Large Language Models (LLMs), despite their promise, often rely too heavily on existing knowledge, creating homogeneous factors that worsen crowding and accelerate decay. To address this challenge, we propose AlphaAgent, an autonomous framework that effectively integrates LLM agents with ad hoc regularizations for mining decay-resistant alpha factors. AlphaAgent employs three key mechanisms: (i) originality enforcement through a similarity measure based on abstract syntax trees (ASTs) against existing alphas, (ii) hypothesis-factor alignment via LLM-evaluated semantic consistency between market hypotheses and generated factors, and (iii) complexity control via AST-based structural constraints, preventing over-engineered constructions that are prone to overfitting. These mechanisms collectively guide the alpha generation process to balance originality, financial rationale, and adaptability to evolving market conditions, mitigating the risk of alpha decay. Extensive evaluations show that AlphaAgent outperforms traditional and LLM-based methods in mitigating alpha decay across bull and bear markets, consistently delivering significant alpha in Chinese CSI 500 and US S&P 500 markets over the past four years. Notably, AlphaAgent showcases remarkable resistance to alpha decay, elevating the potential for yielding powerful factors.

Reinforcement Learning with Verifiable Rewards (RLVR) is a powerful paradigm for enhancing the reasoning ability of Large Language Models (LLMs). Yet current RLVR methods often explore poorly, leading to premature convergence and entropy collapse. To address this challenge, we introduce Curiosity-Driven Exploration (CDE), a framework that leverages the model's own intrinsic sense of curiosity to guide exploration. We formalize curiosity with signals from both the actor and the critic: for the actor, we use perplexity over its generated response, and for the critic, we use the variance of value estimates from a multi-head architecture. Both signals serve as an exploration bonus within the RLVR framework to guide the model. Our theoretical analysis shows that the actor-wise bonus inherently penalizes overconfident errors and promotes diversity among correct responses; moreover, we connect the critic-wise bonus to the well-established count-based exploration bonus in RL. Empirically, our method achieves an approximate +3 point improvement over standard RLVR using GRPO/PPO on AIME benchmarks. Further analysis identifies a calibration collapse mechanism within RLVR, shedding light on common LLM failure modes.

The paradigm of automated program generation is shifting from one-shot generation to inference-time search, where Large Language Models (LLMs) function as semantic mutation operators within evolutionary loops. While effective, these systems are currently governed by static schedules that fail to account for the non-stationary dynamics of the search process. This rigidity results in substantial computational waste, as resources are indiscriminately allocated to stagnating populations while promising frontiers remain under-exploited. We introduce AdaEvolve, a framework that reformulates LLM-driven evolution as a hierarchical adaptive optimization problem. AdaEvolve uses an "accumulated improvement signal" to unify decisions across three levels: Local Adaptation, which dynamically modulates the exploration intensity within a population of solution candidates; Global Adaptation, which routes the global resource budget via bandit-based scheduling across different solution candidate populations; and Meta-Guidance which generates novel solution tactics based on the previously generated solutions and their corresponding improvements when the progress stalls. We demonstrate that AdaEvolve consistently outperforms the open-sourced baselines across 185 different open-ended optimization problems including combinatorial, systems optimization and algorithm design problems.

Despite interdisciplinary research leading to larger and longer-term impact, most work remains confined to single-domain academic silos. Recent AI-based approaches to scientific discovery show promise for interdisciplinary research, but many prioritize rapidly designing experiments and solutions, bypassing the exploratory, collaborative reasoning processes that drive creative interdisciplinary breakthroughs. As a result, prior efforts largely prioritize automating scientific discovery rather than augmenting the reasoning processes that underlie scientific disruption. We present Idea-Catalyst, a novel framework that systematically identifies interdisciplinary insights to support creative reasoning in both humans and large language models. Starting from an abstract research goal, Idea-Catalyst is designed to assist the brainstorming stage, explicitly avoiding premature anchoring on specific solutions. The framework embodies key metacognitive features of interdisciplinary reasoning: (a) defining and assessing research goals, (b) awareness of a domain's opportunities and unresolved challenges, and (c) strategic exploration of interdisciplinary ideas based on impact potential. Concretely, Idea-Catalyst decomposes an abstract goal (e.g., improving human-AI collaboration) into core target-domain research questions that guide the analysis of progress and open challenges within that domain. These challenges are reformulated as domain-agnostic conceptual problems, enabling retrieval from external disciplines (e.g., Psychology, Sociology) that address analogous issues. By synthesizing and recontextualizing insights from these domains back into the target domain, Idea-Catalyst ranks source domains by their interdisciplinary potential. Empirically, this targeted integration improves average novelty by 21% and insightfulness by 16%, while remaining grounded in the original research problem.

Discovering effective predictive signals, or ``alphas,'' from financial data with high dimensionality and extremely low signal-to-noise ratio remains a difficult open problem. Despite progress in deep learning, genetic programming, and, more recently, large language model (LLM)--based factor generation, existing approaches still explore only a narrow region of the vast alpha search space. Neural models tend to produce opaque and fragile patterns, while symbolic or formula-based methods often yield redundant or economically ungrounded expressions that generalize poorly. Although different in form, these paradigms share a key limitation: none can conduct broad, structured, and human-like exploration that balances logical consistency with creative leaps. To address this gap, we introduce the Cognitive Alpha Mining Framework (CogAlpha), which combines code-level alpha representation with LLM-driven reasoning and evolutionary search. Treating LLMs as adaptive cognitive agents, our framework iteratively refines, mutates, and recombines alpha candidates through multi-stage prompts and financial feedback. This synergistic design enables deeper thinking, richer structural diversity, and economically interpretable alpha discovery, while greatly expanding the effective search space. Experiments on A-share equities demonstrate that CogAlpha consistently discovers alphas with superior predictive accuracy, robustness, and generalization over existing methods. Our results highlight the promise of aligning evolutionary optimization with LLM-based reasoning for automated and explainable alpha discovery. All source code will be released.

In this work, from a theoretical lens, we aim to understand why large language model (LLM) empowered agents are able to solve decision-making problems in the physical world. To this end, consider a hierarchical reinforcement learning (RL) model where the LLM Planner and the Actor perform high-level task planning and low-level execution, respectively. Under this model, the LLM Planner navigates a partially observable Markov decision process (POMDP) by iteratively generating language-based subgoals via prompting. Under proper assumptions on the pretraining data, we prove that the pretrained LLM Planner effectively performs Bayesian aggregated imitation learning (BAIL) through in-context learning. Additionally, we highlight the necessity for exploration beyond the subgoals derived from BAIL by proving that naively executing the subgoals returned by LLM leads to a linear regret. As a remedy, we introduce an ε-greedy exploration strategy to BAIL, which is proven to incur sublinear regret when the pretraining error is small. Finally, we extend our theoretical framework to include scenarios where the LLM Planner serves as a world model for inferring the transition model of the environment and to multi-agent settings, enabling coordination among multiple Actors.

Financial markets are noisy and non-stationary, making alpha mining highly sensitive to noise in backtesting results and sudden market regime shifts. While recent agentic frameworks improve alpha mining automation, they often lack controllable multi-round search and reliable reuse of validated experience. To address these challenges, we propose QuantaAlpha, an evolutionary alpha mining framework that treats each end-to-end mining run as a trajectory and improves factors through trajectory-level mutation and crossover operations. QuantaAlpha localizes suboptimal steps in each trajectory for targeted revision and recombines complementary high-reward segments to reuse effective patterns, enabling structured exploration and refinement across mining iterations. During factor generation, QuantaAlpha enforces semantic consistency across the hypothesis, factor expression, and executable code, while constraining the complexity and redundancy of the generated factor to mitigate crowding. Extensive experiments on the China Securities Index 300 (CSI 300) demonstrate consistent gains over strong baseline models and prior agentic systems. When utilizing GPT-5.2, QuantaAlpha achieves an Information Coefficient (IC) of 0.1501, with an Annualized Rate of Return (ARR) of 27.75% and a Maximum Drawdown (MDD) of 7.98%. Moreover, factors mined on CSI 300 transfer effectively to the China Securities Index 500 (CSI 500) and the Standard & Poor's 500 Index (S&P 500), delivering 160% and 137% cumulative excess return over four years, respectively, which indicates strong robustness of QuantaAlpha under market distribution shifts.

Although robot-to-robot (R2R) communication improves indoor scene understanding beyond what a single robot can achieve, R2R alone cannot overcome partial observability without substantial exploration overhead or scaling team size. In contrast, many indoor environments already include low-cost Internet of Things (IoT) sensors (e.g., cameras) that provide persistent, building-wide context beyond onboard perception. We therefore introduce IndoorR2X, the first benchmark and simulation framework for Large Language Model (LLM)-driven multi-robot task planning with Robot-to-Everything (R2X) perception and communication in indoor environments. IndoorR2X integrates observations from mobile robots and static IoT devices to construct a global semantic state that supports scalable scene understanding, reduces redundant exploration, and enables high-level coordination through LLM-based planning. IndoorR2X provides configurable simulation environments, sensor layouts, robot teams, and task suites to systematically evaluate high-level semantic coordination strategies. Extensive experiments across diverse settings demonstrate that IoT-augmented world modeling improves multi-robot efficiency and reliability, and we highlight key insights and failure modes for advancing LLM-based collaboration between robot teams and indoor IoT sensors. See our project website: https://fandulu.github.io/IndoorR2X_project_page/.

Alpha factor mining is pivotal in quantitative investment for identifying predictive signals from complex financial data. While traditional formulaic alpha mining relies on human expertise, contemporary automated methods, such as those based on genetic programming or reinforcement learning, often struggle with search inefficiency or yield alpha factors that are difficult to interpret. This paper introduces a novel framework that integrates Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS) to overcome these limitations. Our framework leverages the LLM's instruction-following and reasoning capability to iteratively generate and refine symbolic alpha formulas within an MCTS-driven exploration. A key innovation is the guidance of MCTS exploration by rich, quantitative feedback from financial backtesting of each candidate factor, enabling efficient navigation of the vast search space. Furthermore, a frequent subtree avoidance mechanism is introduced to enhance search diversity and prevent formulaic homogenization, further improving performance. Experimental results on real-world stock market data demonstrate that our LLM-based framework outperforms existing methods by mining alphas with superior predictive accuracy and trading performance. The resulting formulas are also more amenable to human interpretation, establishing a more effective and efficient paradigm for formulaic alpha mining.

The rapid evolution of agentic AI marks a new phase in artificial intelligence, where Large Language Models (LLMs) no longer merely respond but act, reason, and adapt. This survey traces the paradigm shift in building agentic AI: from Pipeline-based systems, where planning, tool use, and memory are orchestrated by external logic, to the emerging Model-native paradigm, where these capabilities are internalized within the model's parameters. We first position Reinforcement Learning (RL) as the algorithmic engine enabling this paradigm shift. By reframing learning from imitating static data to outcome-driven exploration, RL underpins a unified solution of LLM + RL + Task across language, vision and embodied domains. Building on this, the survey systematically reviews how each capability -- Planning, Tool use, and Memory -- has evolved from externally scripted modules to end-to-end learned behaviors. Furthermore, it examines how this paradigm shift has reshaped major agent applications, specifically the Deep Research agent emphasizing long-horizon reasoning and the GUI agent emphasizing embodied interaction. We conclude by discussing the continued internalization of agentic capabilities like Multi-agent collaboration and Reflection, alongside the evolving roles of the system and model layers in future agentic AI. Together, these developments outline a coherent trajectory toward model-native agentic AI as an integrated learning and interaction framework, marking the transition from constructing systems that apply intelligence to developing models that grow intelligence through experience.

We automate deep step-by step reasoning in an LLM dialog thread by recursively exploring alternatives (OR-nodes) and expanding details (AND-nodes) up to a given depth. Starting from a single succinct task-specific initiator we steer the automated dialog thread to stay focussed on the task by synthesizing a prompt that summarizes the depth-first steps taken so far. Our algorithm is derived from a simple recursive descent implementation of a Horn Clause interpreter, except that we accommodate our logic engine to fit the natural language reasoning patterns LLMs have been trained on. Semantic similarity to ground-truth facts or oracle advice from another LLM instance is used to restrict the search space and validate the traces of justification steps returned as answers. At the end, the unique minimal model of a generated Horn Clause program collects the results of the reasoning process. As applications, we sketch implementations of consequence predictions, causal explanations, recommendation systems and topic-focussed exploration of scientific literature.

Recent advancements in large language model (LLM) agents have significantly accelerated scientific discovery automation, yet concurrently raised critical ethical and safety concerns. To systematically address these challenges, we introduce SafeScientist, an innovative AI scientist framework explicitly designed to enhance safety and ethical responsibility in AI-driven scientific exploration. SafeScientist proactively refuses ethically inappropriate or high-risk tasks and rigorously emphasizes safety throughout the research process. To achieve comprehensive safety oversight, we integrate multiple defensive mechanisms, including prompt monitoring, agent-collaboration monitoring, tool-use monitoring, and an ethical reviewer component. Complementing SafeScientist, we propose SciSafetyBench, a novel benchmark specifically designed to evaluate AI safety in scientific contexts, comprising 240 high-risk scientific tasks across 6 domains, alongside 30 specially designed scientific tools and 120 tool-related risk tasks. Extensive experiments demonstrate that SafeScientist significantly improves safety performance by 35\% compared to traditional AI scientist frameworks, without compromising scientific output quality. Additionally, we rigorously validate the robustness of our safety pipeline against diverse adversarial attack methods, further confirming the effectiveness of our integrated approach. The code and data will be available at https://github.com/ulab-uiuc/SafeScientist. red{Warning: this paper contains example data that may be offensive or harmful.}

While Large Language Models (LLMs) have empowered AI research agents to perform isolated scientific tasks, automating complex, real-world workflows, such as LLM training, remains a significant challenge. In this paper, we introduce TREX, a multi-agent system that automates the entire LLM training life-cycle. By orchestrating collaboration between two core modules-the Researcher and the Executor-the system seamlessly performs requirement analysis, open-domain literature and data research, formulation of training strategies, preparation of data recipes, and model training and evaluation. The multi-round experimental process is modeled as a search tree, enabling the system to efficiently plan exploration paths, reuse historical results, and distill high-level insights from iterative trials. To evaluate the capability of automated LLM training, we construct FT-Bench, a benchmark comprising 10 tasks derived from real-world scenarios, ranging from optimizing fundamental model capabilities to enhancing performance on domain-specific tasks. Experimental results demonstrate that the TREX agent consistently optimizes model performance on target tasks.

Reinforcement learning has become essential for strengthening the reasoning abilities of large language models, yet current exploration mechanisms remain fundamentally misaligned with how these models actually learn. Entropy bonuses and external semantic comparators encourage surface level variation but offer no guarantee that sampled trajectories differ in the update directions that shape optimization. We propose G2RL, a gradient guided reinforcement learning framework in which exploration is driven not by external heuristics but by the model own first order update geometry. For each response, G2RL constructs a sequence level feature from the model final layer sensitivity, obtainable at negligible cost from a standard forward pass, and measures how each trajectory would reshape the policy by comparing these features within a sampled group. Trajectories that introduce novel gradient directions receive a bounded multiplicative reward scaler, while redundant or off manifold updates are deemphasized, yielding a self referential exploration signal that is naturally aligned with PPO style stability and KL control. Across math and general reasoning benchmarks (MATH500, AMC, AIME24, AIME25, GPQA, MMLUpro) on Qwen3 base 1.7B and 4B models, G2RL consistently improves pass@1, maj@16, and pass@k over entropy based GRPO and external embedding methods. Analyzing the induced geometry, we find that G2RL expands exploration into substantially more orthogonal and often opposing gradient directions while maintaining semantic coherence, revealing that a policy own update space provides a far more faithful and effective basis for guiding exploration in large language model reinforcement learning.

The use of LLMs for code generation has naturally extended to code testing and evaluation. As codebases grow in size and complexity, so does the need for automated test generation. Current approaches for LLM-based test generation rely on strategies that maximize immediate coverage gain, a greedy approach that plateaus on code where reaching deep branches requires setup steps that individually yield zero new coverage. Drawing on principles of Bayesian exploration, we treat the program's branch structure as an unknown environment, and an evolving coverage map as a proxy probabilistic posterior representing what the LLM has discovered so far. Our method, CovQValue, feeds the coverage map back to the LLM, generates diverse candidate plans in parallel, and selects the most informative plan by LLM-estimated Q-values, seeking actions that balance immediate branch discovery with future reachability. Our method outperforms greedy selection on TestGenEval Lite, achieving 51-77% higher branch coverage across three popular LLMs and winning on 77-84% of targets. In addition, we build a benchmark for iterative test generation, RepoExploreBench, where they achieve 40-74%. These results show the potential of curiosity-driven planning methods for LLM-based exploration, enabling more effective discovery of program behavior through sequential interaction

Large Language Models (LLMs) have revolutionized natural language processing but remain vulnerable to jailbreak attacks, especially multi-turn jailbreaks that distribute malicious intent across benign exchanges and bypass alignment mechanisms. Existing approaches often explore the adversarial space poorly, rely on hand-crafted heuristics, or lack systematic query refinement. We present NEXUS (Network Exploration for eXploiting Unsafe Sequences), a modular framework for constructing, refining, and executing optimized multi-turn attacks. NEXUS comprises: (1) ThoughtNet, which hierarchically expands a harmful intent into a structured semantic network of topics, entities, and query chains; (2) a feedback-driven Simulator that iteratively refines and prunes these chains through attacker-victim-judge LLM collaboration using harmfulness and semantic-similarity benchmarks; and (3) a Network Traverser that adaptively navigates the refined query space for real-time attacks. This pipeline uncovers stealthy, high-success adversarial paths across LLMs. On several closed-source and open-source LLMs, NEXUS increases attack success rate by 2.1% to 19.4% over prior methods. Code: https://github.com/inspire-lab/NEXUS

Large language models (LLMs) have achieved impressive performance on code generation. Although prior studies enhanced LLMs with prompting techniques and code refinement, they still struggle with complex programming problems due to rigid solution plans. In this paper, we draw on pair programming practices to propose PairCoder, a novel LLM-based framework for code generation. PairCoder incorporates two collaborative LLM agents, namely a Navigator agent for high-level planning and a Driver agent for specific implementation. The Navigator is responsible for proposing promising solution plans, selecting the current optimal plan, and directing the next iteration round based on execution feedback. The Driver follows the guidance of Navigator to undertake initial code generation, code testing, and refinement. This interleaved and iterative workflow involves multi-plan exploration and feedback-based refinement, which mimics the collaboration of pair programmers. We evaluate PairCoder with both open-source and closed-source LLMs on various code generation benchmarks. Extensive experimental results demonstrate the superior accuracy of PairCoder, achieving relative pass@1 improvements of 12.00%-162.43% compared to prompting LLMs directly.

Large language models (LLMs) have achieved remarkable success across various domains, driving significant technological advancements and innovations. Despite the rapid growth in model scale and capability, systematic, data-driven research on how structural configurations affect performance remains scarce. To address this gap, we present a large-scale dataset encompassing diverse open-source LLM structures and their performance across multiple benchmarks. Leveraging this dataset, we conduct a systematic, data mining-driven analysis to validate and quantify the relationship between structural configurations and performance. Our study begins with a review of the historical development of LLMs and an exploration of potential future trends. We then analyze how various structural choices impact performance across benchmarks and further corroborate our findings using mechanistic interpretability techniques. By providing data-driven insights into LLM optimization, our work aims to guide the targeted development and application of future models. We will release our dataset at https://huggingface.co/datasets/DX0369/LLM-Structure-Performance-Dataset

The rapid growth of deep learning has driven exponential increases in model parameters and computational demands. NVIDIA GPUs and their CUDA-based software ecosystem provide robust support for parallel computing, significantly alleviating computational bottlenecks. Meanwhile, due to the cultivation of user programming habits and the high performance of GPUs, the CUDA ecosystem has established a dominant position in the field of parallel software. This dominance requires other hardware platforms to support CUDA-based software with performance portability. However, translating CUDA code to other platforms poses significant challenges due to differences in parallel programming paradigms and hardware architectures. Existing approaches rely on language extensions, domain-specific languages (DSLs), or compilers but face limitations in workload coverage and generalizability. Moreover, these methods often incur substantial development costs. Recently, LLMs have demonstrated extraordinary potential in various vertical domains, especially in code-related tasks. However, the performance of existing LLMs in CUDA transpilation, particularly for high-performance code, remains suboptimal. To address these challenges, we propose a novel framework for generating high-performance CUDA and corresponding platform code pairs, leveraging AI compiler and automatic optimization technology. We further enhance the framework with a graph-based data augmentation method and introduce HPCTransEval, a benchmark for evaluating LLM performance on CUDA transpilation. We conduct experiments using CUDA-to-CPU transpilation as a case study on leading LLMs. The speedup ratio of the CPU operators has an average improvemnet of 43.8\%, highlighting the potential of LLMs to address compatibility challenges within the CUDA ecosystem. Our code is available at https://github.com/PJLAB-CHIP/HPCTransCompile.

Pre-trained large language model (LLM) is under exploration to perform NLP tasks that may require logical reasoning. Logic-driven data augmentation for representation learning has been shown to improve the performance of tasks requiring logical reasoning, but most of these data rely on designed templates and therefore lack generalization. In this regard, we propose an AMR-based logical equivalence-driven data augmentation method (AMR-LE) for generating logically equivalent data. Specifically, we first parse a text into the form of an AMR graph, next apply four logical equivalence laws (contraposition, double negation, commutative and implication laws) on the AMR graph to construct a logically equivalent/inequivalent AMR graph, and then convert it into a logically equivalent/inequivalent sentence. To help the model to better learn these logical equivalence laws, we propose a logical equivalence-driven contrastive learning training paradigm, which aims to distinguish the difference between logical equivalence and inequivalence. Our AMR-LE (Ensemble) achieves #2 on the ReClor leaderboard https://eval.ai/web/challenges/challenge-page/503/leaderboard/1347 . Our model shows better performance on seven downstream tasks, including ReClor, LogiQA, MNLI, MRPC, RTE, QNLI, and QQP. The source code and dataset are public at https://github.com/Strong-AI-Lab/Logical-Equivalence-driven-AMR-Data-Augmentation-for-Representation-Learning .

Reinforcement learning algorithms such as GRPO have driven recent advances in large language model (LLM) reasoning. While scaling the number of rollouts stabilizes training, existing approaches suffer from limited exploration on challenging prompts and leave informative feedback signals underexploited, due to context-independent rollout allocation across prompts (e.g., generating 16 rollouts per prompt) and relying heavily on sparse rewards. This paper presents XRPO(eXplore - eXploit GRPO), a unified framework that recasts policy optimization through the principled lens of rollout exploration-exploitation. To enhance exploration, XRPO introduces a mathematically grounded rollout allocator that adaptively prioritizes prompts with higher potential for uncertainty reduction. It further addresses stagnation on zero-reward prompts through an in-context seeding strategy that injects curated exemplars, steering the model into more difficult reasoning trajectories. To strengthen exploitation, XRPO develops a group-relative, novelty-aware advantage sharpening mechanism that leverages sequence likelihoods to amplify low-probability yet correct responses, thereby extending the policy's reach beyond sparse rewards. Experiments across diverse math and coding benchmarks on both reasoning and non-reasoning models demonstrate that XRPO outperforms existing advances (e.g., GRPO and GSPO) up to 4% pass@1 and 6% cons@32, while accelerating training convergence by up to 2.7X.

Neural Architecture Search (NAS) aims to automatically discover high-performing deep neural network (DNN) architectures. However, conventional algorithm-driven NAS relies on carefully hand-crafted search spaces to ensure executability, which restricts open-ended exploration. Recent coding-based agentic approaches using large language models (LLMs) reduce manual design, but current LLMs struggle to reliably generate complex, valid architectures, and their proposals are often biased toward a narrow set of patterns observed in their training data. To bridge reliable algorithmic search with powerful LLM assistance, we propose LLMasTool, a hierarchical tree-based NAS framework for stable and open-ended model evolution. Our method automatically extracts reusable modules from arbitrary source code and represents full architectures as hierarchical trees, enabling evolution through reliable tree transformations rather than code generation. At each evolution step, coarse-level planning is governed by a diversity-guided algorithm that leverages Bayesian modeling to improve exploration efficiency, while the LLM resolves the remaining degrees of freedom to ensure a meaningful evolutionary trajectory and an executable generated architecture. With this formulation, instead of fully agentic LLM approaches, our method explores diverse directions beyond the inherent biases in the LLM. Our method improves over existing NAS methods by 0.69, 1.83, and 2.68 points on CIFAR-10, CIFAR-100, and ImageNet16-120, demonstrating its effectiveness.

Recent advancements in large language models (LLMs) have been driven by their emergent reasoning capabilities, particularly through long chain-of-thought (CoT) prompting, which enables thorough exploration and deliberation. Despite these advances, long-CoT LLMs often exhibit suboptimal reasoning behaviors, such as overthinking and excessively protracted reasoning chains, which can impair performance. In this paper, we analyze reasoning processes through an optimization lens, framing CoT as a gradient descent procedure where each reasoning step constitutes an update toward problem resolution. Building on this perspective, we introduce RePro (Rectifying Process-level Reward), a novel approach to refine LLM reasoning during post-training. RePro defines a surrogate objective function to assess the optimization process underlying CoT, utilizing a dual scoring mechanism to quantify its intensity and stability. These scores are aggregated into a composite process-level reward, seamlessly integrated into reinforcement learning with verifiable rewards (RLVR) pipelines to optimize LLMs. Extensive experiments across multiple reinforcement learning algorithms and diverse LLMs, evaluated on benchmarks spanning mathematics, science, and coding, demonstrate that RePro consistently enhances reasoning performance and mitigates suboptimal reasoning behaviors.

Multi-agent systems (MAS) are increasingly used for open-ended idea generation, driven by the expectation that collective interaction will broaden the exploration diversity. However, when and why such collaboration truly expands the solution space remains unclear. We present a systematic empirical study of diversity in MAS-based ideation across three bottom-up levels: model intelligence, agent cognition, and system dynamics. At the model level, we identify a compute efficiency paradox, where stronger, highly aligned models yield diminishing marginal diversity despite higher per-sample quality. At the cognition level, authority-driven dynamics suppress semantic diversity compared to junior-dominated groups. At the system level, group-size scaling yields diminishing returns and dense communication topologies accelerate premature convergence. We characterize these outcomes as collective failures emerging from structural coupling, a process where interaction inadvertently contracts agent exploration and triggers diversity collapse. Our analysis shows that this collapse arises primarily from the interaction structure rather than inherent model insufficiency, highlighting the importance of preserving independence and disagreement when designing MAS for creative tasks. Our code is available at https://github.com/Xtra-Computing/MAS_Diversity.

Test-time scaling has been widely adopted to enhance the capabilities of Large Language Model (LLM) agents in software engineering (SWE) tasks. However, the standard approach of repeatedly sampling trajectories from scratch is computationally expensive. While recent methods have attempted to mitigate costs using specialized value agents, they can suffer from model miscalibration and fail to generalize to modern agents that synthesize custom bash scripts as tools. In this paper, we introduce SWE-Replay, the first efficient and generalizable test-time scaling technique for modern agents without reliance on potentially noisy value estimates. SWE-Replay optimizes the scaling process by recycling trajectories from prior trials, dynamically choosing to either explore from scratch or exploit archived experience by branching at critical intermediate steps. This selection of intermediate steps is driven by the potential and reasoning significance of repository exploration, rather than external LLM-based quality estimates. Our evaluation shows that, on SWE-Bench Verified, SWE-Replay consistently outperforms naive scaling, reducing costs by up to 17.4% while maintaining or even improving performance by up to 3.8%. Further evaluation on SWE-Bench Pro and Multilingual validates the generalizability of SWE-Replay, establishing it as a robust foundation for efficient test-time scaling of software engineering agents.

Large Language Models have emerged many intellectual capacities. While numerous benchmarks assess their intelligence, limited attention has been given to their ability to explore, an essential capacity for discovering new information and adapting to novel environments in both natural and artificial systems. The extent to which LLMs can effectively explore, particularly in open-ended tasks, remains unclear. This study investigates whether LLMs can surpass humans in exploration during an open-ended task, using Little Alchemy 2 as a paradigm, where agents combine elements to discover new ones. Results show most LLMs underperform compared to humans, except for the o1 model, with those traditional LLMs relying primarily on uncertainty driven strategies, unlike humans who balance uncertainty and empowerment. Representational analysis of the models with Sparse Autoencoders revealed that uncertainty and choices are represented at earlier transformer blocks, while empowerment values are processed later, causing LLMs to think too fast and make premature decisions, hindering effective exploration. These findings shed light on the limitations of LLM exploration and suggest directions for improving their adaptability.

Despite their success in many domains, large language models (LLMs) remain under-studied in scenarios requiring optimal decision-making under uncertainty. This is crucial as many real-world applications, ranging from personalized recommendations to healthcare interventions, demand that LLMs not only predict but also actively learn to make optimal decisions through exploration. In this work, we measure LLMs' (in)ability to make optimal decisions in bandits, a state-less reinforcement learning setting relevant to many applications. We develop a comprehensive suite of environments, including both context-free and contextual bandits with varying task difficulties, to benchmark LLMs' performance. Motivated by the existence of optimal exploration algorithms, we propose efficient ways to integrate this algorithmic knowledge into LLMs: by providing explicit algorithm-guided support during inference; and through algorithm distillation via in-context demonstrations and fine-tuning, using synthetic data generated from these algorithms. Impressively, these techniques allow us to achieve superior exploration performance with smaller models, surpassing larger models on various tasks. We conducted an extensive ablation study to shed light on various factors, such as task difficulty and data representation, that influence the efficiency of LLM exploration. Additionally, we conduct a rigorous analysis of the LLM's exploration efficiency using the concept of regret, linking its ability to explore to the model size and underlying algorithm.

Recent advancements in agentic test-time scaling allow models to gather environmental feedback before committing to final actions. A key limitation of existing methods is that they typically employ undifferentiated exploration strategies, lacking the ability to adaptively distinguish when exploration is truly required. In this paper, we propose an exploration-aware reinforcement learning framework that enables LLM agents to adaptively explore only when uncertainty is high. Our method introduces a fine-grained reward function via variational inference that explicitly evaluates exploratory actions by estimating their potential to improve future decision-making, together with an exploration-aware grouping mechanism that separates exploratory actions from task-completion actions during optimization. By targeting informational gaps, this design allows agents to explore selectively and transition to execution as soon as the task context is clear. Empirically, we demonstrate that our approach achieves consistent improvements across a range of challenging text-based and GUI-based agent benchmarks. Code is available at https://github.com/HansenHua/EAPO-ICML26 and models are available at https://huggingface.co/hansenhua/EAPO-ICML26.

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.

Reinforcement learning (RL) is a promising approach for robotic manipulation, but it can suffer from low sample efficiency and requires extensive exploration of large state-action spaces. Recent methods leverage the commonsense knowledge and reasoning abilities of large language models (LLMs) to guide exploration toward more meaningful states. However, LLMs can produce plans that are semantically plausible yet physically infeasible, yielding unreliable behavior. We introduce LLM-TALE, a framework that uses LLMs' planning to directly steer RL exploration. LLM-TALE integrates planning at both the task level and the affordance level, improving learning efficiency by directing agents toward semantically meaningful actions. Unlike prior approaches that assume optimal LLM-generated plans or rewards, LLM-TALE corrects suboptimality online and explores multimodal affordance-level plans without human supervision. We evaluate LLM-TALE on pick-and-place tasks in standard RL benchmarks, observing improvements in both sample efficiency and success rates over strong baselines. Real-robot experiments indicate promising zero-shot sim-to-real transfer. Code and supplementary material are available at https://llm-tale.github.io.

Sparse reward environments in reinforcement learning (RL) pose significant challenges for exploration, often leading to inefficient or incomplete learning processes. To tackle this issue, this work proposes a teacher-student RL framework that leverages Large Language Models (LLMs) as "teachers" to guide the agent's learning process by decomposing complex tasks into subgoals. Due to their inherent capability to understand RL environments based on a textual description of structure and purpose, LLMs can provide subgoals to accomplish the task defined for the environment in a similar fashion to how a human would do. In doing so, three types of subgoals are proposed: positional targets relative to the agent, object representations, and language-based instructions generated directly by the LLM. More importantly, we show that it is possible to query the LLM only during the training phase, enabling agents to operate within the environment without any LLM intervention. We assess the performance of this proposed framework by evaluating three state-of-the-art open-source LLMs (Llama, DeepSeek, Qwen) eliciting subgoals across various procedurally generated environment of the MiniGrid benchmark. Experimental results demonstrate that this curriculum-based approach accelerates learning and enhances exploration in complex tasks, achieving up to 30 to 200 times faster convergence in training steps compared to recent baselines designed for sparse reward environments.

Masked diffusion large language models (dLLMs) are emerging as promising alternatives to autoregressive LLMs, offering competitive performance while supporting unique generation capabilities such as inpainting. We explore how inpainting can inform RL algorithm design for dLLMs. Aligning LLMs with reinforcement learning faces an exploration challenge: sparse reward signals and sample waste when models fail to discover correct solutions. While this inefficiency affects LLMs broadly, dLLMs offer a distinctive opportunity--their inpainting ability can guide exploration. We introduce IGPO (Inpainting Guided Policy Optimization), an RL framework that strategically inserts partial ground-truth reasoning traces during online sampling. Unlike providing full solutions, inpainting steers exploration toward promising trajectory spaces while preserving self-generated reasoning, bridging supervised fine-tuning and reinforcement learning. We apply IGPO to group-based optimization methods such as GRPO, where exploration failures cause zero advantages and gradients. IGPO restores meaningful gradients while improving sample efficiency. We also propose supervised fine-tuning on synthetically rewritten concise traces that better align with dLLM generation patterns. With additional techniques including entropy-based filtering, our training recipe yields substantial gains across three mathematical benchmarks--GSM8K, Math500, and AMC--achieving new state-of-the-art results for full-attention masked dLLMs.

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.

Recently, various studies have leveraged Large Language Models (LLMs) to help decision-making and planning in environments, and try to align the LLMs' knowledge with the world conditions. Nonetheless, the capacity of LLMs to continuously acquire environmental knowledge and adapt in an open world remains uncertain. In this paper, we propose an approach to spur LLMs to explore the open world, gather experiences, and learn to improve their task-solving capabilities. In this approach, a multi-round feedback-revision mechanism is utilized to encourage LLMs to actively select appropriate revision actions guided by feedback information from the environment. This facilitates exploration and enhances the model's performance. Besides, we integrate sub-task relabeling to assist LLMs in maintaining consistency in sub-task planning and help the model learn the combinatorial nature between tasks, enabling it to complete a wider range of tasks through training based on the acquired exploration experiences. By evaluation in Minecraft, an open-ended sandbox world, we demonstrate that our approach LLaMA-Rider enhances the efficiency of the LLM in exploring the environment, and effectively improves the LLM's ability to accomplish more tasks through fine-tuning with merely 1.3k instances of collected data, showing minimal training costs compared to the baseline using reinforcement learning.

The ability to achieve long-term goals is a key challenge in the current development of large language models (LLMs). To address this, pre-trained LLMs can be fine-tuned with reinforcement learning (RL) to explore solutions that optimize a given goal. However, exploration with LLMs is difficult, as a balance has to be struck between discovering new solutions and staying close enough to the pre-trained model, so as not to degrade basic capabilities. This is typically controlled with a Kullback-Leibler (KL) penalty. In this paper, we investigate the exploration dynamics of a small language model on a simple arithmetic task. We show how varying degrees of pre-training influence exploration and demonstrate the importance of "critical tokens" which have a dramatic impact on the final outcome. Consequently, we introduce a simple modification to the KL penalty that favors exploration on critical tokens, increasing the efficiency of the RL fine-tuning stage.

Language Model (LM) agents are increasingly used in complex open-ended decision-making tasks, from AI coding to physical AI. A core requirement in these settings is the ability to both explore the problem space and exploit acquired knowledge effectively. However, systematically distinguishing and quantifying exploration and exploitation from observed actions without access to the agent's internal policy remains challenging. To address this, we design controllable environments inspired by practical embodied AI scenarios. Each environment consists of a partially observable 2D grid map and an unknown task Directed Acyclic Graph (DAG). The map generation can be programmatically adjusted to emphasize exploration or exploitation difficulty. To enable policy-agnostic evaluation, we design a metric to quantify exploration and exploitation errors from agent's actions. We evaluate a variety of frontier LM agents and find that even state-of-the-art models struggle on our task, with different models exhibiting distinct failure modes. We further observe that reasoning models solve the task more effectively and show both exploration and exploitation can be significantly improved through minimal harness engineering. We release our code https://github.com/jjj-madison/measurable-explore-exploit{here}.

In image-based robot manipulation tasks with large observation and action spaces, reinforcement learning struggles with low sample efficiency, slow training speed, and uncertain convergence. As an alternative, large pre-trained foundation models have shown promise in robotic manipulation, particularly in zero-shot and few-shot applications. However, using these models directly is unreliable due to limited reasoning capabilities and challenges in understanding physical and spatial contexts. This paper introduces ExploRLLM, a novel approach that leverages the inductive bias of foundation models (e.g. Large Language Models) to guide exploration in reinforcement learning. We also exploit these foundation models to reformulate the action and observation spaces to enhance the training efficiency in reinforcement learning. Our experiments demonstrate that guided exploration enables much quicker convergence than training without it. Additionally, we validate that ExploRLLM outperforms vanilla foundation model baselines and that the policy trained in simulation can be applied in real-world settings without additional training.

Reinforcement learning algorithms typically struggle in the absence of a dense, well-shaped reward function. Intrinsically motivated exploration methods address this limitation by rewarding agents for visiting novel states or transitions, but these methods offer limited benefits in large environments where most discovered novelty is irrelevant for downstream tasks. We describe a method that uses background knowledge from text corpora to shape exploration. This method, called ELLM (Exploring with LLMs) rewards an agent for achieving goals suggested by a language model prompted with a description of the agent's current state. By leveraging large-scale language model pretraining, ELLM guides agents toward human-meaningful and plausibly useful behaviors without requiring a human in the loop. We evaluate ELLM in the Crafter game environment and the Housekeep robotic simulator, showing that ELLM-trained agents have better coverage of common-sense behaviors during pretraining and usually match or improve performance on a range of downstream tasks.

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online shopping, scientific reasoning, and mathematical problem-solving. Unlike pure text data, collecting large-scale decision-making data is challenging. Moreover, many powerful LLMs are only accessible through APIs, which hinders their fine-tuning for agent tasks due to cost and complexity. To address LLM agents' limitations, we propose a framework that can automatically learn a reward model from the environment without human annotations. This model can be used to evaluate the action trajectories of LLM agents and provide heuristics for task planning. Specifically, our approach involves employing one LLM-based agent to navigate an environment randomly, generating diverse action trajectories. Subsequently, a separate LLM is leveraged to assign a task intent and synthesize a negative response alongside the correct response for each trajectory. These triplets (task intent, positive response, and negative response) are then utilized as training data to optimize a reward model capable of scoring action trajectories. The effectiveness and generalizability of our framework are demonstrated through evaluations conducted on different agent benchmarks. In conclusion, our proposed framework represents a significant advancement in enhancing LLM agents' decision-making capabilities. By automating the learning of reward models, we overcome the challenges of data scarcity and API limitations, potentially revolutionizing the application of LLMs in complex and interactive environments. This research paves the way for more sophisticated AI agents capable of tackling a wide range of real-world problems requiring multi-step decision-making.

LLM-based agents often operate in a greedy, step-by-step manner, selecting actions solely based on the current observation without considering long-term consequences or alternative paths. This lack of foresight is particularly problematic in web environments, which are only partially observable-limited to browser-visible content (e.g., DOM and UI elements)-where a single misstep often requires complex and brittle navigation to undo. Without an explicit backtracking mechanism, agents struggle to correct errors or systematically explore alternative paths. Tree-search methods provide a principled framework for such structured exploration, but existing approaches lack mechanisms for safe backtracking, making them prone to unintended side effects. They also assume that all actions are reversible, ignoring the presence of irreversible actions-limitations that reduce their effectiveness in realistic web tasks. To address these challenges, we introduce WebOperator, a tree-search framework that enables reliable backtracking and strategic exploration. Our method incorporates a best-first search strategy that ranks actions by both reward estimates and safety considerations, along with a robust backtracking mechanism that verifies the feasibility of previously visited paths before replaying them, preventing unintended side effects. To further guide exploration, WebOperator generates action candidates from multiple, varied reasoning contexts to ensure diverse and robust exploration, and subsequently curates a high-quality action set by filtering out invalid actions pre-execution and merging semantically equivalent ones. Experimental results on WebArena and WebVoyager demonstrate the effectiveness of WebOperator. On WebArena, WebOperator achieves a state-of-the-art 54.6% success rate with gpt-4o, underscoring the critical advantage of integrating strategic foresight with safe execution.

Large language models (LLMs) have been successfully adapted for interactive decision-making tasks like web navigation. While achieving decent performance, previous methods implicitly assume a forward-only execution mode for the model, where they only provide oracle trajectories as in-context examples to teach the model how to reason in the interactive environment. Consequently, the model could not handle more challenging scenarios not covered in the in-context examples, e.g., mistakes, leading to sub-optimal performance. To address this issue, we propose to model the interactive task as state space exploration, where the LLM agent transitions among a pre-defined set of states by performing actions to complete the task. This formulation enables flexible back-tracking, allowing the model to easily recover from errors. We evaluate our proposed LLM Agent with State-Space ExploRation (LASER) on the WebShop task. Experimental results show that our LASER agent significantly outperforms previous methods and closes the gap with human performance on the web navigation task.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

Large Language Models (LLMs) have become integral components in various autonomous agent systems. In this study, we present an exploration-based trajectory optimization approach, referred to as ETO. This learning method is designed to enhance the performance of open LLM agents. Contrary to previous studies that exclusively train on successful expert trajectories, our method allows agents to learn from their exploration failures. This leads to improved performance through an iterative optimization framework. During the exploration phase, the agent interacts with the environment while completing given tasks, gathering failure trajectories to create contrastive trajectory pairs. In the subsequent training phase, the agent utilizes these trajectory preference pairs to update its policy using contrastive learning methods like DPO. This iterative cycle of exploration and training fosters continued improvement in the agents. Our experiments on three complex tasks demonstrate that ETO consistently surpasses baseline performance by a large margin. Furthermore, an examination of task-solving efficiency and potential in scenarios lacking expert trajectory underscores the effectiveness of our approach.

Real-world sequential decision making is characterized by sparse rewards and large decision spaces, posing significant difficulty for experiential learning systems like tabula rasa reinforcement learning (RL) agents. Large Language Models (LLMs), with a wealth of world knowledge, can help RL agents learn quickly and adapt to distribution shifts. In this work, we introduce Language Guided Exploration (LGE) framework, which uses a pre-trained language model (called GUIDE ) to provide decision-level guidance to an RL agent (called EXPLORER). We observe that on ScienceWorld (Wang et al.,2022), a challenging text environment, LGE outperforms vanilla RL agents significantly and also outperforms other sophisticated methods like Behaviour Cloning and Text Decision Transformer.

The success of Large Language Models (LLMs) has sparked interest in various agentic applications. A key hypothesis is that LLMs, leveraging common sense and Chain-of-Thought (CoT) reasoning, can effectively explore and efficiently solve complex domains. However, LLM agents have been found to suffer from sub-optimal exploration and the knowing-doing gap, the inability to effectively act on knowledge present in the model. In this work, we systematically study why LLMs perform sub-optimally in decision-making scenarios. In particular, we closely examine three prevalent failure modes: greediness, frequency bias, and the knowing-doing gap. We propose mitigation of these shortcomings by fine-tuning via Reinforcement Learning (RL) on self-generated CoT rationales. Our experiments across multi-armed bandits, contextual bandits, and Tic-tac-toe, demonstrate that RL fine-tuning enhances the decision-making abilities of LLMs by increasing exploration and narrowing the knowing-doing gap. Finally, we study both classic exploration mechanisms, such as epsilon-greedy, and LLM-specific approaches, such as self-correction and self-consistency, to enable more effective fine-tuning of LLMs for decision-making.

Existing Large Reasoning Models (LRMs) have shown the potential of reinforcement learning (RL) to enhance the complex reasoning capabilities of Large Language Models~(LLMs). While they achieve remarkable performance on challenging tasks such as mathematics and coding, they often rely on their internal knowledge to solve problems, which can be inadequate for time-sensitive or knowledge-intensive questions, leading to inaccuracies and hallucinations. To address this, we propose R1-Searcher, a novel two-stage outcome-based RL approach designed to enhance the search capabilities of LLMs. This method allows LLMs to autonomously invoke external search systems to access additional knowledge during the reasoning process. Our framework relies exclusively on RL, without requiring process rewards or distillation for a cold start. % effectively generalizing to out-of-domain datasets and supporting both Base and Instruct models. Our experiments demonstrate that our method significantly outperforms previous strong RAG methods, even when compared to the closed-source GPT-4o-mini.

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.

In this paper, we introduce the AI Search Paradigm, a comprehensive blueprint for next-generation search systems capable of emulating human information processing and decision-making. The paradigm employs a modular architecture of four LLM-powered agents (Master, Planner, Executor and Writer) that dynamically adapt to the full spectrum of information needs, from simple factual queries to complex multi-stage reasoning tasks. These agents collaborate dynamically through coordinated workflows to evaluate query complexity, decompose problems into executable plans, and orchestrate tool usage, task execution, and content synthesis. We systematically present key methodologies for realizing this paradigm, including task planning and tool integration, execution strategies, aligned and robust retrieval-augmented generation, and efficient LLM inference, spanning both algorithmic techniques and infrastructure-level optimizations. By providing an in-depth guide to these foundational components, this work aims to inform the development of trustworthy, adaptive, and scalable AI search systems.

The rise of large language models (LLMs) has made natural language-driven route planning an emerging research area that encompasses rich user objectives. Current research exhibits two distinct approaches: direct route planning using LLM-as-Agent and graph-based searching strategies. However, LLMs in the former approach struggle to handle extensive map data, while the latter shows limited capability in understanding natural language preferences. Additionally, a more critical challenge arises from the highly heterogeneous and unpredictable spatio-temporal distribution of users across the globe. In this paper, we introduce a novel LLM-Assisted route Planning (LLMAP) system that employs an LLM-as-Parser to comprehend natural language, identify tasks, and extract user preferences and recognize task dependencies, coupled with a Multi-Step Graph construction with iterative Search (MSGS) algorithm as the underlying solver for optimal route finding. Our multi-objective optimization approach adaptively tunes objective weights to maximize points of interest (POI) quality and task completion rate while minimizing route distance, subject to three key constraints: user time limits, POI opening hours, and task dependencies. We conduct extensive experiments using 1,000 routing prompts sampled with varying complexity across 14 countries and 27 cities worldwide. The results demonstrate that our approach achieves superior performance with guarantees across multiple constraints.

The past years have seen Large Language Models (LLMs) strive not only as generative models but also as agents solving textual sequential decision-making tasks. When facing complex environments where their zero-shot abilities are insufficient, recent work showed online Reinforcement Learning (RL) could be used for the LLM agent to discover and learn efficient strategies interactively. However, most prior work sticks to on-policy algorithms, which greatly reduces the scope of methods such agents could use for both exploration and exploitation, such as experience replay and hindsight relabeling. Yet, such methods may be key for LLM learning agents, and in particular when designing autonomous intrinsically motivated agents sampling and pursuing their own goals (i.e. autotelic agents). This paper presents and studies an adaptation of Soft Actor-Critic and hindsight relabeling to LLM agents. Our method not only paves the path towards autotelic LLM agents that learn online but can also outperform on-policy methods in more classic multi-goal RL environments.

The advent of Large Language Models (LLMs) has significantly revolutionized web search. The emergence of LLM-based Search Agents marks a pivotal shift towards deeper, dynamic, autonomous information seeking. These agents can comprehend user intentions and environmental context and execute multi-turn retrieval with dynamic planning, extending search capabilities far beyond the web. Leading examples like OpenAI's Deep Research highlight their potential for deep information mining and real-world applications. This survey provides the first systematic analysis of search agents. We comprehensively analyze and categorize existing works from the perspectives of architecture, optimization, application, and evaluation, ultimately identifying critical open challenges and outlining promising future research directions in this rapidly evolving field. Our repository is available on https://github.com/YunjiaXi/Awesome-Search-Agent-Papers.

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.

Reinforcement learning struggles in the face of long-horizon tasks and sparse goals due to the difficulty in manual reward specification. While existing methods address this by adding intrinsic rewards, they may fail to provide meaningful guidance in long-horizon decision-making tasks with large state and action spaces, lacking purposeful exploration. Inspired by human cognition, we propose a new multi-modal model-based RL approach named Dreaming with Large Language Models (DLLM). DLLM integrates the proposed hinting subgoals from the LLMs into the model rollouts to encourage goal discovery and reaching in challenging tasks. By assigning higher intrinsic rewards to samples that align with the hints outlined by the language model during model rollouts, DLLM guides the agent toward meaningful and efficient exploration. Extensive experiments demonstrate that the DLLM outperforms recent methods in various challenging, sparse-reward environments such as HomeGrid, Crafter, and Minecraft by 27.7\%, 21.1\%, and 9.9\%, respectively.

Large language model (LLM) powered chatbots are primarily text-based today, and impose a large interactional cognitive load, especially for exploratory or sensemaking tasks such as planning a trip or learning about a new city. Because the interaction is textual, users have little scaffolding in the way of structure, informational "scent", or ability to specify high-level preferences or goals. We introduce ExploreLLM that allows users to structure thoughts, help explore different options, navigate through the choices and recommendations, and to more easily steer models to generate more personalized responses. We conduct a user study and show that users find it helpful to use ExploreLLM for exploratory or planning tasks, because it provides a useful schema-like structure to the task, and guides users in planning. The study also suggests that users can more easily personalize responses with high-level preferences with ExploreLLM. Together, ExploreLLM points to a future where users interact with LLMs beyond the form of chatbots, and instead designed to support complex user tasks with a tighter integration between natural language and graphical user interfaces.

Recent AI advancements, such as OpenAI's new models, are transforming LLMs into LRMs (Large Reasoning Models) that perform reasoning during inference, taking extra time and compute for higher-quality outputs. We aim to uncover the algorithmic framework for training LRMs. Methods like self-consistency, PRM, and AlphaZero suggest reasoning as guided search. We ask: what is the simplest, most scalable way to enable search in LLMs? We propose a post-training framework called Reinforcement Learning via Self-Play (RLSP). RLSP involves three steps: (1) supervised fine-tuning with human or synthetic demonstrations of the reasoning process, (2) using an exploration reward signal to encourage diverse and efficient reasoning behaviors, and (3) RL training with an outcome verifier to ensure correctness while preventing reward hacking. Our key innovation is to decouple exploration and correctness signals during PPO training, carefully balancing them to improve performance and efficiency. Empirical studies in the math domain show that RLSP improves reasoning. On the Llama-3.1-8B-Instruct model, RLSP can boost performance by 23% in MATH-500 test set; On AIME 2024 math problems, Qwen2.5-32B-Instruct improved by 10% due to RLSP. However, a more important finding of this work is that the models trained using RLSP, even with the simplest exploration reward that encourages the model to take more intermediate steps, showed several emergent behaviors such as backtracking, exploration of ideas, and verification. These findings demonstrate that RLSP framework might be enough to enable emergence of complex reasoning abilities in LLMs when scaled. Lastly, we propose a theory as to why RLSP search strategy is more suitable for LLMs inspired by a remarkable result that says CoT provably increases computational power of LLMs, which grows as the number of steps in CoT li2024chain,merrill2023expresssive.

We investigate the extent to which contemporary Large Language Models (LLMs) can engage in exploration, a core capability in reinforcement learning and decision making. We focus on native performance of existing LLMs, without training interventions. We deploy LLMs as agents in simple multi-armed bandit environments, specifying the environment description and interaction history entirely in-context, i.e., within the LLM prompt. We experiment with GPT-3.5, GPT-4, and Llama2, using a variety of prompt designs, and find that the models do not robustly engage in exploration without substantial interventions: i) Across all of our experiments, only one configuration resulted in satisfactory exploratory behavior: GPT-4 with chain-of-thought reasoning and an externally summarized interaction history, presented as sufficient statistics; ii) All other configurations did not result in robust exploratory behavior, including those with chain-of-thought reasoning but unsummarized history. Although these findings can be interpreted positively, they suggest that external summarization -- which may not be possible in more complex settings -- is important for obtaining desirable behavior from LLM agents. We conclude that non-trivial algorithmic interventions, such as fine-tuning or dataset curation, may be required to empower LLM-based decision making agents in complex settings.

We introduce LLM-in-Sandbox, enabling LLMs to explore within a code sandbox (i.e., a virtual computer), to elicit general intelligence in non-code domains. We first demonstrate that strong LLMs, without additional training, exhibit generalization capabilities to leverage the code sandbox for non-code tasks. For example, LLMs spontaneously access external resources to acquire new knowledge, leverage the file system to handle long contexts, and execute scripts to satisfy formatting requirements. We further show that these agentic capabilities can be enhanced through LLM-in-Sandbox Reinforcement Learning (LLM-in-Sandbox-RL), which uses only non-agentic data to train models for sandbox exploration. Experiments demonstrate that LLM-in-Sandbox, in both training-free and post-trained settings, achieves robust generalization spanning mathematics, physics, chemistry, biomedicine, long-context understanding, and instruction following. Finally, we analyze LLM-in-Sandbox's efficiency from computational and system perspectives, and open-source it as a Python package to facilitate real-world deployment.

Reinforcement learning with verifiable rewards (RLVR) is a powerful paradigm for enhancing the reasoning capabilities of large language models (LLMs), yet its success hinges on effective exploration. An ideal exploration strategy must navigate two fundamental challenges: it must preserve sample quality while also ensuring training stability. While standard fixed-temperature sampling is simple, it struggles to balance these competing demands, as high temperatures degrade sample quality and low temperatures limit discovery. In this work, we propose a simpler and more effective strategy, Exploratory Annealed Decoding (EAD), grounded in the insight that exploration is most impactful on early tokens which define a sequence's semantic direction. EAD implements an intuitive **explore-at-the-beginning, exploit-at-the-end** strategy by annealing the sampling temperature from high to low during generation. This dynamic schedule encourages meaningful, high-level diversity at the start, then gradually lowers the temperature to preserve sample quality and keep the sampling distribution close to the target policy, which is essential for stable training. We demonstrate that EAD is a lightweight, plug-and-play method that significantly improves sample efficiency, consistently outperforming fixed-temperature sampling across various RLVR algorithms and model sizes. Our work suggests that aligning exploration with the natural dynamics of sequential generation offers a robust path to improving LLM reasoning.

The field of efficient Large Language Model (LLM) inference is rapidly evolving, presenting a unique blend of opportunities and challenges. Although the field has expanded and is vibrant, there hasn't been a concise framework that analyzes the various methods of LLM Inference to provide a clear understanding of this domain. Our survey stands out from traditional literature reviews by not only summarizing the current state of research but also by introducing a framework based on roofline model for systematic analysis of LLM inference techniques. This framework identifies the bottlenecks when deploying LLMs on hardware devices and provides a clear understanding of practical problems, such as why LLMs are memory-bound, how much memory and computation they need, and how to choose the right hardware. We systematically collate the latest advancements in efficient LLM inference, covering crucial areas such as model compression (e.g., Knowledge Distillation and Quantization), algorithm improvements (e.g., Early Exit and Mixture-of-Expert), and both hardware and system-level enhancements. Our survey stands out by analyzing these methods with roofline model, helping us understand their impact on memory access and computation. This distinctive approach not only showcases the current research landscape but also delivers valuable insights for practical implementation, positioning our work as an indispensable resource for researchers new to the field as well as for those seeking to deepen their understanding of efficient LLM deployment. The analyze tool, LLM-Viewer, is open-sourced.

Large Language Model (LLM) Agents exhibit inherent reasoning abilities through the collaboration of multiple tools. However, during agent inference, existing methods often suffer from (i) locally myopic generation, due to the absence of lookahead, and (ii) trajectory instability, where minor early errors can escalate into divergent reasoning paths. These issues make it difficult to balance global effectiveness and computational efficiency. To address these two issues, we propose meta-adaptive exploration with LLM agents https://github.com/exoskeletonzj/MAXS, a meta-adaptive reasoning framework based on LLM Agents that flexibly integrates tool execution and reasoning planning. MAXS employs a lookahead strategy to extend reasoning paths a few steps ahead, estimating the advantage value of tool usage, and combines step consistency variance and inter-step trend slopes to jointly select stable, consistent, and high-value reasoning steps. Additionally, we introduce a trajectory convergence mechanism that controls computational cost by halting further rollouts once path consistency is achieved, enabling a balance between resource efficiency and global effectiveness in multi-tool reasoning. We conduct extensive empirical studies across three base models (MiMo-VL-7B, Qwen2.5-VL-7B, Qwen2.5-VL-32B) and five datasets, demonstrating that MAXS consistently outperforms existing methods in both performance and inference efficiency. Further analysis confirms the effectiveness of our lookahead strategy and tool usage.

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.

LLM agents excel when environments are mostly static and the needed information fits in a model's context window, but they often fail in open-ended investigations where explanations must be constructed by iteratively mining evidence from massive, heterogeneous operational data. These investigations exhibit hidden dependency structure: entities interact, signals co-vary, and the importance of a fact may only become clear after other evidence is discovered. Because the context window is bounded, agents must summarize intermediate findings before their significance is known, increasing the risk of discarding key evidence. ReAct-style agents are especially brittle in this regime. Their retrieve-summarize-reason loop makes conclusions sensitive to exploration order and introduces run-to-run non-determinism, producing a reliability gap where Pass-at-k may be high but Majority-at-k remains low. Simply sampling more rollouts or generating longer reasoning traces does not reliably stabilize results, since hypotheses cannot be autonomously checked as new evidence arrives and there is no explicit mechanism for belief bookkeeping and revision. In addition, ReAct entangles semantic reasoning with controller duties such as tool orchestration and state tracking, so execution errors and plan drift degrade reasoning while consuming scarce context. We address these issues by formulating investigation as abductive reasoning over a dependency graph and proposing EoG (Explanations over Graphs), a disaggregated framework in which an LLM performs bounded local evidence mining and labeling (cause vs symptom) while a deterministic controller manages traversal, state, and belief propagation to compute a minimal explanatory frontier. On a representative ITBench diagnostics task, EoG improves both accuracy and run-to-run consistency over ReAct baselines, including a 7x average gain in Majority-at-k entity F1.

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on prompt design or fine-tuning strategies applied to vanilla LLMs, which often leads to limited effectiveness or suboptimal performance in complex agent-related environments. Although LLM optimization techniques can improve model performance across many general tasks, they lack specialized optimization towards critical agent functionalities such as long-term planning, dynamic environmental interaction, and complex decision-making. Although numerous recent studies have explored various strategies to optimize LLM-based agents for complex agent tasks, a systematic review summarizing and comparing these methods from a holistic perspective is still lacking. In this survey, we provide a comprehensive review of LLM-based agent optimization approaches, categorizing them into parameter-driven and parameter-free methods. We first focus on parameter-driven optimization, covering fine-tuning-based optimization, reinforcement learning-based optimization, and hybrid strategies, analyzing key aspects such as trajectory data construction, fine-tuning techniques, reward function design, and optimization algorithms. Additionally, we briefly discuss parameter-free strategies that optimize agent behavior through prompt engineering and external knowledge retrieval. Finally, we summarize the datasets and benchmarks used for evaluation and tuning, review key applications of LLM-based agents, and discuss major challenges and promising future directions. Our repository for related references is available at https://github.com/YoungDubbyDu/LLM-Agent-Optimization.

LLMs have immense potential for generating plans, transforming an initial world state into a desired goal state. A large body of research has explored the use of LLMs for various planning tasks, from web navigation to travel planning and database querying. However, many of these systems are tailored to specific problems, making it challenging to compare them or determine the best approach for new tasks. There is also a lack of clear and consistent evaluation criteria. Our survey aims to offer a comprehensive overview of current LLM planners to fill this gap. It builds on foundational work by Kartam and Wilkins (1990) and examines six key performance criteria: completeness, executability, optimality, representation, generalization, and efficiency. For each, we provide a thorough analysis of representative works and highlight their strengths and weaknesses. Our paper also identifies crucial future directions, making it a valuable resource for both practitioners and newcomers interested in leveraging LLM planning to support agentic workflows.

With the advancement of Multimodal Large Language Models (MLLM), LLM-driven visual agents are increasingly impacting software interfaces, particularly those with graphical user interfaces. This work introduces a novel LLM-based multimodal agent framework for mobile devices. This framework, capable of navigating mobile devices, emulates human-like interactions. Our agent constructs a flexible action space that enhances adaptability across various applications including parser, text and vision descriptions. The agent operates through two main phases: exploration and deployment. During the exploration phase, functionalities of user interface elements are documented either through agent-driven or manual explorations into a customized structured knowledge base. In the deployment phase, RAG technology enables efficient retrieval and update from this knowledge base, thereby empowering the agent to perform tasks effectively and accurately. This includes performing complex, multi-step operations across various applications, thereby demonstrating the framework's adaptability and precision in handling customized task workflows. Our experimental results across various benchmarks demonstrate the framework's superior performance, confirming its effectiveness in real-world scenarios. Our code will be open source soon.

As robots become increasingly capable, users will want to describe high-level missions and have robots infer the relevant details. because pre-built maps are difficult to obtain in many realistic settings, accomplishing such missions will require the robot to map and plan online. while many semantic planning methods operate online, they are typically designed for well specified missions such as object search or exploration. recently, large language models (LLMs) have demonstrated powerful contextual reasoning abilities over a range of robotic tasks described in natural language. however, existing LLM-enabled planners typically do not consider online planning or complex missions; rather, relevant subtasks and semantics are provided by a pre-built map or a user. we address these limitations via spine, an online planner for missions with incomplete mission specifications provided in natural language. the planner uses an LLM to reason about subtasks implied by the mission specification and then realizes these subtasks in a receding horizon framework. tasks are automatically validated for safety and refined online with new map observations. we evaluate spine in simulation and real-world settings with missions that require multiple steps of semantic reasoning and exploration in cluttered outdoor environments of over 20,000m^2. compared to baselines that use existing LLM-enabled planning approaches, our method is over twice as efficient in terms of time and distance, requires less user interactions, and does not require a full map. Additional resources are provided at: https://zacravichandran.github.io/SPINE.

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.

The rise of large language models (LLMs) has revolutionized user interactions with knowledge-based systems, enabling chatbots to synthesize vast amounts of information and assist with complex, exploratory tasks. However, LLM-based chatbots often struggle to provide personalized support, particularly when users start with vague queries or lack sufficient contextual information. This paper introduces the Collaborative Assistant for Personalized Exploration (CARE), a system designed to enhance personalization in exploratory tasks by combining a multi-agent LLM framework with a structured user interface. CARE's interface consists of a Chat Panel, Solution Panel, and Needs Panel, enabling iterative query refinement and dynamic solution generation. The multi-agent framework collaborates to identify both explicit and implicit user needs, delivering tailored, actionable solutions. In a within-subject user study with 22 participants, CARE was consistently preferred over a baseline LLM chatbot, with users praising its ability to reduce cognitive load, inspire creativity, and provide more tailored solutions. Our findings highlight CARE's potential to transform LLM-based systems from passive information retrievers to proactive partners in personalized problem-solving and exploration.

A common use of NLP is to facilitate the understanding of large document collections, with a shift from using traditional topic models to Large Language Models. Yet the effectiveness of using LLM for large corpus understanding in real-world applications remains under-explored. This study measures the knowledge users acquire with unsupervised, supervised LLM-based exploratory approaches or traditional topic models on two datasets. While LLM-based methods generate more human-readable topics and show higher average win probabilities than traditional models for data exploration, they produce overly generic topics for domain-specific datasets that do not easily allow users to learn much about the documents. Adding human supervision to the LLM generation process improves data exploration by mitigating hallucination and over-genericity but requires greater human effort. In contrast, traditional. models like Latent Dirichlet Allocation (LDA) remain effective for exploration but are less user-friendly. We show that LLMs struggle to describe the haystack of large corpora without human help, particularly domain-specific data, and face scaling and hallucination limitations due to context length constraints. Dataset available at https://huggingface. co/datasets/zli12321/Bills.

Large language models (LLMs) have unlocked new capabilities of task planning from human instructions. However, prior attempts to apply LLMs to real-world robotic tasks are limited by the lack of grounding in the surrounding scene. In this paper, we develop NLMap, an open-vocabulary and queryable scene representation to address this problem. NLMap serves as a framework to gather and integrate contextual information into LLM planners, allowing them to see and query available objects in the scene before generating a context-conditioned plan. NLMap first establishes a natural language queryable scene representation with Visual Language models (VLMs). An LLM based object proposal module parses instructions and proposes involved objects to query the scene representation for object availability and location. An LLM planner then plans with such information about the scene. NLMap allows robots to operate without a fixed list of objects nor executable options, enabling real robot operation unachievable by previous methods. Project website: https://nlmap-saycan.github.io

Designing robotic agents to perform open vocabulary tasks has been the long-standing goal in robotics and AI. Recently, Large Language Models (LLMs) have achieved impressive results in creating robotic agents for performing open vocabulary tasks. However, planning for these tasks in the presence of uncertainties is challenging as it requires chain-of-thought reasoning, aggregating information from the environment, updating state estimates, and generating actions based on the updated state estimates. In this paper, we present an interactive planning technique for partially observable tasks using LLMs. In the proposed method, an LLM is used to collect missing information from the environment using a robot and infer the state of the underlying problem from collected observations while guiding the robot to perform the required actions. We also use a fine-tuned Llama 2 model via self-instruct and compare its performance against a pre-trained LLM like GPT-4. Results are demonstrated on several tasks in simulation as well as real-world environments. A video describing our work along with some results could be found here.

Reinforcement learning drives recent advances in LLM reasoning and agentic capabilities, yet current approaches struggle with both exploration and exploitation. Exploration suffers from low success rates on difficult tasks and high costs of repeated rollouts from scratch. Exploitation suffers from coarse credit assignment and training instability: Trajectory-level rewards penalize valid prefixes for later errors, and failure-dominated groups overwhelm the few positive signals, leaving optimization without constructive direction. To this end, we propose R^3L, Reflect-then-Retry Reinforcement Learning with Language-Guided Exploration, Pivotal Credit, and Positive Amplification. To synthesize high-quality trajectories, R^3L shifts from stochastic sampling to active synthesis via reflect-then-retry, leveraging language feedback to diagnose errors, transform failed attempts into successful ones, and reduce rollout costs by restarting from identified failure points. With errors diagnosed and localized, Pivotal Credit Assignment updates only the diverging suffix where contrastive signals exist, excluding the shared prefix from gradient update. Since failures dominate on difficult tasks and reflect-then-retry produces off-policy data, risking training instability, Positive Amplification upweights successful trajectories to ensure positive signals guide the optimization process. Experiments on agentic and reasoning tasks demonstrate 5\% to 52\% relative improvements over baselines while maintaining training stability. Our code is released at https://github.com/shiweijiezero/R3L.

Large Language Models (LLMs) have demonstrated impressive planning abilities due to their vast "world knowledge". Yet, obtaining plans that are both feasible (grounded in affordances) and cost-effective (in plan length), remains a challenge, despite recent progress. This contrasts with heuristic planning methods that employ domain knowledge (formalized in action models such as PDDL) and heuristic search to generate feasible, optimal plans. Inspired by this, we propose to combine the power of LLMs and heuristic planning by leveraging the world knowledge of LLMs and the principles of heuristic search. Our approach, SayCanPay, employs LLMs to generate actions (Say) guided by learnable domain knowledge, that evaluates actions' feasibility (Can) and long-term reward/payoff (Pay), and heuristic search to select the best sequence of actions. Our contributions are (1) a novel framing of the LLM planning problem in the context of heuristic planning, (2) integrating grounding and cost-effective elements into the generated plans, and (3) using heuristic search over actions. Our extensive evaluations show that our model surpasses other LLM planning approaches.

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.

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.

Navigation in unfamiliar environments presents a major challenge for robots: while mapping and planning techniques can be used to build up a representation of the world, quickly discovering a path to a desired goal in unfamiliar settings with such methods often requires lengthy mapping and exploration. Humans can rapidly navigate new environments, particularly indoor environments that are laid out logically, by leveraging semantics -- e.g., a kitchen often adjoins a living room, an exit sign indicates the way out, and so forth. Language models can provide robots with such knowledge, but directly using language models to instruct a robot how to reach some destination can also be impractical: while language models might produce a narrative about how to reach some goal, because they are not grounded in real-world observations, this narrative might be arbitrarily wrong. Therefore, in this paper we study how the ``semantic guesswork'' produced by language models can be utilized as a guiding heuristic for planning algorithms. Our method, Language Frontier Guide (LFG), uses the language model to bias exploration of novel real-world environments by incorporating the semantic knowledge stored in language models as a search heuristic for planning with either topological or metric maps. We evaluate LFG in challenging real-world environments and simulated benchmarks, outperforming uninformed exploration and other ways of using language models.

Equipping Large Language Models (LLMs) with external tools enables them to solve complex real-world problems. However, the robustness of existing methods remains a critical challenge when confronting novel or evolving tools. Existing trajectory-centric paradigms primarily rely on memorizing static solution paths during training, which limits the ability of LLMs to generalize tool usage to newly introduced or previously unseen tools. In this paper, we propose ToolMaster, a framework that shifts tool use from imitating golden tool-calling trajectories to actively learning tool usage through interaction with the environment. To optimize LLMs for tool planning and invocation, ToolMaster adopts a trial-and-execution paradigm, which trains LLMs to first imitate teacher-generated trajectories containing explicit tool trials and self-correction, followed by reinforcement learning to coordinate the trial and execution phases jointly. This process enables agents to autonomously explore correct tool usage by actively interacting with environments and forming experiential knowledge that benefits tool execution. Experimental results demonstrate that ToolMaster significantly outperforms existing baselines in terms of generalization and robustness across unseen or unfamiliar tools. All code and data are available at https://github.com/NEUIR/ToolMaster.

The applications of large language models (LLMs) have expanded well beyond the confines of text processing, signaling a new era where LLMs are envisioned as generalist language agents capable of operating within complex real-world environments. These environments are often highly expansive, making it impossible for the LLM to process them within its short-term memory. Motivated by recent research on extending the capabilities of LLMs with tools, this paper investigates the intriguing potential of tools to augment LLMs in handling such complexity. To this end, we design customized tools to aid in the proactive exploration within these massive environments. Such tools can serve as a middleware layer shielding the LLM from environmental complexity. In two representative complex environments -- knowledge bases (KBs) and databases -- we demonstrate the significant potential of augmenting language agents with tools in complex environments. Notably, equipped with these tools, GPT-4 achieves 2.8X the performance of the best baseline in tasks requiring access to database content and 2.2X in KB tasks. Our findings illuminate the path for advancing language agents in complex real-world applications.

BIM models provide structured representations of building geometry, semantics, and topology, yet extracting specific information from them remains remarkably difficult. Current approaches translate natural language into structured queries by assuming a fixed data organization (static approach), which BIM heterogeneity eventually invalidates. We address this with a new paradigm, adaptive exploration, where an LLM-based agent iteratively executes code to extract information from a BIM model, discovering its structure at runtime instead of assuming it. We evaluate this approach on ifc-bench v2, an open-source BIM question-answering benchmark introduced alongside this work, comprising 1,027 tasks across 37 IFC models from 21 projects. A factorial ablation across two LLM capability levels and four augmentation strategies shows that adaptive exploration significantly outperforms static query generation across all configurations, regardless of the augmentation strategy. These results indicate that BIM heterogeneity is best addressed at the paradigm level, not by further optimizing static approaches.

Reinforcement Learning from Verifiable Rewards (RLVR) improves the reasoning abilities of Large Language Models (LLMs) but it struggles with unstable exploration. We propose FR3E (First Return, Entropy-Eliciting Explore), a structured exploration framework that identifies high-uncertainty decision points in reasoning trajectories and performs targeted rollouts to construct semantically grounded intermediate feedback. Our method provides targeted guidance without relying on dense supervision. Empirical results on mathematical reasoning benchmarks(AIME24) show that FR3E promotes more stable training, produces longer and more coherent responses, and increases the proportion of fully correct trajectories. These results highlight the framework's effectiveness in improving LLM reasoning through more robust and structured exploration.

Task planning can require defining myriad domain knowledge about the world in which a robot needs to act. To ameliorate that effort, large language models (LLMs) can be used to score potential next actions during task planning, and even generate action sequences directly, given an instruction in natural language with no additional domain information. However, such methods either require enumerating all possible next steps for scoring, or generate free-form text that may contain actions not possible on a given robot in its current context. We present a programmatic LLM prompt structure that enables plan generation functional across situated environments, robot capabilities, and tasks. Our key insight is to prompt the LLM with program-like specifications of the available actions and objects in an environment, as well as with example programs that can be executed. We make concrete recommendations about prompt structure and generation constraints through ablation experiments, demonstrate state of the art success rates in VirtualHome household tasks, and deploy our method on a physical robot arm for tabletop tasks. Website at progprompt.github.io

Reward models (RMs) play a critical role in enhancing the reasoning performance of LLMs. For example, they can provide training signals to finetune LLMs during reinforcement learning (RL) and help select the best answer from multiple candidates during inference. In this paper, we provide a systematic introduction to RMs, along with a comprehensive survey of their applications in LLM reasoning. We first review fundamental concepts of RMs, including their architectures, training methodologies, and evaluation techniques. Then, we explore their key applications: (1) guiding generation and selecting optimal outputs during LLM inference, (2) facilitating data synthesis and iterative self-improvement for LLMs, and (3) providing training signals in RL-based finetuning. Finally, we discuss critical open questions regarding the selection, generalization, evaluation, and enhancement of RMs, based on existing research and our own empirical findings. Our analysis aims to provide actionable insights for the effective deployment and advancement of RMs for LLM reasoning.

The primary limitation of large language models (LLMs) is their restricted understanding of the world. This poses significant difficulties for LLM-based agents, particularly in domains where pre-trained LLMs lack sufficient knowledge. In this paper, we introduce a novel framework, called AutoGuide, that bridges the knowledge gap in pre-trained LLMs by leveraging implicit knowledge in offline experiences. Specifically, AutoGuide effectively extracts knowledge embedded in offline data by extracting a set of state-aware guidelines. Importantly, each state-aware guideline is expressed in concise natural language and follows a conditional structure, clearly describing the state where it is applicable. As such, the resulting guidelines enable a principled way to provide helpful knowledge pertinent to an agent's current decision-making process. We show that our approach outperforms competitive LLM-based baselines by a large margin in sequential decision-making benchmarks.

Open-ended learning agents must efficiently prioritize goals in vast possibility spaces, focusing on those that maximize learning progress (LP). When such autotelic exploration is achieved by LLM agents trained with online RL in high-dimensional and evolving goal spaces, a key challenge for LP prediction is modeling one's own competence, a form of metacognitive monitoring. Traditional approaches either require extensive sampling or rely on brittle expert-defined goal groupings. We introduce MAGELLAN, a metacognitive framework that lets LLM agents learn to predict their competence and LP online. By capturing semantic relationships between goals, MAGELLAN enables sample-efficient LP estimation and dynamic adaptation to evolving goal spaces through generalization. In an interactive learning environment, we show that MAGELLAN improves LP prediction efficiency and goal prioritization, being the only method allowing the agent to fully master a large and evolving goal space. These results demonstrate how augmenting LLM agents with a metacognitive ability for LP predictions can effectively scale curriculum learning to open-ended goal spaces.

To handle ambiguous and open-ended requests, Large Language Models (LLMs) are increasingly trained to interact with users to surface intents they have not yet expressed (e.g., ask clarification questions). However, users are often ambiguous because they have not yet formed their intents: they must observe and explore outcomes to discover what they want. Simply asking "what kind of tone do you want?" fails when users themselves do not know. We introduce DiscoverLLM, a novel and generalizable framework that trains LLMs to help users form and discover their intents. Central to our approach is a novel user simulator that models cognitive state with a hierarchy of intents that progressively concretize as the model surfaces relevant options -- where the degree of concretization serves as a reward signal that models can be trained to optimize. Resulting models learn to collaborate with users by adaptively diverging (i.e., explore options) when intents are unclear, and converging (i.e., refine and implement) when intents concretize. Across proposed interactive benchmarks in creative writing, technical writing, and SVG drawing, DiscoverLLM achieves over 10% higher task performance while reducing conversation length by up to 40%. In a user study with 75 human participants, DiscoverLLM improved conversation satisfaction and efficiency compared to baselines.

Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited ability in acquiring external knowledge for innovation. To address this problem, we introduce an enhanced planning and search methodology designed to boost the creative potential of LLM-based systems. Our approach involves an iterative process to purposely plan the retrieval of external knowledge, progressively enriching the idea generation with broader and deeper insights. Validation through automated and human assessments indicates that our framework substantially elevates the quality of generated ideas, particularly in novelty and diversity. The number of unique novel ideas produced by our framework is 3.4 times higher than without it. Moreover, our method outperforms the current state-of-the-art, generating at least 2.5 times more top-rated ideas based on 170 seed papers in a Swiss Tournament evaluation.

Large Language Models have demonstrated remarkable abilities in reasoning and planning by breaking down complex problems into sequential steps. Despite their success in various domains like mathematical problem-solving and coding, LLMs face challenges in ensuring reliable and optimal planning due to their inherent myopic nature of autoregressive decoding. This paper revisits LLM reasoning from an optimal-control perspective, proposing a novel method, Predictive-Decoding, that leverages Model Predictive Control to enhance planning accuracy. By re-weighting LLM distributions based on foresight trajectories, Predictive-Decoding aims to mitigate early errors and promote non-myopic planning. Our experiments show significant improvements in a wide range of tasks for math, coding, and agents. Furthermore, Predictive-Decoding demonstrates computational efficiency, outperforming search baselines with reduced computational resources. This study provides insights into optimizing LLM planning capabilities.

Large Language Models (LLMs) can learn new tasks through in-context supervised learning (i.e., ICL). This work studies if this ability extends to in-context reinforcement learning (ICRL), where models are not given gold labels in context, but only their past predictions and rewards. We show that a naive application of ICRL fails miserably, and identify the root cause as a fundamental deficiency at exploration, which leads to quick model degeneration. We propose an algorithm to address this deficiency by increasing test-time compute, as well as a compute-bound approximation. We use several challenging classification tasks to empirically show that our ICRL algorithms lead to effective learning from rewards alone, and analyze the characteristics of this ability and our methods. Overall, our results reveal remarkable ICRL abilities in LLMs.

Large language models (LLMs) excel at knowledge-intensive question answering and reasoning, yet their real-world deployment remains constrained by knowledge cutoff, hallucination, and limited interaction modalities. Augmenting LLMs with external search tools helps alleviate these issues, but it also exposes agents to a complex search environment in which small, plausible variations in query formulation can steer reasoning into unproductive trajectories and amplify errors. We present a systematic analysis that quantifies how environmental complexity induces fragile search behaviors and, in turn, degrades overall performance. To address this challenge, we propose a simple yet effective approach to instantiate a search agent, RE-Searcher. During search, RE-Searcher explicitly articulates a concrete search goal and subsequently reflects on whether the retrieved evidence satisfies that goal. This combination of goal-oriented planning and self-reflection enables RE-Searcher to resist spurious cues in complex search environments and perform robust search. Extensive experiments show that our method improves search accuracy and achieves state-of-the-art results. Perturbation studies further demonstrate substantial resilience to noisy or misleading external signals, mitigating the fragility of the search process. We believe these findings offer practical guidance for integrating LLM-powered agents into more complex interactive environments and enabling more autonomous decision-making.

Current literature, aiming to surpass the "Chain-of-Thought" approach, often resorts to an external modus operandi involving halting, modifying, and then resuming the generation process to boost Large Language Models' (LLMs) reasoning capacities. This mode escalates the number of query requests, leading to increased costs, memory, and computational overheads. Addressing this, we propose the Algorithm of Thoughts -- a novel strategy that propels LLMs through algorithmic reasoning pathways, pioneering a new mode of in-context learning. By employing algorithmic examples, we exploit the innate recurrence dynamics of LLMs, expanding their idea exploration with merely one or a few queries. Our technique outperforms earlier single-query methods and stands on par with a recent multi-query strategy that employs an extensive tree search algorithm. Intriguingly, our results suggest that instructing an LLM using an algorithm can lead to performance surpassing that of the algorithm itself, hinting at LLM's inherent ability to weave its intuition into optimized searches. We probe into the underpinnings of our method's efficacy and its nuances in application.

Intrigued by the claims of emergent reasoning capabilities in LLMs trained on general web corpora, in this paper, we set out to investigate their planning capabilities. We aim to evaluate (1) the effectiveness of LLMs in generating plans autonomously in commonsense planning tasks and (2) the potential of LLMs as a source of heuristic guidance for other agents (AI planners) in their planning tasks. We conduct a systematic study by generating a suite of instances on domains similar to the ones employed in the International Planning Competition and evaluate LLMs in two distinct modes: autonomous and heuristic. Our findings reveal that LLMs' ability to generate executable plans autonomously is rather limited, with the best model (GPT-4) having an average success rate of ~12% across the domains. However, the results in the heuristic mode show more promise. In the heuristic mode, we demonstrate that LLM-generated plans can improve the search process for underlying sound planners and additionally show that external verifiers can help provide feedback on the generated plans and back-prompt the LLM for better plan generation.

Reinforcement learning (RL) has shown impressive results in sequential decision-making tasks. Meanwhile, Large Language Models (LLMs) and Vision-Language Models (VLMs) have emerged, exhibiting impressive capabilities in multimodal understanding and reasoning. These advances have led to a surge of research integrating LLMs and VLMs into RL. In this survey, we review representative works in which LLMs and VLMs are used to overcome key challenges in RL, such as lack of prior knowledge, long-horizon planning, and reward design. We present a taxonomy that categorizes these LLM/VLM-assisted RL approaches into three roles: agent, planner, and reward. We conclude by exploring open problems, including grounding, bias mitigation, improved representations, and action advice. By consolidating existing research and identifying future directions, this survey establishes a framework for integrating LLMs and VLMs into RL, advancing approaches that unify natural language and visual understanding with sequential decision-making.

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.

Agentic search leverages LLMs to solve complex user information needs by executing a multi-step process of planning, searching, and synthesizing information to provide answers. This paradigm introduces unique challenges for LLMs' agentic reasoning capabilities when interacting with search systems. In this paper, we propose an LLM-based pipeline to study effective reasoning behavior patterns in agentic search by analyzing agentic search trajectories. Using this pipeline, we identify four beneficial reasoning behaviors: Information Verification, Authority Evaluation, Adaptive Search, and Error Recovery. Based on these findings, we propose a technique called Behavior Priming to train agentic search models. It synthesizes trajectories that exhibit these four behaviors and integrates them into the agentic search model through SFT, followed by standard reinforcement learning. Experiments on Qwen3-1.7B and Llama3.2-3B-Instruct across three web benchmarks and seven multi-hop QA benchmarks demonstrate that behavior priming 1) yields significant performance gains compared to training with direct RL, and 2) outperforms other SFT-then-RL baselines, such as those SFT on randomly selected trajectories or on trajectories with merely correct outcomes. Crucially, we demonstrate that the reasoning behaviors, rather than the correctness of the final answer, is the critical factor for achieving strong performance in RL: SFT on trajectories with reasoning behaviors but incorrect answers leads to comparable performance with SFT on those with reasoning behaviors and correct answers. Our analysis further reveals that the introduced reasoning behaviors endow models with more effective exploration (higher pass@k and entropy) and test-time scaling (longer trajectories) capabilities, providing a strong foundation for RL. Our code are avalible at https://github.com/cxcscmu/Behavior_Priming_For_Agentic_Search.

In this paper, we introduce Latent Go-Explore (LGE), a simple and general approach based on the Go-Explore paradigm for exploration in reinforcement learning (RL). Go-Explore was initially introduced with a strong domain knowledge constraint for partitioning the state space into cells. However, in most real-world scenarios, drawing domain knowledge from raw observations is complex and tedious. If the cell partitioning is not informative enough, Go-Explore can completely fail to explore the environment. We argue that the Go-Explore approach can be generalized to any environment without domain knowledge and without cells by exploiting a learned latent representation. Thus, we show that LGE can be flexibly combined with any strategy for learning a latent representation. Our results indicate that LGE, although simpler than Go-Explore, is more robust and outperforms state-of-the-art algorithms in terms of pure exploration on multiple hard-exploration environments including Montezuma's Revenge. The LGE implementation is available as open-source at https://github.com/qgallouedec/lge.

Effective planning is essential for the success of any task, from organizing a vacation to routing autonomous vehicles and developing corporate strategies. It involves setting goals, formulating plans, and allocating resources to achieve them. LLMs are particularly well-suited for automated planning due to their strong capabilities in commonsense reasoning. They can deduce a sequence of actions needed to achieve a goal from a given state and identify an effective course of action. However, it is frequently observed that plans generated through direct prompting often fail upon execution. Our survey aims to highlight the existing challenges in planning with language models, focusing on key areas such as embodied environments, optimal scheduling, competitive and cooperative games, task decomposition, reasoning, and planning. Through this study, we explore how LLMs transform AI planning and provide unique insights into the future of LM-assisted planning.

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges significantly from human learning processes, and thus makes the agents hard to achieve human-like decisions. Recently, through the acquisition of vast amounts of web knowledge, large language models (LLMs) have demonstrated remarkable potential in achieving human-level intelligence. This has sparked an upsurge in studies investigating LLM-based autonomous agents. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of the field of LLM-based autonomous agents from a holistic perspective. More specifically, we first discuss the construction of LLM-based autonomous agents, for which we propose a unified framework that encompasses a majority of the previous work. Then, we present a comprehensive overview of the diverse applications of LLM-based autonomous agents in the fields of social science, natural science, and engineering. Finally, we delve into the evaluation strategies commonly used for LLM-based autonomous agents. Based on the previous studies, we also present several challenges and future directions in this field. To keep track of this field and continuously update our survey, we maintain a repository of relevant references at https://github.com/Paitesanshi/LLM-Agent-Survey.

Large Language Model (LLM) agents are deployed in complex environments -- such as massive codebases, enterprise databases, and conversational histories -- where the relevant state far exceeds their context windows. To navigate these spaces, an agent must iteratively explore the environment to find relevant information. However, without explicit infrastructure, an agent's working memory can degrade into lossy representations of the search state, resulting in redundant work (e.g. repetitive looping) and premature stopping. In this work, we formalize this challenge as the Context Gathering Decision Process (CGDP), a specialized Partially Observable Markov Decision Process, where an agent's objective is to adaptively refine its belief state to isolate the necessary information for a task. We model an LLM's behavior as approximate Thompson Sampling within this CGDP, and introduce a predicate-based method that decomposes an LLM's implicit search into explicit and modular operations. We then derive two plug-and-play interventions for iterative LLM agents: a persistent, predicate-based belief state that bounds context while preserving multi-hop reasoning, and a programmatic exhaustion gate that halts unproductive search without premature stopping. Across four methods and three question-answering domains, we empirically validate that replacing an LLM's implicit state with our CGDP-motivated belief state improves multi-hop reasoning by up to 11.4%; while the modular programmatic exhaustion detection saves up to 39% of tokens without any degradation in agent performance. Ultimately, we argue that framing the LLM agent loop as a CGDP can guide the design of modular, non-interfering improvements to agentic search harnesses.

We propose LLM-Interleaved (LLM-I), a flexible and dynamic framework that reframes interleaved image-text generation as a tool-use problem. LLM-I is designed to overcome the "one-tool" bottleneck of current unified models, which are limited to synthetic imagery and struggle with tasks requiring factual grounding or programmatic precision. Our framework empowers a central LLM or MLLM agent to intelligently orchestrate a diverse toolkit of specialized visual tools, including online image search, diffusion-based generation, code execution, and image editing. The agent is trained to select and apply these tools proficiently via a Reinforcement Learning (RL) framework that features a hybrid reward system combining rule-based logic with judgments from LLM and MLLM evaluators. Trained on a diverse new dataset using four different model backbones, LLM-I demonstrates state-of-the-art performance, outperforming existing methods by a large margin across four benchmarks. We also introduce a novel test-time scaling strategy that provides further performance gains. Project Page: https://github.com/ByteDance-BandAI/LLM-I.

Automatically synthesizing dense rewards from natural language descriptions is a promising paradigm in reinforcement learning (RL), with applications to sparse reward problems, open-ended exploration, and hierarchical skill design. Recent works have made promising steps by exploiting the prior knowledge of large language models (LLMs). However, these approaches suffer from important limitations: they are either not scalable to problems requiring billions of environment samples, due to requiring LLM annotations for each observation, or they require a diverse offline dataset, which may not exist or be impossible to collect. In this work, we address these limitations through a combination of algorithmic and systems-level contributions. We propose \oni, a distributed architecture that simultaneously learns an RL policy and an intrinsic reward function using LLM feedback. Our approach annotates the agent's collected experience via an asynchronous LLM server, which is then distilled into an intrinsic reward model. We explore a range of algorithmic choices for reward modeling with varying complexity, including hashing, classification, and ranking models. By studying their relative tradeoffs, we shed light on questions regarding intrinsic reward design for sparse reward problems. Our approach achieves state-of-the-art performance across a range of challenging, sparse reward tasks from the NetHack Learning Environment in a simple unified process, solely using the agent's gathered experience, without requiring external datasets. We make our code available at https://github.com/facebookresearch/oni.

Tool-using LLM agents still struggle in open-world settings with large tool pools, long-horizon objectives, wild constraints, and unreliable tool states. For scalable and realistic training and testing, we introduce an open-world tool-using environment, built on 5,571 format unified tools across 204 commonly used apps. It includes a task creation engine that synthesizes long-horizon, multi-tool workflows with wild constraints, and a state controller that injects interruptions and failures to stress-test robustness. On top of this environment, we develop a tool select-then-execute agent framework with a planner-actor decomposition to separate deliberate reasoning and self-correction from step-wise execution. Comprehensive evaluation of state-of-the-art LLMs reveals the misalignment between tool planning and execution abilities, the constraint following weakness of existing LLMs, and DeepSeek-v3.2's strongest robustness. Finally, we collect 1,170 trajectories from our environment to fine-tune LLMs, achieving superior performance to baselines using 119k samples, indicating the environment's value as both a realistic benchmark and a data engine for tool-using agents. Our code and data will be publicly released.

Machine learning, the foundation of modern artificial intelligence, has driven innovations that have fundamentally transformed the world. Yet, behind advancements lies a complex and often tedious process requiring labor and compute intensive iteration and experimentation. Engineers and scientists developing machine learning models spend much of their time on trial-and-error tasks instead of conceptualizing innovative solutions or research hypotheses. To address this challenge, we introduce AI-Driven Exploration (AIDE), a machine learning engineering agent powered by large language models (LLMs). AIDE frames machine learning engineering as a code optimization problem, and formulates trial-and-error as a tree search in the space of potential solutions. By strategically reusing and refining promising solutions, AIDE effectively trades computational resources for enhanced performance, achieving state-of-the-art results on multiple machine learning engineering benchmarks, including our Kaggle evaluations, OpenAI MLE-Bench and METRs RE-Bench.

Training on large amounts of rationales (i.e., CoT Fine-tuning) is effective at improving the reasoning capabilities of large language models (LLMs). However, acquiring human-authored rationales or augmenting rationales from proprietary models is costly and not scalable. In this paper, we study the problem of whether LLMs could self-improve their reasoning capabilities. To this end, we propose Self-Explore, where the LLM is tasked to explore the first wrong step (i.e., the first pit) within the rationale and use such signals as fine-grained rewards for further improvement. On the GSM8K and MATH test set, Self-Explore achieves 11.57% and 2.89% improvement on average across three LLMs compared to supervised fine-tuning (SFT). Our code is available at https://github.com/hbin0701/Self-Explore.

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundaries extend. Existing benchmarks are mostly static and provide limited support for systematic knowledge probing. In this paper, we propose an interactive agentic framework to systematically extract and quantify the knowledge of LLMs. Our method includes four adaptive exploration policies to probe knowledge at different granularities. To ensure the quality of extracted knowledge, we introduce a three-stage knowledge processing pipeline that combines vector-based filtering to remove exact duplicates, LLM-based adjudication to resolve ambiguous semantic overlaps, and domain-relevance auditing to retain valid knowledge units. Through extensive experiments, we find that recursive taxonomy is the most effective exploration strategy. We also observe a clear knowledge scaling law, where larger models consistently extract more knowledge. In addition, we identify a Pass@1-versus-Pass@k trade-off: domain-specialized models achieve higher initial accuracy but degrade rapidly, while general-purpose models maintain stable performance during extended extraction. Finally, our results show that differences in training data composition lead to distinct and measurable knowledge profiles across model families.

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of external sources from an internal knowledge cache that is progressively updated to guide both query generation and evidence selection. This design mitigates bias-reinforcement loops and enables dynamic, trackable search exploration paths, thereby optimizing the trade-off between exploring diverse information and maintaining accuracy through autonomous agent decision-making. Our approach is evaluated on a broad range of open-domain question answering benchmarks, including multi-step tasks that mirror real-world scenarios where integrating information from multiple sources is critical, especially given the vulnerabilities of LLMs that lack explicit reasoning or planning capabilities. The results show that the proposed system not only outperforms single-step baselines regardless of task difficulty but also, compared to conventional iterative retrieval methods, demonstrates pronounced advantages in complex tasks through precise evidence-based reasoning and enhanced efficiency. The proposed system supports both competitive and collaborative sharing of updated context, enabling multi-agent extension. The benefits of multi-agent configurations become especially prominent as task difficulty increases. The number of convergence steps scales with task difficulty, suggesting cost-effective scalability.

The Vision-and-Language Navigation (VLN) task requires an agent to follow natural language instructions and navigate through complex environments. Existing MLLM-based VLN methods primarily rely on imitation learning (IL) and often use DAgger for post-training to mitigate covariate shift. While effective, these approaches incur substantial data collection and training costs. Reinforcement learning (RL) offers a promising alternative. However, prior VLN RL methods lack dynamic interaction with the environment and depend on expert trajectories for reward shaping, rather than engaging in open-ended active exploration. This restricts the agent's ability to discover diverse and plausible navigation routes. To address these limitations, we propose ActiveVLN, a VLN framework that explicitly enables active exploration through multi-turn RL. In the first stage, a small fraction of expert trajectories is used for IL to bootstrap the agent. In the second stage, the agent iteratively predicts and executes actions, automatically collects diverse trajectories, and optimizes multiple rollouts via the GRPO objective. To further improve RL efficiency, we introduce a dynamic early-stopping strategy to prune long-tail or likely failed trajectories, along with additional engineering optimizations. Experiments show that ActiveVLN achieves the largest performance gains over IL baselines compared to both DAgger-based and prior RL-based post-training methods, while reaching competitive performance with state-of-the-art approaches despite using a smaller model. Code and data will be released soon.

Efficiently acquiring external knowledge and up-to-date information is essential for effective reasoning and text generation in large language models (LLMs). Retrieval augmentation and tool-use training approaches where a search engine is treated as a tool lack complex multi-turn retrieval flexibility or require large-scale supervised data. Prompting advanced LLMs with reasoning capabilities during inference to use search engines is not optimal, since the LLM does not learn how to optimally interact with the search engine. This paper introduces Search-R1, an extension of the DeepSeek-R1 model where the LLM learns -- solely through reinforcement learning (RL) -- to autonomously generate (multiple) search queries during step-by-step reasoning with real-time retrieval. Search-R1 optimizes LLM rollouts with multi-turn search interactions, leveraging retrieved token masking for stable RL training and a simple outcome-based reward function. Experiments on seven question-answering datasets show that Search-R1 improves performance by 26% (Qwen2.5-7B), 21% (Qwen2.5-3B), and 10% (LLaMA3.2-3B) over SOTA baselines. This paper further provides empirical insights into RL optimization methods, LLM choices, and response length dynamics in retrieval-augmented reasoning. The code and model checkpoints are available at https://github.com/PeterGriffinJin/Search-R1.

In this paper, we introduce Auto-Intent, a method to adapt a pre-trained large language model (LLM) as an agent for a target domain without direct fine-tuning, where we empirically focus on web navigation tasks. Our approach first discovers the underlying intents from target domain demonstrations unsupervisedly, in a highly compact form (up to three words). With the extracted intents, we train our intent predictor to predict the next intent given the agent's past observations and actions. In particular, we propose a self-exploration approach where top-k probable intent predictions are provided as a hint to the pre-trained LLM agent, which leads to enhanced decision-making capabilities. Auto-Intent substantially improves the performance of GPT-{3.5, 4} and Llama-3.1-{70B, 405B} agents on the large-scale real-website navigation benchmarks from Mind2Web and online navigation tasks from WebArena with its cross-benchmark generalization from Mind2Web.

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.

Reinforcement learning with verifiable rewards, particularly Group Relative Policy Optimization (GRPO), has significantly advanced the reasoning capabilities of Large Language Models (LLMs). However, in complex tasks, GRPO frequently suffers from the ``zero-advantage problem'': when all sampled rollouts for a query fail, the relative advantage collapses to zero. Consequently, the model loses effective training signals for these questions, wasting the training data and computational budget. While simply increasing the sampling budget for these questions is a common remedy, the static sampling policy inherently constrains reasoning exploration, limiting the success rate. In this paper, we propose Lorem Perturbation for Exploration (LoPE), a simple yet effective training framework to break this exploration bottleneck. We posit that task-irrelevant prompt-space perturbations can shift the model's output distribution enough to unlock orthogonal reasoning pathways for hard questions. Specifically, LoPE prepends sequences stochastically assembled from Lorem Ipsum vocabulary (a pseudo-Latin placeholder text) to the prompts before resampling. Experiments across 1.7B, 4B, and 7B models demonstrate that LoPE significantly outperforms resampling with the original prompts. Further analysis reveals that other Latin-based random sequences with low perplexity are also effective perturbations. Our results establish LoPE as a strong baseline for broadening exploration in LLM reinforcement learning.

Query expansion plays a crucial role in information retrieval, which aims to bridge the semantic gap between queries and documents to improve matching performance. This paper introduces LLM-QE, a novel approach that leverages Large Language Models (LLMs) to generate document-based query expansions, thereby enhancing dense retrieval models. Unlike traditional methods, LLM-QE designs both rank-based and answer-based rewards and uses these reward models to optimize LLMs to align with the ranking preferences of both retrievers and LLMs, thus mitigating the hallucination of LLMs during query expansion. Our experiments on the zero-shot dense retrieval model, Contriever, demonstrate the effectiveness of LLM-QE, achieving an improvement of over 8%. Furthermore, by incorporating answer-based reward modeling, LLM-QE generates more relevant and precise information related to the documents, rather than simply producing redundant tokens to maximize rank-based rewards. Notably, LLM-QE also improves the training process of dense retrievers, achieving a more than 5% improvement after fine-tuning. All codes are available at https://github.com/NEUIR/LLM-QE.

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.

LLM-based agents can autonomously accomplish complex tasks across various domains. However, to further cultivate capabilities such as adaptive behavior and long-term decision-making, training on static datasets built from human-level knowledge is insufficient. These datasets are costly to construct and lack both dynamism and realism. A growing consensus is that agents should instead interact directly with environments and learn from experience through reinforcement learning. We formalize this iterative process as the Generation-Execution-Feedback (GEF) loop, where environments generate tasks to challenge agents, return observations in response to agents' actions during task execution, and provide evaluative feedback on rollouts for subsequent learning. Under this paradigm, environments function as indispensable producers of experiential data, highlighting the need to scale them toward greater complexity, realism, and interactivity. In this survey, we systematically review representative methods for environment scaling from a pioneering environment-centric perspective and organize them along the stages of the GEF loop, namely task generation, task execution, and feedback. We further analyze benchmarks, implementation strategies, and applications, consolidating fragmented advances and outlining future research directions for agent intelligence.

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard retrieval-augmented generation. Recently, numerous studies have explored Deep Research (DR), which aims to combine the reasoning capabilities of LLMs with external tools, such as search engines, thereby empowering LLMs to act as research agents capable of completing complex, open-ended tasks. This survey presents a comprehensive and systematic overview of deep research systems, including a clear roadmap, foundational components, practical implementation techniques, important challenges, and future directions. Specifically, our main contributions are as follows: (i) we formalize a three-stage roadmap and distinguish deep research from related paradigms; (ii) we introduce four key components: query planning, information acquisition, memory management, and answer generation, each paired with fine-grained sub-taxonomies; (iii) we summarize optimization techniques, including prompting, supervised fine-tuning, and agentic reinforcement learning; and (iv) we consolidate evaluation criteria and open challenges, aiming to guide and facilitate future development. As the field of deep research continues to evolve rapidly, we are committed to continuously updating this survey to reflect the latest progress in this area.

Reinforcement learning from verifiable rewards (RLVR) has improved the reasoning abilities of LLMs, yet a fundamental limitation remains: models cannot learn from problems that are too difficult to solve under their current policy, as these yield no meaningful reward signal. We propose a simple yet effective solution based on task reformulation. We transform challenging open-ended problems into cognitively simpler variants -- such as multiple-choice and cloze formats -- that preserve the original answer while reducing the effective search space and providing denser learning signals. These reformulations span a spectrum from discriminative to generative tasks, which we exploit to bootstrap learning: models first learn from structured, easier formats, and this knowledge transfers back to improve performance on the original open-ended problems. Building on this insight, we introduce Cog-DRIFT, a framework that constructs reformulated variants and organizes them into an adaptive curriculum based on difficulty. Training progresses from easier to harder formats, enabling the model to learn from problems that previously yielded zero signal under standard RL post-training. Cog-DRIFT not only improves on the originally unsolvable hard problems (absolute +10.11% for Qwen and +8.64% for Llama) but also generalizes well to other held-out datasets. Across 2 models and 6 reasoning benchmarks, our method consistently outperforms standard GRPO and strong guided-exploration baselines. On average, Cog-DRIFT shows +4.72% (Qwen) and +3.23% (Llama) improvements over the second-best baseline. We further show that Cog-DRIFT improves pass@k at test time, and the curriculum improves sample efficiency. Overall, our results highlight task reformulation and curriculum learning as an effective paradigm for overcoming the exploration barrier in LLM post-training.

Existing LLM agent systems typically select actions from a fixed and predefined set at every step. While this approach is effective in closed, narrowly-scoped environments, we argue that it presents two major challenges when deploying LLM agents in real-world scenarios: (1) selecting from a fixed set of actions significantly restricts the planning and acting capabilities of LLM agents, and (2) this approach requires substantial human effort to enumerate and implement all possible actions, which becomes impractical in complex environments with a vast number of potential actions. In this work, we propose an LLM agent framework that enables the dynamic creation and composition of actions in an online manner. In this framework, the agent interacts with the environment by generating and executing programs written in a general-purpose programming language at each step. Furthermore, generated actions are accumulated over time for future reuse. Our extensive experiments on the GAIA benchmark demonstrate that this framework offers significantly greater flexibility and outperforms previous methods. Notably, it allows an LLM agent to recover in scenarios where no relevant action exists in the predefined set or when existing actions fail due to unforeseen edge cases. At the time of writing, we hold the top position on the GAIA public leaderboard. Our code can be found in https://github.com/adobe-research/dynasaur{https://github.com/adobe-research/dynasaur}.

Large Language Models (LLMs) struggle to directly generate correct plans for complex multi-constraint planning problems, even with self-verification and self-critique. For example, a U.S. domestic travel planning benchmark TravelPlanner was proposed in Xie et al. (2024), where the best LLM OpenAI o1-preview can only find viable travel plans with a 10% success rate given all needed information. In this work, we tackle this by proposing an LLM-based planning framework that formalizes and solves complex multi-constraint planning problems as constrained satisfiability problems, which are further consumed by sound and complete satisfiability solvers. We start with TravelPlanner as the primary use case and show that our framework achieves a success rate of 93.9% and is effective with diverse paraphrased prompts. More importantly, our framework has strong zero-shot generalizability, successfully handling unseen constraints in our newly created unseen international travel dataset and generalizing well to new fundamentally different domains. Moreover, when user input queries are infeasible, our framework can identify the unsatisfiable core, provide failure reasons, and offers personalized modification suggestions. We show that our framework can modify and solve for an average of 81.6% and 91.7% unsatisfiable queries from two datasets and prove with ablations that all key components of our framework are effective and necessary. Project page: https://sites.google.com/view/llm-rwplanning.