Daily Papers

Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent system that integrates large language models (LLMs) and knowledge graphs (KGs). By leveraging LLMs' powerful capabilities for extracting and recognizing chemical substance names, and storing the extracted data in a structured knowledge graph, our system fully automates the retrieval of relevant literatures, extraction of reaction data, database querying, construction of retrosynthetic pathway trees, further expansion through the retrieval of additional literature and recommendation of optimal reaction pathways. A novel Multi-branched Reaction Pathway Search (MBRPS) algorithm enables the exploration of all pathways, with a particular focus on multi-branched ones, helping LLMs overcome weak reasoning in multi-branched paths. This work represents the first attempt to develop a fully automated retrosynthesis planning agent tailored specially for macromolecules powered by LLMs. Applied to polyimide synthesis, our new approach constructs a retrosynthetic pathway tree with hundreds of pathways and recommends optimized routes, including both known and novel pathways, demonstrating its effectiveness and potential for broader applications.

Retrosynthesis prediction aims to infer the reactant molecule based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing models rely on static pattern-matching paradigm, which limits their ability to perform effective logic decision-making, leading to black-box decision-making. Building on this, we propose Retro-Expert, an interpretable retrosynthesis framework that performs collaborative reasoning by combining the complementary reasoning strengths of Large Language Models and specialized models via reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models perform shallow reasoning to construct high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions and corresponding interpretable reasoning path, and (3) reinforcement learning optimizing interpretable decision policy. Experiments show that Retro-Expert not only surpasses both LLM-based and specialized models across different metrics but also provides expert-aligned explanations that bridge the gap between AI predictions and actionable chemical insights.

Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only the product as the input to predict the reactants for each planning step and ignoring valuable context information along the synthetic route. In this work, we propose a novel framework that utilizes context information for improved retrosynthetic planning. We view synthetic routes as reaction graphs and propose to incorporate context through three principled steps: encode molecules into embeddings, aggregate information over routes, and readout to predict reactants. Our approach is the first attempt to utilize in-context learning for retrosynthesis prediction in retrosynthetic planning. The entire framework can be efficiently optimized in an end-to-end fashion and produce more practical and accurate predictions. Comprehensive experiments demonstrate that by fusing in the context information over routes, our model significantly improves the performance of retrosynthetic planning over baselines that are not context-aware, especially for long synthetic routes. Code is available at https://github.com/SongtaoLiu0823/FusionRetro.

Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis planning as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability. Traditional graph-based and sequence-to-sequence models often lack generalized chemical knowledge, leading to predictions that are neither consistently accurate nor easily explainable. To address these challenges, we introduce RetroDFM-R, a reasoning-based large language model (LLM) designed specifically for chemical retrosynthesis. Leveraging large-scale reinforcement learning guided by chemically verifiable rewards, RetroDFM-R significantly enhances prediction accuracy and explainability. Comprehensive evaluations demonstrate that RetroDFM-R significantly outperforms state-of-the-art methods, achieving a top-1 accuracy of 65.0% on the USPTO-50K benchmark. Double-blind human assessments further validate the chemical plausibility and practical utility of RetroDFM-R's predictions. RetroDFM-R also accurately predicts multistep retrosynthetic routes reported in the literature for both real-world drug molecules and perovskite materials. Crucially, the model's explicit reasoning process provides human-interpretable insights, thereby enhancing trust and practical value in real-world retrosynthesis applications.

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

Molecules play a crucial role in biomedical research and discovery, particularly in the field of small molecule drug development. Given the rapid advancements in large language models, especially the recent emergence of reasoning models, it is natural to explore how a general-purpose language model can be efficiently adapted for molecular science applications. In this work, we introduce BioMedGPT-Mol, a molecular language model designed to support molecular understanding and generation tasks. By curating and unifying existing public instruction datasets, we have assembled a large-scale, comprehensive, and high-quality training dataset. The model is then fine-tuned through a meticulously designed multi-task learning framework. On a consolidated benchmark derived from LlaSMol, TOMG-Bench, and MuMOInstruct, BioMedGPT-Mol achieves remarkable performance. Our experimental results demonstrate that a general-purpose reasoning model can be effectively and efficiently post-trained into a professional molecular language model through a well-structured multi-task curriculum. Leveraging these capabilities, we further apply the model to multi-step retrosynthetic planning, achieving state-of-the-art performance on RetroBench and demonstrating its superior efficacy as an end-to-end retrosynthetic planner. We anticipate that our approach can be extended to other biomedical scientific domains.

Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent years, incorporating diverse levels of additional chemical knowledge dependency. This paper introduces UAlign, a template-free graph-to-sequence pipeline for retrosynthesis prediction. By combining graph neural networks and Transformers, our method can more effectively leverage the inherent graph structure of molecules. Based on the fact that the majority of molecule structures remain unchanged during a chemical reaction, we propose a simple yet effective SMILES alignment technique to facilitate the reuse of unchanged structures for reactant generation. Extensive experiments show that our method substantially outperforms state-of-the-art template-free and semi-template-based approaches. Importantly, Our template-free method achieves effectiveness comparable to, or even surpasses, established powerful template-based methods. Scientific contribution: We present a novel graph-to-sequence template-free retrosynthesis prediction pipeline that overcomes the limitations of Transformer-based methods in molecular representation learning and insufficient utilization of chemical information. We propose an unsupervised learning mechanism for establishing product-atom correspondence with reactant SMILES tokens, achieving even better results than supervised SMILES alignment methods. Extensive experiments demonstrate that UAlign significantly outperforms state-of-the-art template-free methods and rivals or surpasses template-based approaches, with up to 5\% (top-5) and 5.4\% (top-10) increased accuracy over the strongest baseline.

As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule. Existing template-free approaches only consider the graph structures of the target molecule, which often cannot generalize well to rare reaction types and large molecules. Here, we propose T-Rex, a text-assisted retrosynthesis prediction approach that exploits pre-trained text language models, such as ChatGPT, to assist the generation of reactants. T-Rex first exploits ChatGPT to generate a description for the target molecule and rank candidate reaction centers based both the description and the molecular graph. It then re-ranks these candidates by querying the descriptions for each reactants and examines which group of reactants can best synthesize the target molecule. We observed that T-Rex substantially outperformed graph-based state-of-the-art approaches on two datasets, indicating the effectiveness of considering text information. We further found that T-Rex outperformed the variant that only use ChatGPT-based description without the re-ranking step, demonstrate how our framework outperformed a straightforward integration of ChatGPT and graph information. Collectively, we show that text generated by pre-trained language models can substantially improve retrosynthesis prediction, opening up new avenues for exploiting ChatGPT to advance computational chemistry. And the codes can be found at https://github.com/lauyikfung/T-Rex.

Computer-aided synthesis planning (CASP) has long been envisioned as a complementary tool for synthetic chemists. However, existing frameworks often lack mechanisms to allow interaction with human experts, limiting their ability to integrate chemists' insights. In this work, we introduce Synthelite, a synthesis planning framework that uses large language models (LLMs) to directly propose retrosynthetic transformations. Synthelite can generate end-to-end synthesis routes by harnessing the intrinsic chemical knowledge and reasoning capabilities of LLMs, while allowing expert intervention through natural language prompts. Our experiments demonstrate that Synthelite can flexibly adapt its planning trajectory to diverse user-specified constraints, achieving up to 95\% success rates in both strategy-constrained and starting-material-constrained synthesis tasks. Additionally, Synthelite exhibits the ability to account for chemical feasibility during route design. We envision Synthelite to be both a useful tool and a step toward a paradigm where LLMs are the central orchestrators of synthesis planning.

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a unified evaluation suite that standardizes heterogeneous model outputs into a common schema to enable statistically rigorous, apples-to-apples comparison. The framework includes a reproducible benchmarking pipeline with stratified sampling and bootstrapped confidence intervals, accompanied by SynthArena, an interactive platform for qualitative route inspection. We utilize this infrastructure to evaluate leading search-based and sequence-based algorithms on a new suite of standardized benchmarks. Our analysis reveals a divergence between "solvability" (stock-termination rate) and route quality; high solvability scores often mask chemical invalidity or fail to correlate with the reproduction of experimental ground truths. Furthermore, we identify a "complexity cliff" in which search-based methods, despite high solvability rates, exhibit a sharp performance decay in reconstructing long-range synthetic plans compared to sequence-based approaches. We release the full framework, benchmark definitions, and a standardized database of model predictions to support transparent and reproducible development in the field.

The task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science. However, its effectiveness is constrained by the vast and uncertain chemical reaction space and challenges in capturing reaction selectivity, particularly due to existing methods' limitations in exploiting the data's inherent knowledge. To address these challenges, we introduce a data-curated self-feedback knowledge elicitation approach. This method starts from iterative optimization of molecular representations and facilitates the extraction of knowledge on chemical reaction types (RTs). Then, we employ adaptive prompt learning to infuse the prior knowledge into the large language model (LLM). As a result, we achieve significant enhancements: a 14.2% increase in retrosynthesis prediction accuracy, a 74.2% rise in reagent prediction accuracy, and an expansion in the model's capability for handling multi-task chemical reactions. This research offers a novel paradigm for knowledge elicitation in scientific research and showcases the untapped potential of LLMs in CRPs.

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation across texts and graphs. To address this, we introduce Llamole, the first multimodal LLM capable of interleaved text and graph generation, enabling molecular inverse design with retrosynthetic planning. Llamole integrates a base LLM with the Graph Diffusion Transformer and Graph Neural Networks for multi-conditional molecular generation and reaction inference within texts, while the LLM, with enhanced molecular understanding, flexibly controls activation among the different graph modules. Additionally, Llamole integrates A* search with LLM-based cost functions for efficient retrosynthetic planning. We create benchmarking datasets and conduct extensive experiments to evaluate Llamole against in-context learning and supervised fine-tuning. Llamole significantly outperforms 14 adapted LLMs across 12 metrics for controllable molecular design and retrosynthetic planning.

Large Language Model (LLM) based agents have garnered significant attention and are becoming increasingly popular. Furthermore, planning ability is a crucial component of an LLM-based agent, involving interaction with the environment and executing actions to complete a planning task, which generally entails achieving a desired goal from an initial state. This paper investigates enhancing the planning abilities of LLMs through instruction tuning, referred to as agent training. Recent studies have demonstrated that utilizing expert-level trajectory for instruction-tuning LLMs effectively enhances their planning capabilities. However, existing work primarily focuses on synthesizing trajectories from manually designed planning tasks and environments. The labor-intensive nature of creating these environments and tasks impedes the generation of sufficiently varied and extensive trajectories. To address this limitation, this paper explores the automated synthesis of diverse environments and a gradual range of planning tasks, from easy to difficult. We introduce a framework, AgentGen, that leverages LLMs first to generate environments and subsequently generate planning tasks conditioned on these environments. Specifically, to improve environmental diversity, we propose using an inspiration corpus composed of various domain-specific text segments as the context for synthesizing environments. Moreover, to increase the difficulty diversity of generated planning tasks, we propose a bidirectional evolution method, Bi-Evol, that evolves planning tasks from easier and harder directions to synthesize a task set with a smoother difficulty curve. The evaluation results derived from AgentBoard show that AgentGen greatly improves LLMs' planning ability, e.g., the AgentGen instruction-tuned Llama-3 8B surpasses GPT-3.5 in overall performance. Moreover, in certain tasks, it even outperforms GPT-4.

Agents based on large language models (LLMs) have demonstrated effectiveness in solving a wide range of tasks by integrating LLMs with key modules such as planning, memory, and tool usage. Increasingly, customers are adopting LLM agents across a variety of commercial applications critical to reliability, including support for mental well-being, chemical synthesis, and software development. Nevertheless, our observations and daily use of LLM agents indicate that they are prone to making erroneous plans, especially when the tasks are complex and require long-term planning. In this paper, we propose PDoctor, a novel and automated approach to testing LLM agents and understanding their erroneous planning. As the first work in this direction, we formulate the detection of erroneous planning as a constraint satisfiability problem: an LLM agent's plan is considered erroneous if its execution violates the constraints derived from the user inputs. To this end, PDoctor first defines a domain-specific language (DSL) for user queries and synthesizes varying inputs with the assistance of the Z3 constraint solver. These synthesized inputs are natural language paragraphs that specify the requirements for completing a series of tasks. Then, PDoctor derives constraints from these requirements to form a testing oracle. We evaluate PDoctor with three mainstream agent frameworks and two powerful LLMs (GPT-3.5 and GPT-4). The results show that PDoctor can effectively detect diverse errors in agent planning and provide insights and error characteristics that are valuable to both agent developers and users. We conclude by discussing potential alternative designs and directions to extend PDoctor.

Deep research agents (DRAs) integrate LLM reasoning with external tools. Memory systems enable DRAs to leverage historical experiences, which are essential for efficient reasoning and autonomous evolution. Existing methods rely on retrieving similar trajectories from memory to aid reasoning, while suffering from key limitations of ineffective memory evolution and increasing storage and retrieval costs. To address these problems, we propose a novel Memory Intelligence Agent (MIA) framework, consisting of a Manager-Planner-Executor architecture. Memory Manager is a non-parametric memory system that can store compressed historical search trajectories. Planner is a parametric memory agent that can produce search plans for questions. Executor is another agent that can search and analyze information guided by the search plan. To build the MIA framework, we first adopt an alternating reinforcement learning paradigm to enhance cooperation between the Planner and the Executor. Furthermore, we enable the Planner to continuously evolve during test-time learning, with updates performed on-the-fly alongside inference without interrupting the reasoning process. Additionally, we establish a bidirectional conversion loop between parametric and non-parametric memories to achieve efficient memory evolution. Finally, we incorporate a reflection and an unsupervised judgment mechanisms to boost reasoning and self-evolution in the open world. Extensive experiments across eleven benchmarks demonstrate the superiority of MIA.

The evolution of large language models (LLMs) has enhanced the planning capabilities of language agents in diverse real-world scenarios. Despite these advancements, the potential of LLM-powered agents to comprehend ambiguous user instructions for reasoning and decision-making is still under exploration. In this work, we introduce a new task, Proactive Agent Planning, which requires language agents to predict clarification needs based on user-agent conversation and agent-environment interaction, invoke external tools to collect valid information, and generate a plan to fulfill the user's demands. To study this practical problem, we establish a new benchmark dataset, Ask-before-Plan. To tackle the deficiency of LLMs in proactive planning, we propose a novel multi-agent framework, Clarification-Execution-Planning (CEP), which consists of three agents specialized in clarification, execution, and planning. We introduce the trajectory tuning scheme for the clarification agent and static execution agent, as well as the memory recollection mechanism for the dynamic execution agent. Extensive evaluations and comprehensive analyses conducted on the Ask-before-Plan dataset validate the effectiveness of our proposed framework.

A fundamental problem in computational chemistry is to find a set of reactants to synthesize a target molecule, a.k.a. retrosynthesis prediction. Existing state-of-the-art methods rely on matching the target molecule with a large set of reaction templates, which are very computationally expensive and also suffer from the problem of coverage. In this paper, we propose a novel template-free approach called G2Gs by transforming a target molecular graph into a set of reactant molecular graphs. G2Gs first splits the target molecular graph into a set of synthons by identifying the reaction centers, and then translates the synthons to the final reactant graphs via a variational graph translation framework. Experimental results show that G2Gs significantly outperforms existing template-free approaches by up to 63% in terms of the top-1 accuracy and achieves a performance close to that of state-of-the-art template based approaches, but does not require domain knowledge and is much more scalable.

Chemical reaction prediction, involving forward synthesis and retrosynthesis prediction, is a fundamental problem in organic synthesis. A popular computational paradigm formulates synthesis prediction as a sequence-to-sequence translation problem, where the typical SMILES is adopted for molecule representations. However, the general-purpose SMILES neglects the characteristics of chemical reactions, where the molecular graph topology is largely unaltered from reactants to products, resulting in the suboptimal performance of SMILES if straightforwardly applied. In this article, we propose the root-aligned SMILES (R-SMILES), which specifies a tightly aligned one-to-one mapping between the product and the reactant SMILES for more efficient synthesis prediction. Due to the strict one-to-one mapping and reduced edit distance, the computational model is largely relieved from learning the complex syntax and dedicated to learning the chemical knowledge for reactions. We compare the proposed R-SMILES with various state-of-the-art baselines and show that it significantly outperforms them all, demonstrating the superiority of the proposed method.

Effective prompt design is essential for improving the planning capabilities of large language model (LLM)-driven agents. However, existing structured prompting strategies are typically limited to single-agent, plan-only settings, and often evaluate performance solely based on task accuracy - overlooking critical factors such as token efficiency, modularity, and scalability in multi-agent environments. To address these limitations, we introduce CodeAgents, a prompting framework that codifies multi-agent reasoning and enables structured, token-efficient planning in multi-agent systems. In CodeAgents, all components of agent interaction - Task, Plan, Feedback, system roles, and external tool invocations - are codified into modular pseudocode enriched with control structures (e.g., loops, conditionals), boolean logic, and typed variables. This design transforms loosely connected agent plans into cohesive, interpretable, and verifiable multi-agent reasoning programs. We evaluate the proposed framework across three diverse benchmarks - GAIA, HotpotQA, and VirtualHome - using a range of representative LLMs. Results show consistent improvements in planning performance, with absolute gains of 3-36 percentage points over natural language prompting baselines. On VirtualHome, our method achieves a new state-of-the-art success rate of 56%. In addition, our approach reduces input and output token usage by 55-87% and 41-70%, respectively, underscoring the importance of token-aware evaluation metrics in the development of scalable multi-agent LLM systems. The code and resources are available at: https://anonymous.4open.science/r/CodifyingAgent-5A86

Large language models (LLMs) have enabled powerful advances in natural language understanding and generation. Yet their application to complex, real-world scientific workflows remain limited by challenges in memory, planning, and tool integration. Here, we introduce SciBORG (Scientific Bespoke Artificial Intelligence Agents Optimized for Research Goals), a modular agentic framework that allows LLM-based agents to autonomously plan, reason, and achieve robust and reliable domain-specific task execution. Agents are constructed dynamically from source code documentation and augmented with finite-state automata (FSA) memory, enabling persistent state tracking and context-aware decision-making. This approach eliminates the need for manual prompt engineering and allows for robust, scalable deployment across diverse applications via maintaining context across extended workflows and to recover from tool or execution failures. We validate SciBORG through integration with both physical and virtual hardware, such as microwave synthesizers for executing user-specified reactions, with context-aware decision making and demonstrate its use in autonomous multi-step bioassay retrieval from the PubChem database utilizing multi-step planning, reasoning, agent-to-agent communication and coordination for execution of exploratory tasks. Systematic benchmarking shows that SciBORG agents achieve reliable execution, adaptive planning, and interpretable state transitions. Our results show that memory and state awareness are critical enablers of agentic planning and reliability, offering a generalizable foundation for deploying AI agents in complex environments.

Planning has been part of the core pursuit for artificial intelligence since its conception, but earlier AI agents mostly focused on constrained settings because many of the cognitive substrates necessary for human-level planning have been lacking. Recently, language agents powered by large language models (LLMs) have shown interesting capabilities such as tool use and reasoning. Are these language agents capable of planning in more complex settings that are out of the reach of prior AI agents? To advance this investigation, we propose TravelPlanner, a new planning benchmark that focuses on travel planning, a common real-world planning scenario. It provides a rich sandbox environment, various tools for accessing nearly four million data records, and 1,225 meticulously curated planning intents and reference plans. Comprehensive evaluations show that the current language agents are not yet capable of handling such complex planning tasks-even GPT-4 only achieves a success rate of 0.6%. Language agents struggle to stay on task, use the right tools to collect information, or keep track of multiple constraints. However, we note that the mere possibility for language agents to tackle such a complex problem is in itself non-trivial progress. TravelPlanner provides a challenging yet meaningful testbed for future language agents.

A key objective of embodied intelligence is enabling agents to perform long-horizon tasks in dynamic environments while maintaining robust decision-making and adaptability. To achieve this goal, we propose the Spatio-Temporal Memory Agent (STMA), a novel framework designed to enhance task planning and execution by integrating spatio-temporal memory. STMA is built upon three critical components: (1) a spatio-temporal memory module that captures historical and environmental changes in real time, (2) a dynamic knowledge graph that facilitates adaptive spatial reasoning, and (3) a planner-critic mechanism that iteratively refines task strategies. We evaluate STMA in the TextWorld environment on 32 tasks, involving multi-step planning and exploration under varying levels of complexity. Experimental results demonstrate that STMA achieves a 31.25% improvement in success rate and a 24.7% increase in average score compared to the state-of-the-art model. The results highlight the effectiveness of spatio-temporal memory in advancing the memory capabilities of embodied agents.

Large language models (LLMs) have shown remarkable advancements in enabling language agents to tackle simple tasks. However, applying them for complex, multi-step, long-horizon tasks remains a challenge. Recent work have found success by separating high-level planning from low-level execution, which enables the model to effectively balance high-level planning objectives and low-level execution details. However, generating accurate plans remains difficult since LLMs are not inherently trained for this task. To address this, we propose Plan-and-Act, a novel framework that incorporates explicit planning into LLM-based agents and introduces a scalable method to enhance plan generation through a novel synthetic data generation method. Plan-and-Act consists of a Planner model which generates structured, high-level plans to achieve user goals, and an Executor model that translates these plans into environment-specific actions. To train the Planner effectively, we introduce a synthetic data generation method that annotates ground-truth trajectories with feasible plans, augmented with diverse and extensive examples to enhance generalization. We evaluate Plan-and-Act using web navigation as a representative long-horizon planning environment, demonstrating a state-of the-art 54% success rate on the WebArena-Lite benchmark.

Reasoning in a complex and ambiguous environment is a key goal for Reinforcement Learning (RL) agents. While some sophisticated RL agents can successfully solve difficult tasks, they require a large amount of training data and often struggle to generalize to new unseen environments and new tasks. On the other hand, Large Scale Language Models (LSLMs) have exhibited strong reasoning ability and the ability to to adapt to new tasks through in-context learning. However, LSLMs do not inherently have the ability to interrogate or intervene on the environment. In this work, we investigate how to combine these complementary abilities in a single system consisting of three parts: a Planner, an Actor, and a Reporter. The Planner is a pre-trained language model that can issue commands to a simple embodied agent (the Actor), while the Reporter communicates with the Planner to inform its next command. We present a set of tasks that require reasoning, test this system's ability to generalize zero-shot and investigate failure cases, and demonstrate how components of this system can be trained with reinforcement-learning to improve performance.

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been rapidly applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper,we establish a comprehensive benchmark containing 8 practical chemistry tasks, including 1) name prediction, 2) property prediction, 3) yield prediction, 4) reaction prediction, 5) retrosynthesis (prediction of reactants from products), 6)text-based molecule design, 7) molecule captioning, and 8) reagent selection. Our analysis draws on widely recognized datasets including BBBP, Tox21, PubChem, USPTO, and ChEBI, facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Three GPT models (GPT-4, GPT-3.5,and Davinci-003) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. The key results of our investigation are 1) GPT-4 outperforms the other two models among the three evaluated; 2) GPT models exhibit less competitive performance in tasks demanding precise understanding of molecular SMILES representation, such as reaction prediction and retrosynthesis;3) GPT models demonstrate strong capabilities in text-related explanation tasks such as molecule captioning; and 4) GPT models exhibit comparable or better performance to classical machine learning models when applied to chemical problems that can be transformed into classification or ranking tasks, such as property prediction, and yield prediction.

The increasing adoption of Large Language Models (LLMs) has enabled AI scientists to perform complex end-to-end scientific discovery tasks requiring coordination of specialized roles, including idea generation and experimental execution. However, most state-of-the-art AI scientist systems rely on static, hand-designed pipelines and fail to adapt based on accumulated interaction histories. As a result, these systems overlook promising research directions, repeat failed experiments, and pursue infeasible ideas. To address this, we introduce EvoScientist, an evolving multi-agent AI scientist framework that continuously improves research strategies through persistent memory and self-evolution. EvoScientist comprises three specialized agents: a Researcher Agent (RA) for scientific idea generation, an Engineer Agent (EA) for experiment implementation and execution, and an Evolution Manager Agent (EMA) that distills insights from prior interactions into reusable knowledge. EvoScientist contains two persistent memory modules: (i) an ideation memory, which summarizes feasible research directions from top-ranked ideas while recording previously unsuccessful directions; and (ii) an experimentation memory, which captures effective data processing and model training strategies derived from code search trajectories and best-performing implementations. These modules enable the RA and EA to retrieve relevant prior strategies, improving idea quality and code execution success rates over time. Experiments show that EvoScientist outperforms 7 open-source and commercial state-of-the-art systems in scientific idea generation, achieving higher novelty, feasibility, relevance, and clarity via automatic and human evaluation. EvoScientist also substantially improves code execution success rates through multi-agent evolution, demonstrating persistent memory's effectiveness for end-to-end scientific discovery.

Recent advances in agent systems have demonstrated remarkable capabilities in solving both general-purpose and highly complex tasks. However, most current models lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. To this end, we introduce AgentOrchestra, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Drawing inspiration from a conductor orchestrating a symphony, and grounded in the principles of extensibility, multimodality, modularity, and coordination, it features a central planning agent that decomposes complex objectives and delegates sub-tasks to a team of specialized agents. Each sub-agent is equipped with general programming tools, as well as abilities to tackle a wide range of real-world specific tasks, including data analysis, file operations, web navigation, and interactive reasoning in dynamic multimodal environments. Notably, AgentOrchestra introduces an MCP Manager Agent that enables intelligent evolution through dynamic tool creation, retrieval, and reuse mechanisms, significantly enhancing the system's adaptability and scalability. AgentOrchestra supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmarks for assessing LLM-based agent systems. Experimental results show that AgentOrchestra consistently outperforms flat-agent and monolithic baselines in terms of task success rate and adaptability. On the GAIA benchmark testing dataset, AgentOrchestra achieves an average score of 83.39\%, ranking among the top general-purpose agents. These results highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

Vehicle motion planning is an essential component of autonomous driving technology. Current rule-based vehicle motion planning methods perform satisfactorily in common scenarios but struggle to generalize to long-tailed situations. Meanwhile, learning-based methods have yet to achieve superior performance over rule-based approaches in large-scale closed-loop scenarios. To address these issues, we propose PlanAgent, the first mid-to-mid planning system based on a Multi-modal Large Language Model (MLLM). MLLM is used as a cognitive agent to introduce human-like knowledge, interpretability, and common-sense reasoning into the closed-loop planning. Specifically, PlanAgent leverages the power of MLLM through three core modules. First, an Environment Transformation module constructs a Bird's Eye View (BEV) map and a lane-graph-based textual description from the environment as inputs. Second, a Reasoning Engine module introduces a hierarchical chain-of-thought from scene understanding to lateral and longitudinal motion instructions, culminating in planner code generation. Last, a Reflection module is integrated to simulate and evaluate the generated planner for reducing MLLM's uncertainty. PlanAgent is endowed with the common-sense reasoning and generalization capability of MLLM, which empowers it to effectively tackle both common and complex long-tailed scenarios. Our proposed PlanAgent is evaluated on the large-scale and challenging nuPlan benchmarks. A comprehensive set of experiments convincingly demonstrates that PlanAgent outperforms the existing state-of-the-art in the closed-loop motion planning task. Codes will be soon released.

Large Language Models are increasingly deployed as autonomous agents for complex real-world tasks, yet existing systems often focus on isolated improvements without a unifying design for robustness and adaptability. We propose a generalist agent architecture that integrates three core components: a collective multi-agent framework combining planning and execution agents with critic model voting, a hierarchical memory system spanning working, semantic, and procedural layers, and a refined tool suite for search, code execution, and multimodal parsing. Evaluated on a comprehensive benchmark, our framework consistently outperforms open-source baselines and approaches the performance of proprietary systems. These results demonstrate the importance of system-level integration and highlight a path toward scalable, resilient, and adaptive AI assistants capable of operating across diverse domains and tasks.

Traditional data processing pipelines are typically static and handcrafted for specific tasks, limiting their adaptability to evolving requirements. While general-purpose agents and coding assistants can generate code for well-understood data pipelines, they lack the ability to autonomously monitor, manage, and optimize an end-to-end pipeline once deployed. We present Autonomous Data Processing using Meta-agents (ADP-MA), a framework that dynamically constructs, executes, and iteratively refines data processing pipelines through hierarchical agent orchestration. At its core, meta-agents analyze input data and task specifications to design a multi-phase plan, instantiate specialized ground-level agents, and continuously evaluate pipeline performance. The architecture comprises three key components: a planning module for strategy generation, an orchestration layer for agent coordination and tool integration, and a monitoring loop for iterative evaluation and backtracking. Unlike conventional approaches, ADP-MA emphasizes context-aware optimization, adaptive workload partitioning, and progressive sampling for scalability. Additionally, the framework leverages a diverse set of external tools and can reuse previously designed agents, reducing redundancy and accelerating pipeline construction. We demonstrate ADP-MA through an interactive demo that showcases pipeline construction, execution monitoring, and adaptive refinement across representative data processing tasks.

Current AI agent frameworks commit early to a single interaction protocol, a fixed tool integration strategy, and static user models, limiting their deployment across diverse interaction paradigms. To address these constraints, we introduce STEM Agent (Self-adapting, Tool-enabled, Extensible, Multi-agent), a modular architecture inspired by biological pluripotency in which an undifferentiated agent core differentiates into specialized protocol handlers, tool bindings, and memory subsystems that compose into a fully functioning AI system. The framework unifies five interoperability protocols (A2A, AG-UI, A2UI, UCP, and AP2) behind a single gateway, introduces a Caller Profiler that continuously learns user preferences across more than twenty behavioral dimensions, externalizes all domain capabilities through the Model Context Protocol (MCP), and implements a biologically inspired skills acquisition system in which recurring interaction patterns crystallize into reusable agent skills through a maturation lifecycle analogous to cell differentiation. Complementing these capabilities, the memory system incorporates consolidation mechanisms, including episodic pruning, semantic deduplication, and pattern extraction, designed for sub-linear growth under sustained interaction. A comprehensive 413-test suite validates protocol handler behavior and component integration across all five architectural layers, completing in under three seconds.

Language Model (LM) agents have demonstrated remarkable capabilities in solving tasks that require multiple interactions with the environment. However, they remain vulnerable in environments where a single error often leads to irrecoverable failure, particularly under strict feasibility constraints. We systematically analyze existing agent frameworks, identifying imperfect planning and stochastic execution as the primary causes. To address these challenges, we propose Tool-guided Adaptive Planning with constrained Execution (TAPE). TAPE enhances planning capability by aggregating multiple plans into a graph and employing an external solver to identify a feasible path. During execution, TAPE employs constrained decoding to reduce sampling noise, while adaptively re-planning whenever environmental feedback deviates from the intended state. Experiments across Sokoban, ALFWorld, MuSiQue, and GSM8K-Hard demonstrate that TAPE consistently outperforms existing frameworks, with particularly large gains on hard settings, improving success rates by 21.0 percentage points on hard settings on average, and by 20.0 percentage points for weaker base models on average. Code and data available at here.

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the gap between high-level research concepts and their practical implementation, allowing researchers auto-generating code of existing research papers for benchmarking or building on top-of existing methods specified in the literature with availability of partial or complete starter code. ResearchCodeAgent employs a flexible agent architecture with a comprehensive action suite, enabling context-aware interactions with the research environment. The system incorporates a dynamic planning mechanism, utilizing both short and long-term memory to adapt its approach iteratively. We evaluate ResearchCodeAgent on three distinct machine learning tasks with distinct task complexity and representing different parts of the ML pipeline: data augmentation, optimization, and data batching. Our results demonstrate the system's effectiveness and generalizability, with 46.9% of generated code being high-quality and error-free, and 25% showing performance improvements over baseline implementations. Empirical analysis shows an average reduction of 57.9% in coding time compared to manual implementation. We observe higher gains for more complex tasks. ResearchCodeAgent represents a significant step towards automating the research implementation process, potentially accelerating the pace of machine learning research.

AI agents have become increasingly significant in various domains, enabling autonomous decision-making and problem-solving. To function effectively, these agents require a planning process that determines the best course of action and then executes the planned actions. In this paper, we present an efficient on-device Planner-Action framework that separates planning and action execution into two distinct components: a planner agent based on Phi-3 Mini, a 3.8 billion parameter LLM optimized for edge devices, and an action agent using the Octopus model for function execution. The planner agent first responds to user queries by decomposing tasks into a sequence of sub-steps, which are then executed by the action agent. To optimize performance on resource-constrained devices, we employ model fine-tuning instead of in-context learning, reducing computational costs and energy consumption while improving response times. Our approach involves using GPT-4 to generate diverse planning queries and responses based on available functions, with subsequent validations to ensure data quality. We fine-tune the Phi-3 Mini model on this curated dataset, achieving a 97\% success rate in our in-domain test environment. To address multi-domain planning challenges, we developed a multi-LoRA training method that merges weights from LoRAs trained on distinct function subsets. This approach enables flexible handling of complex, multi-domain queries while maintaining computational efficiency on resource-constrained devices. To support further research, we have open-sourced our model weights at https://huggingface.co/NexaAIDev/octopus-planning. For the demo, please refer to https://www.nexa4ai.com/octo-planner.

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized context of pharmaceutical research. This limitation prevents practitioners from making full use of the latest AI developments in drug discovery. To address this challenge, we introduce DrugAgent, a multi-agent framework that automates machine learning (ML) programming for drug discovery tasks. DrugAgent employs an LLM Planner that formulates high-level ideas and an LLM Instructor that identifies and integrates domain knowledge when implementing those ideas. We present case studies on three representative drug discovery tasks. Our results show that DrugAgent consistently outperforms leading baselines, including a relative improvement of 4.92% in ROC-AUC compared to ReAct for drug-target interaction (DTI). DrugAgent is publicly available at https://anonymous.4open.science/r/drugagent-5C42/.

Recent agent frameworks and inference-time algorithms often struggle with complex planning problems due to limitations in verifying generated plans or reasoning and varying complexity of instances within a single task. Many existing methods for these tasks either perform task-level verification without considering constraints or apply inference-time algorithms without adapting to instance-level complexity. To address these limitations, we propose PlanGEN, a model-agnostic and easily scalable agent framework with three key components: constraint, verification, and selection agents. Specifically, our approach proposes constraint-guided iterative verification to enhance performance of inference-time algorithms--Best of N, Tree-of-Thought, and REBASE. In PlanGEN framework, the selection agent optimizes algorithm choice based on instance complexity, ensuring better adaptability to complex planning problems. Experimental results demonstrate significant improvements over the strongest baseline across multiple benchmarks, achieving state-of-the-art results on NATURAL PLAN (sim8%uparrow), OlympiadBench (sim4%uparrow), DocFinQA (sim7%uparrow), and GPQA (sim1%uparrow). Our key finding highlights that constraint-guided iterative verification improves inference-time algorithms, and adaptive selection further boosts performance on complex planning and reasoning problems.

Intelligent agent systems based on Large Language Models (LLMs) have shown great potential in real-world applications. However, existing agent frameworks still face critical limitations in task planning and execution, restricting their effectiveness and generalizability. Specifically, current planning methods often lack clear global goals, leading agents to get stuck in local branches, or produce non-executable plans. Meanwhile, existing execution mechanisms struggle to balance complexity and stability, and their limited action space restricts their ability to handle diverse real-world tasks. To address these limitations, we propose GoalAct, a novel agent framework that introduces a continuously updated global planning mechanism and integrates a hierarchical execution strategy. GoalAct decomposes task execution into high-level skills, including searching, coding, writing and more, thereby reducing planning complexity while enhancing the agents' adaptability across diverse task scenarios. We evaluate GoalAct on LegalAgentBench, a benchmark with multiple types of legal tasks that require the use of multiple types of tools. Experimental results demonstrate that GoalAct achieves state-of-the-art (SOTA) performance, with an average improvement of 12.22% in success rate. These findings highlight GoalAct's potential to drive the development of more advanced intelligent agent systems, making them more effective across complex real-world applications. Our code can be found at https://github.com/cjj826/GoalAct.

Recent advancements in Multi-Agent Systems (MAS) powered by Large Language Models (LLMs) have demonstrated tremendous potential in diverse task scenarios. Nonetheless, existing agentic systems typically rely on predefined agent-role design spaces and static communication structures, limiting their adaptability as well as flexibility in complex interaction environments and leading to subpar performance on highly specialized and expert-level tasks. To address these issues, we introduce HALO, a multi-agent collaboration framework based on a hierarchical reasoning architecture. Specifically, we incorporate a high-level planning agent for task decomposition, mid-level role-design agents for subtask-specific agent instantiation, and low-level inference agents for subtask execution. Particularly, subtask execution is reformulated as a structured workflow search problem, where Monte Carlo Tree Search (MCTS) systematically explores the agentic action space to construct optimal reasoning trajectories. Additionally, as the majority of users lack expertise in prompt engineering, we leverage an Adaptive Prompt Refinement module to transform raw queries into task-specific prompts. Empirical evaluations on Code Generation (HumanEval), General Reasoning (MMLU), and Arithmetic Reasoning (MATH) benchmark datasets highlight the effectiveness of HALO, yielding a 14.4% average improvement over state-of-the-art baselines. Notably, HALO achieves up to 13.3% performance gain on the Moral Scenarios subject in the MMLU benchmark and up to 19.6% performance gain on the Algebra subarea in the MATH benchmark, indicating its advanced proficiency in tackling highly specialized and expert-level tasks. The code repository is available at https://github.com/23japhone/HALO.

Language agents have achieved considerable performance on various complex tasks. Despite the incessant exploration in this field, existing language agent systems still struggle with costly, non-reproducible data reliance and face the challenge of compelling a single model for multiple functions. To this end, we introduce AutoAct, an automatic agent learning framework that does not rely on large-scale annotated data and synthetic trajectories from closed-source models (e.g., GPT-4). Given limited data with a tool library, AutoAct first automatically synthesizes planning trajectories without any assistance from humans or strong closed-source models. Then, AutoAct leverages a division-of-labor strategy to automatically differentiate based on the target task information and synthesized trajectories, producing a sub-agent group to complete the task. We conduct comprehensive experiments with different LLMs, which demonstrates that AutoAct yields better or parallel performance compared to various strong baselines. We even notice that AutoAct, when using the Llama-2-13b model, can achieve performance comparable to that of the GPT-3.5-Turbo agent. Code will be available at https://github.com/zjunlp/AutoAct.

In the endeavor to make autonomous robots take actions, task planning is a major challenge that requires translating high-level task descriptions into long-horizon action sequences. Despite recent advances in language model agents, they remain prone to planning errors and limited in their ability to plan ahead. To address these limitations in robotic planning, we advocate a self-refining scheme that iteratively refines a draft plan until an equilibrium is reached. Remarkably, this process can be optimized end-to-end from an analytical perspective without the need to curate additional verifiers or reward models, allowing us to train self-refining planners in a simple supervised learning fashion. Meanwhile, a nested equilibrium sequence modeling procedure is devised for efficient closed-loop planning that incorporates useful feedback from the environment (or an internal world model). Our method is evaluated on the VirtualHome-Env benchmark, showing advanced performance with better scaling for inference computation. Code is available at https://github.com/Singularity0104/equilibrium-planner.

Autonomous agents for Graphical User Interfaces (GUIs) face significant challenges in specialized domains such as scientific computing, where both long-horizon planning and precise execution are required. Existing approaches suffer from a trade-off: generalist agents excel at planning but perform poorly in execution, while specialized agents demonstrate the opposite weakness. Recent compositional frameworks attempt to bridge this gap by combining a planner and an actor, but they are typically static and non-trainable, which prevents adaptation from experience. This is a critical limitation given the scarcity of high-quality data in scientific domains. To address these limitations, we introduce CODA, a novel and trainable compositional framework that integrates a generalist planner (Cerebrum) with a specialist executor (Cerebellum), trained via a dedicated two-stage pipeline. In the first stage, Specialization, we apply a decoupled GRPO approach to train an expert planner for each scientific application individually, bootstrapping from a small set of task trajectories. In the second stage, Generalization, we aggregate all successful trajectories from the specialized experts to build a consolidated dataset, which is then used for supervised fine-tuning of the final planner. This equips CODA with both robust execution and cross-domain generalization. Evaluated on four challenging applications from the ScienceBoard benchmark, CODA significantly outperforms baselines and establishes a new state of the art among open-source models.

Recent advances in multimodal agents have improved computer-use interaction and tool-usage, yet most existing systems remain reactive, optimizing actions in isolation without reasoning about future states or long-term goals. This limits planning coherence and prevents agents from reliably solving high-level, multi-step tasks. We introduce TraceR1, a two-stage reinforcement learning framework that explicitly trains anticipatory reasoning by forecasting short-horizon trajectories before execution. The first stage performs trajectory-level reinforcement learning with rewards that enforce global consistency across predicted action sequences. The second stage applies grounded reinforcement fine-tuning, using execution feedback from frozen tool agents to refine step-level accuracy and executability. TraceR1 is evaluated across seven benchmarks, covering online computer-use, offline computer-use benchmarks, and multimodal tool-use reasoning tasks, where it achieves substantial improvements in planning stability, execution robustness, and generalization over reactive and single-stage baselines. These results show that anticipatory trajectory reasoning is a key principle for building multimodal agents that can reason, plan, and act effectively in complex real-world environments.

Autonomous planning has been an ongoing pursuit since the inception of artificial intelligence. Based on curated problem solvers, early planning agents could deliver precise solutions for specific tasks but lacked generalization. The emergence of large language models (LLMs) and their powerful reasoning capabilities has reignited interest in autonomous planning by automatically generating reasonable solutions for given tasks. However, prior research and our experiments show that current language agents still lack human-level planning abilities. Even the state-of-the-art reasoning model, OpenAI o1, achieves only 15.6% on one of the complex real-world planning benchmarks. This highlights a critical question: What hinders language agents from achieving human-level planning? Although existing studies have highlighted weak performance in agent planning, the deeper underlying issues and the mechanisms and limitations of the strategies proposed to address them remain insufficiently understood. In this work, we apply the feature attribution study and identify two key factors that hinder agent planning: the limited role of constraints and the diminishing influence of questions. We also find that although current strategies help mitigate these challenges, they do not fully resolve them, indicating that agents still have a long way to go before reaching human-level intelligence.

Large language models (LLMs) have recently demonstrated the potential in acting as autonomous agents for sequential decision-making tasks. However, most existing methods either take actions greedily without planning or rely on static plans that are not adaptable to environmental feedback. Consequently, the sequential decision-making performance of LLM agents degenerates with problem complexity and plan horizons increase. We propose a closed-loop approach, AdaPlanner, which allows the LLM agent to refine its self-generated plan adaptively in response to environmental feedback. In AdaPlanner, the LLM agent adaptively refines its plan from feedback with both in-plan and out-of-plan refinement strategies. To mitigate hallucination, we develop a code-style LLM prompt structure that facilitates plan generation across a variety of tasks, environments, and agent capabilities. Furthermore, we propose a skill discovery mechanism that leverages successful plans as few-shot exemplars, enabling the agent to plan and refine with fewer task demonstrations. Our experiments in the ALFWorld and MiniWoB++ environments demonstrate that AdaPlanner outperforms state-of-the-art baselines by 3.73% and 4.11% while utilizing 2x and 600x fewer samples, respectively.

The emergence of tool-calling-based agent systems introduces a more evidence-driven paradigm for pathology image analysis in contrast to the coarse-grained text-image diagnostic approaches. With the recent large-scale experimental adoption of spatial transcriptomics technologies, molecularly validated pathological diagnosis is becoming increasingly open and accessible. In this work, we propose LAMMI-Pathology (LVLM-Agent System for Molecularly Informed Medical Intelligence in Pathology), a scalable agent framework for domain-specific agent tool-calling. LAMMI-Pathology adopts a tool-centric, bottom-up architecture in which customized domain-adaptive tools serve as the foundation. These tools are clustered by domain style to form component agents, which are then coordinated through a top-level planner hierarchically, avoiding excessively long context lengths that could induce task drift. Based on that, we introduce a novel trajectory construction mechanism based on Atomic Execution Nodes (AENs), which serve as reliable and composable units for building semi-simulated reasoning trajectories that capture credible agent-tool interactions. Building on this foundation, we develop a trajectory-aware fine-tuning strategy that aligns the planner's decision-making process with these multi-step reasoning trajectories, thereby enhancing inference robustness in pathology understanding and its adaptive use of the customized toolset.

This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task DAG (HTDAG) framework, which dynamically decomposes high-level objectives into manageable sub-tasks while rigorously maintaining dependencies and execution coherence. Deep Agent advances beyond traditional agent systems through three key innovations: First, it implements a recursive two-stage planner-executor architecture that enables continuous task refinement and adaptation as circumstances change. Second, it features an Autonomous API & Tool Creation (AATC) system that automatically generates reusable components from UI interactions, substantially reducing operational costs for similar tasks. Third, it incorporates Prompt Tweaking Engine and Autonomous Prompt Feedback Learning components that optimize Large Language Model prompts for specific scenarios, enhancing both inference accuracy and operational stability. These components are integrated to form a service infrastructure that manages user contexts, handles complex task dependencies, and orchestrates end-to-end agentic workflow execution. Through this sophisticated architecture, Deep Agent establishes a novel paradigm in self-governing AI systems, demonstrating robust capability to independently handle intricate, multi-step tasks while maintaining consistent efficiency and reliability through continuous self-optimization.

Training large language models (LLMs) to reason via reinforcement learning (RL) significantly improves their problem-solving capabilities. In agentic settings, existing methods like ReAct prompt LLMs to explicitly plan before every action; however, we demonstrate that always planning is computationally expensive and degrades performance on long-horizon tasks, while never planning further limits performance. To address this, we introduce a conceptual framework formalizing dynamic planning for LLM agents, enabling them to flexibly decide when to allocate test-time compute for planning. We propose a simple two-stage training pipeline: (1) supervised fine-tuning on diverse synthetic data to prime models for dynamic planning, and (2) RL to refine this capability in long-horizon environments. Experiments on the Crafter environment show that dynamic planning agents trained with this approach are more sample-efficient and consistently achieve more complex objectives. Additionally, we demonstrate that these agents can be effectively steered by human-written plans, surpassing their independent capabilities. To our knowledge, this work is the first to explore training LLM agents for dynamic test-time compute allocation in sequential decision-making tasks, paving the way for more efficient, adaptive, and controllable agentic systems.

The growing capabilities of large language models (LLMs) in instruction-following and context-understanding lead to the era of agents with numerous applications. Among these, task planning agents have become especially prominent in realistic scenarios involving complex internal pipelines, such as context understanding, tool management, and response generation. However, existing benchmarks predominantly evaluate agent performance based on task completion as a proxy for overall effectiveness. We hypothesize that merely improving task completion is misaligned with maximizing user satisfaction, as users interact with the entire agentic process and not only the end result. To address this gap, we propose PIPA, a unified evaluation protocol that conceptualizes the behavioral process of interactive task planning agents within a partially observable Markov Decision Process (POMDP) paradigm. The proposed protocol offers a comprehensive assessment of agent performance through a set of atomic evaluation criteria, allowing researchers and practitioners to diagnose specific strengths and weaknesses within the agent's decision-making pipeline. Our analyses show that agents excel in different behavioral stages, with user satisfaction shaped by both outcomes and intermediate behaviors. We also highlight future directions, including systems that leverage multiple agents and the limitations of user simulators in task planning.

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic heuristic generation, redundant evaluations, and limited reasoning about how new heuristics should be derived. We propose a novel multi-agent reasoning framework, referred to as Planning through World Model for Automated Heuristic Design via Self-Evolving LLMs (PathWise), which formulates heuristic generation as a sequential decision process over an entailment graph serving as a compact, stateful memory of the search trajectory. This approach allows the system to carry forward past decisions and reuse or avoid derivation information across generations. A policy agent plans evolutionary actions, a world model agent generates heuristic rollouts conditioned on those actions, and critic agents provide routed reflections summarizing lessons from prior steps, shifting LLM-based AHD from trial-and-error evolution toward state-aware planning through reasoning. Experiments across diverse COPs show that PathWise converges faster to better heuristics, generalizes across different LLM backbones, and scales to larger problem sizes.

Recent advances have shown the effectiveness of self-evolving LLM agents on tasks such as program repair and scientific discovery. In this paradigm, a planner LLM synthesizes an agent program that invokes parametric models, including LLMs, which are then tuned per task to improve performance. However, existing self-evolving agent frameworks provide no formal guarantees of safety or correctness. Because such programs are often executed autonomously on unseen inputs, this lack of guarantees raises reliability and security concerns. We formulate agentic code generation as a constrained learning problem, combining hard formal specifications with soft objectives capturing task utility. We introduce Formally Guarded Generative Models (FGGM), which allow the planner LLM to specify a formal output contract for each generative model call using first-order logic. Each FGGM call wraps the underlying model in a rejection sampler with a verified fallback, ensuring every returned output satisfies the contract for any input and parameter setting. Building on FGGM, we present SEVerA (Self-Evolving Verified Agents), a three-stage framework: Search synthesizes candidate parametric programs containing FGGM calls; Verification proves correctness with respect to hard constraints for all parameter values, reducing the problem to unconstrained learning; and Learning applies scalable gradient-based optimization, including GRPO-style fine-tuning, to improve the soft objective while preserving correctness. We evaluate SEVerA on Dafny program verification, symbolic math synthesis, and policy-compliant agentic tool use (τ^2-bench). Across tasks, SEVerA achieves zero constraint violations while improving performance over unconstrained and SOTA baselines, showing that formal behavioral constraints not only guarantee correctness but also steer synthesis toward higher-quality agents.

Modern scientific research relies on large-scale data, complex workflows, and specialized tools, which existing LLMs and tool-based agents struggle to handle due to limitations in long-horizon planning, robust goal maintenance, and continual learning from execution. To address these issues, in this work, we propose S1-NexusAgent, a self-evolving agent framework designed for multidisciplinary scientific research. S1-NexusAgent adopts a hierarchical Plan-and-CodeAct execution paradigm, decoupling global scientific planning from subtask-level tool execution through a dual-loop architecture, thereby enabling stable modeling of complex research workflows. The system natively supports the Model Context Protocol (MCP), integrates up to thousands of cross-disciplinary scientific tools, and achieves efficient orchestration of heterogeneous research tools via intention-aware dynamic tool retrieval and hot-plug mechanisms. To address long-context and large-scale data challenges in scientific settings, S1-NexusAgent introduces object-reference-based sparse context management, which enables sub-task context isolation and intermediate result compression. Building on this, a Critic Agent automatically evaluates complete execution trajectories and distills high-quality research paths into reusable Scientific Skills, forming a closed loop for continuous self-evolution, which is valuable for sustainable and long-horizon scientific research. Experiments on authoritative scientific benchmarks involving long-horizon planning and complex specialized tool orchestration, including biomini-eval (biology), ChemBench (chemistry), and MatSciBench (material science), demonstrate that S1-NexusAgent achieves state-of-the-art performance, validating its effectiveness and generalization capability in complex scientific tasks.

Software development is a complex, multi-phase process traditionally requiring collaboration among individuals with diverse expertise. We propose AgentMesh, a Python-based framework that uses multiple cooperating LLM-powered agents to automate software development tasks. In AgentMesh, specialized agents - a Planner, Coder, Debugger, and Reviewer - work in concert to transform a high-level requirement into fully realized code. The Planner agent first decomposes user requests into concrete subtasks; the Coder agent implements each subtask in code; the Debugger agent tests and fixes the code; and the Reviewer agent validates the final output for correctness and quality. We describe the architecture and design of these agents and their communication, and provide implementation details including prompt strategies and workflow orchestration. A case study illustrates AgentMesh handling a non-trivial development request via sequential task planning, code generation, iterative debugging, and final code review. We discuss how dividing responsibilities among cooperative agents leverages the strengths of large language models while mitigating single-agent limitations. Finally, we examine current limitations - such as error propagation and context scaling - and outline future work toward more robust, scalable multi-agent AI systems for software engineering automation.

Language agents have demonstrated autonomous decision-making abilities by reasoning with foundation models. Recently, efforts have been made to train language agents for performance improvement, with multi-step reasoning and action trajectories as the training data. However, collecting such trajectories still requires considerable human effort, by either artificial annotation or implementations of diverse prompting frameworks. In this work, we propose A^3T, a framework that enables the Autonomous Annotation of Agent Trajectories in the style of ReAct. The central role is an ActRe prompting agent, which explains the reason for an arbitrary action. When randomly sampling an external action, the ReAct-style agent could query the ActRe agent with the action to obtain its textual rationales. Novel trajectories are then synthesized by prepending the posterior reasoning from ActRe to the sampled action. In this way, the ReAct-style agent executes multiple trajectories for the failed tasks, and selects the successful ones to supplement its failed trajectory for contrastive self-training. Realized by policy gradient methods with binarized rewards, the contrastive self-training with accumulated trajectories facilitates a closed loop for multiple rounds of language agent self-improvement. We conduct experiments using QLoRA fine-tuning with the open-sourced Mistral-7B-Instruct-v0.2. In AlfWorld, the agent trained with A^3T obtains a 1-shot success rate of 96%, and 100% success with 4 iterative rounds. In WebShop, the 1-shot performance of the A^3T agent matches human average, and 4 rounds of iterative refinement lead to the performance approaching human experts. A^3T agents significantly outperform existing techniques, including prompting with GPT-4, advanced agent frameworks, and fully fine-tuned LLMs.

Large Language Models (LLMs) have shown remarkable advancements in tackling agent-oriented tasks. Despite their potential, existing work faces challenges when deploying LLMs in agent-based environments. The widely adopted agent paradigm ReAct centers on integrating single-step reasoning with immediate action execution, which limits its effectiveness in complex tasks requiring long-term strategic planning. Furthermore, the coordination between the planner and executor during problem-solving is also a critical factor to consider in agent design. Additionally, current approaches predominantly rely on supervised fine-tuning, which often leads models to memorize established task completion trajectories, thereby restricting their generalization ability when confronted with novel problem contexts. To address these challenges, we introduce an adaptive global plan-based agent paradigm AdaPlan, aiming to synergize high-level explicit guidance with execution to support effective long-horizon decision-making. Based on the proposed paradigm, we further put forward PilotRL, a global planning-guided training framework for LLM agents driven by progressive reinforcement learning. We first develop the model's ability to follow explicit guidance from global plans when addressing agent tasks. Subsequently, based on this foundation, we focus on optimizing the quality of generated plans. Finally, we conduct joint optimization of the model's planning and execution coordination. Experiments indicate that PilotRL could achieve state-of-the-art performances, with LLaMA3.1-8B-Instruct + PilotRL surpassing closed-sourced GPT-4o by 3.60%, while showing a more substantial gain of 55.78% comparing to GPT-4o-mini at a comparable parameter scale.

While scaling test-time compute through trajectory-level sampling has significantly improved Graphical User Interface (GUI) agents, the lack of regressive ability prevents the reuse of partial successes and the recovery from early missteps. In this paper, we introduce Agent Alpha, a unified framework that synergizes generation, exploration, and evaluation through step-level Monte Carlo Tree Search (MCTS). It enables active modeling or exploiting structures of the planning space. By integrating alpha-UCT guided search into the interaction loop, Agent Alpha enables deliberate planning, facilitating early pruning of suboptimal branches and efficient prefix reuse. We also employ comparison-driven evaluation to mitigate absolute scoring biases and diversity-constrained expansion to maintain a compact, informative search space. Regret bound of alpha-UCT is analyzed. On the OSWorld benchmark, Agent Alpha achieves a state-of-the-art success rate of sim 77%, significantly outperforming trajectory-level baselines under equivalent compute.

The evolution of Large Language Models (LLMs) from passive text processors to autonomous agents has established planning as a core component of modern intelligence. However, achieving generalized planning remains elusive, not only by the scarcity of high-quality interaction data but also by inherent conflicts across heterogeneous planning tasks. These challenges result in models that excel at isolated tasks yet struggle to generalize, while existing multi-task training attempts suffer from gradient interference. In this paper, we present MagicAgent, a series of foundation models specifically designed for generalized agent planning. We introduce a lightweight and scalable synthetic data framework that generates high-quality trajectories across diverse planning tasks, including hierarchical task decomposition, tool-augmented planning, multi-constraint scheduling, procedural logic orchestration, and long-horizon tool execution. To mitigate training conflicts, we propose a two-stage training paradigm comprising supervised fine-tuning followed by multi-objective reinforcement learning over both static datasets and dynamic environments. Empirical results show that MagicAgent-32B and MagicAgent-30B-A3B achieve superior performance across diverse open-source benchmarks (e.g., 75.1% on Worfbench and 86.9% on BFCL-v3), as well as strong results on our in-house MagicEval benchmarks, substantially outperforming existing sub-100B models and surpassing leading ultra-scale models, including GPT-5.2, Kimi-K2 and GLM-4.7.

Addressing the discrepancies between predictions and actual outcomes often aids individuals in expanding their thought processes and engaging in reflection, thereby facilitating reasoning in the correct direction. In this paper, we introduce PreAct, an agent framework that integrates prediction with reasoning and action. Leveraging the information provided by predictions, a large language model (LLM) based agent can offer more diversified and strategically oriented reasoning, which in turn leads to more effective actions that help the agent complete complex tasks. Our experiments demonstrate that PreAct outperforms the ReAct approach in accomplishing complex tasks and that PreAct can be co-enhanced when combined with Reflexion methods. We prompt the model with different numbers of historical predictions and find that historical predictions have a sustained positive effect on LLM planning. The differences in single-step reasoning between PreAct and ReAct show that PreAct indeed offers advantages in terms of diversity and strategic directivity over ReAct.

Developing autonomous agents for web-based tasks is a core challenge in AI. While Large Language Model (LLM) agents can interpret complex user requests, they often operate as black boxes, making it difficult to diagnose why they fail or how they plan. This paper addresses this gap by formally treating web tasks as sequential decision-making processes. We introduce a taxonomy that maps modern agent architectures to traditional planning paradigms: Step-by-Step agents to Breadth-First Search (BFS), Tree Search agents to Best-First Tree Search, and Full-Plan-in-Advance agents to Depth-First Search (DFS). This framework allows for a principled diagnosis of system failures like context drift and incoherent task decomposition. To evaluate these behaviors, we propose five novel evaluation metrics that assess trajectory quality beyond simple success rates. We support this analysis with a new dataset of 794 human-labeled trajectories from the WebArena benchmark. Finally, we validate our evaluation framework by comparing a baseline Step-by-Step agent against a novel Full-Plan-in-Advance implementation. Our results reveal that while the Step-by-Step agent aligns more closely with human gold trajectories (38% overall success), the Full-Plan-in-Advance agent excels in technical measures such as element accuracy (89%), demonstrating the necessity of our proposed metrics for selecting appropriate agent architectures based on specific application constraints.

Large language models (LLMs) increasingly rely on multi-turn tool-integrated planning for knowledge-intensive and complex reasoning tasks. Existing implementations typically rely on a single agent, but they suffer from limited context length and noisy tool responses. A natural solution is to adopt a multi-agent framework with planner- and worker-agents to manage context. However, no existing methods support effective reinforcement learning post-training of tool-integrated multi-agent frameworks. To address this gap, we propose Multi-Agent Tool-Integrated Policy Optimization (MATPO), which enables distinct roles (planner and worker) to be trained within a single LLM instance using role-specific prompts via reinforcement learning. MATPO is derived from a principled credit assignment mechanism across planner and worker rollouts. This design eliminates the need to deploy multiple LLMs, which would be memory-intensive, while preserving the benefits of specialization. Experiments on GAIA-text, WebWalkerQA, and FRAMES show that MATPO consistently outperforms single-agent baselines by an average of 18.38% relative improvement in performance and exhibits greater robustness to noisy tool outputs. Our findings highlight the effectiveness of unifying multiple agent roles within a single LLM and provide practical insights for stable and efficient multi-agent RL training.

Recent advances in large language models (LLMs) allow agents to represent actions as executable code, offering greater expressivity than traditional tool-calling. However, real-world tasks often demand both strategic planning and detailed implementation. Using a single agent for both leads to context pollution from debugging traces and intermediate failures, impairing long-horizon performance. We propose CodeDelegator, a multi-agent framework that separates planning from implementation via role specialization. A persistent Delegator maintains strategic oversight by decomposing tasks, writing specifications, and monitoring progress without executing code. For each sub-task, a new Coder agent is instantiated with a clean context containing only its specification, shielding it from prior failures. To coordinate between agents, we introduce Ephemeral-Persistent State Separation (EPSS), which isolates each Coder's execution state while preserving global coherence, preventing debugging traces from polluting the Delegator's context. Experiments on various benchmarks demonstrate the effectiveness of CodeDelegator across diverse scenarios.

Large Language Models (LLMs) have been the subject of active research, significantly advancing the field of Natural Language Processing (NLP). From BERT to BLOOM, LLMs have surpassed state-of-the-art results in various natural language tasks such as question answering, summarization, and text generation. Many ongoing efforts focus on understanding LLMs' capabilities, including their knowledge of the world, syntax, and semantics. However, extending the textual prowess of LLMs to symbolic reasoning has been slow and predominantly focused on tackling problems related to the mathematical field. In this paper, we explore the use of LLMs for automated planning - a branch of AI concerned with the realization of action sequences (plans) to achieve a goal, typically executed by intelligent agents, autonomous robots, and unmanned vehicles. We introduce Plansformer; an LLM fine-tuned on planning problems and capable of generating plans with favorable behavior in terms of correctness and length with reduced knowledge-engineering efforts. We also demonstrate the adaptability of Plansformer in solving different planning domains with varying complexities, owing to the transfer learning abilities of LLMs. For one configuration of Plansformer, we achieve ~97% valid plans, out of which ~95% are optimal for Towers of Hanoi - a puzzle-solving domain.

While existing multi-agent systems (MAS) can handle complex problems by enabling collaboration among multiple agents, they are often highly task-specific, relying on manually crafted agent roles and interaction prompts, which leads to increased architectural complexity and limited reusability across tasks. Moreover, most MAS communicate primarily through natural language, making them vulnerable to error accumulation and instability in long-context, multi-stage interactions within internal agent histories. In this work, we propose Agent Primitives, a set of reusable latent building blocks for LLM-based MAS. Inspired by neural network design, where complex models are built from reusable components, we observe that many existing MAS architectures can be decomposed into a small number of recurring internal computation patterns. Based on this observation, we instantiate three primitives: Review, Voting and Selection, and Planning and Execution. All primitives communicate internally via key-value (KV) cache, which improves both robustness and efficiency by mitigating information degradation across multi-stage interactions. To enable automatic system construction, an Organizer agent selects and composes primitives for each query, guided by a lightweight knowledge pool of previously successful configurations, forming a primitive-based MAS. Experiments show that primitives-based MAS improve average accuracy by 12.0-16.5\% over single-agent baselines, reduce token usage and inference latency by approximately 3times-4times compared to text-based MAS, while incurring only 1.3times-1.6times overhead relative to single-agent inference and providing more stable performance across model backbones.

We introduce TAPAS (Task-based Adaptation and Planning using AgentS), a multi-agent framework that integrates Large Language Models (LLMs) with symbolic planning to solve complex tasks without the need for manually defined environment models. TAPAS employs specialized LLM-based agents that collaboratively generate and adapt domain models, initial states, and goal specifications as needed using structured tool-calling mechanisms. Through this tool-based interaction, downstream agents can request modifications from upstream agents, enabling adaptation to novel attributes and constraints without manual domain redefinition. A ReAct (Reason+Act)-style execution agent, coupled with natural language plan translation, bridges the gap between dynamically generated plans and real-world robot capabilities. TAPAS demonstrates strong performance in benchmark planning domains and in the VirtualHome simulated real-world environment.

Existing Large Language Model (LLM) agents struggle in interactive environments requiring long-horizon planning, primarily due to compounding errors when simulating future states. To address this, we propose ProAct, a framework that enables agents to internalize accurate lookahead reasoning through a two-stage training paradigm. First, we introduce Grounded LookAhead Distillation (GLAD), where the agent undergoes supervised fine-tuning on trajectories derived from environment-based search. By compressing complex search trees into concise, causal reasoning chains, the agent learns the logic of foresight without the computational overhead of inference-time search. Second, to further refine decision accuracy, we propose the Monte-Carlo Critic (MC-Critic), a plug-and-play auxiliary value estimator designed to enhance policy-gradient algorithms like PPO and GRPO. By leveraging lightweight environment rollouts to calibrate value estimates, MC-Critic provides a low-variance signal that facilitates stable policy optimization without relying on expensive model-based value approximation. Experiments on both stochastic (e.g., 2048) and deterministic (e.g., Sokoban) environments demonstrate that ProAct significantly improves planning accuracy. Notably, a 4B parameter model trained with ProAct outperforms all open-source baselines and rivals state-of-the-art closed-source models, while demonstrating robust generalization to unseen environments. The codes and models are available at https://github.com/GreatX3/ProAct

We introduce tulip agent, an architecture for autonomous LLM-based agents with Create, Read, Update, and Delete access to a tool library containing a potentially large number of tools. In contrast to state-of-the-art implementations, tulip agent does not encode the descriptions of all available tools in the system prompt, which counts against the model's context window, or embed the entire prompt for retrieving suitable tools. Instead, the tulip agent can recursively search for suitable tools in its extensible tool library, implemented exemplarily as a vector store. The tulip agent architecture significantly reduces inference costs, allows using even large tool libraries, and enables the agent to adapt and extend its set of tools. We evaluate the architecture with several ablation studies in a mathematics context and demonstrate its generalizability with an application to robotics. A reference implementation and the benchmark are available at github.com/HRI-EU/tulip_agent.

Large Language Models (LLMs) are increasingly being used as autonomous agents capable of performing complicated tasks. However, they lack the ability to perform reliable long-horizon planning on their own. This paper bridges this gap by introducing the Planning Copilot, a chatbot that integrates multiple planning tools and allows users to invoke them through instructions in natural language. The Planning Copilot leverages the Model Context Protocol (MCP), a recently developed standard for connecting LLMs with external tools and systems. This approach allows using any LLM that supports MCP without domain-specific fine-tuning. Our Planning Copilot supports common planning tasks such as checking the syntax of planning problems, selecting an appropriate planner, calling it, validating the plan it generates, and simulating their execution. We empirically evaluate the ability of our Planning Copilot to perform these tasks using three open-source LLMs. The results show that the Planning Copilot highly outperforms using the same LLMs without the planning tools. We also conducted a limited qualitative comparison of our tool against Chat GPT-5, a very recent commercial LLM. Our results shows that our Planning Copilot significantly outperforms GPT-5 despite relying on a much smaller LLM. This suggests dedicated planning tools may be an effective way to enable LLMs to perform planning tasks.

Conformant planning is the problem of finding a sequence of actions for achieving a goal in the presence of uncertainty in the initial state or action effects. The problem has been approached as a path-finding problem in belief space where good belief representations and heuristics are critical for scaling up. In this work, a different formulation is introduced for conformant problems with deterministic actions where they are automatically converted into classical ones and solved by an off-the-shelf classical planner. The translation maps literals L and sets of assumptions t about the initial situation, into new literals KL/t that represent that L must be true if t is initially true. We lay out a general translation scheme that is sound and establish the conditions under which the translation is also complete. We show that the complexity of the complete translation is exponential in a parameter of the problem called the conformant width, which for most benchmarks is bounded. The planner based on this translation exhibits good performance in comparison with existing planners, and is the basis for T0, the best performing planner in the Conformant Track of the 2006 International Planning Competition.

Planning has become a central capability for contemporary agent systems in navigating complex, long-horizon tasks, yet existing approaches predominantly rely on fixed, hand-crafted planning structures that lack the flexibility to adapt to the structural diversity of open-ended problems. To address this limitation, we introduce TodoEvolve, a meta-planning paradigm that autonomously synthesizes and dynamically revises task-specific planning architectures. Specifically, we first construct PlanFactory, a modular design space that standardizes diverse planning paradigms within a unified codebase encompassing topology, initialization, adaptation, and navigation, thereby providing a common interface for heterogeneous planning patterns. Leveraging PlanFactory, we collect high-quality planning trajectories and train Todo-14B via Impedance-Guided Preference Optimization (IGPO), a multi-objective reinforcement learning objective that encourages the generation of planning systems that are performant, stable, and token-efficient across arbitrary tasks and agent backbones. Empirical evaluations on five agentic benchmarks demonstrate that TodoEvolve consistently surpasses carefully engineered planning modules while maintaining economical API costs and runtime overhead.

Language agents have shown promising adaptability in dynamic environments to perform complex tasks. However, despite the versatile knowledge embedded in large language models, these agents still fall short when it comes to tasks that require planning. We introduce STEP, a novel framework designed to efficiently learn from previous experiences to enhance the planning capabilities of language agents in future steps. Concretely, STEP functions through four interconnected components. First, the Planner takes on the task, breaks it down into subtasks and provides relevant insights. Then the Executor generates action candidates, while the Evaluator ensures the actions align with learned rules from previous experiences. Lastly, Memory stores experiences to inform future decisions. In the ScienceWorld benchmark, our results show that STEP consistently outperforms state-of-the-art models, achieving an overall score of 67.4 and successfully completing 12 out of 18 tasks. These findings highlight STEP's potential as a framework for enhancing planning capabilities in language agents, paving the way for more sophisticated task-solving in dynamic environments.

Long-form text generation remains a significant challenge for large language models (LLMs), particularly in maintaining coherence, ensuring logical consistency, and preserving text quality as sequence length increases. To address these limitations, we propose SuperWriter-Agent, an agent-based framework designed to enhance the quality and consistency of long-form text generation. SuperWriter-Agent introduces explicit structured thinking-through planning and refinement stages into the generation pipeline, guiding the model to follow a more deliberate and cognitively grounded process akin to that of a professional writer. Based on this framework, we construct a supervised fine-tuning dataset to train a 7B SuperWriter-LM. We further develop a hierarchical Direct Preference Optimization (DPO) procedure that uses Monte Carlo Tree Search (MCTS) to propagate final quality assessments and optimize each generation step accordingly. Empirical results across diverse benchmarks demonstrate that SuperWriter-LM achieves state-of-the-art performance, surpassing even larger-scale baseline models in both automatic evaluation and human evaluation. Furthermore, comprehensive ablation studies demonstrate the effectiveness of hierarchical DPO and underscore the value of incorporating structured thinking steps to improve the quality of long-form text generation.

Based on their superior comprehension and reasoning capabilities, Large Language Model (LLM) driven agent frameworks have achieved significant success in numerous complex reasoning tasks. ReAct-like agents can solve various intricate problems step-by-step through progressive planning and tool calls, iteratively optimizing new steps based on environmental feedback. However, as the planning capabilities of LLMs improve, the actions invoked by tool calls in ReAct-like frameworks often misalign with complex planning and challenging data organization. Code Action addresses these issues while also introducing the challenges of a more complex action space and more difficult action organization. To leverage Code Action and tackle the challenges of its complexity, this paper proposes Policy and Action Dual-Control Agent (PoAct) for generalized applications. The aim is to achieve higher-quality code actions and more accurate reasoning paths by dynamically switching reasoning policies and modifying the action space. Experimental results on the Agent Benchmark for both legal and generic scenarios demonstrate the superior reasoning capabilities and reduced token consumption of our approach in complex tasks. On the LegalAgentBench, our method shows a 20 percent improvement over the baseline while requiring fewer tokens. We conducted experiments and analyses on the GPT-4o and GLM-4 series models, demonstrating the significant potential and scalability of our approach to solve complex problems.

Generating low-level robot task plans from high-level natural language instructions remains a challenging problem. Although large language models have shown promising results in generating plans, the accuracy of the output remains unverified. Furthermore, the lack of domain-specific language data poses a limitation on the applicability of these models. In this paper, we propose CLAIRIFY, a novel approach that combines automatic iterative prompting with program verification to ensure programs written in data-scarce domain-specific language are syntactically valid and incorporate environment constraints. Our approach provides effective guidance to the language model on generating structured-like task plans by incorporating any errors as feedback, while the verifier ensures the syntactic accuracy of the generated plans. We demonstrate the effectiveness of CLAIRIFY in planning chemistry experiments by achieving state-of-the-art results. We also show that the generated plans can be executed on a real robot by integrating them with a task and motion planner.

In this paper, we propose a novel factored agent architecture designed to overcome the limitations of traditional single-agent systems in agentic AI. Our approach decomposes the agent into two specialized components: (1) a large language model (LLM) that serves as a high level planner and in-context learner, which may use dynamically available information in user prompts, (2) a smaller language model which acts as a memorizer of tool format and output. This decoupling addresses prevalent issues in monolithic designs, including malformed, missing, and hallucinated API fields, as well as suboptimal planning in dynamic environments. Empirical evaluations demonstrate that our factored architecture significantly improves planning accuracy and error resilience, while elucidating the inherent trade-off between in-context learning and static memorization. These findings suggest that a factored approach is a promising pathway for developing more robust and adaptable agentic AI systems.

Real-world long-horizon embodied planning underpins embodied AI. To accomplish long-horizon tasks, agents need to decompose abstract instructions into detailed steps. Prior works mostly rely on GPT-4V for task decomposition into predefined actions, which limits task diversity due to GPT-4V's finite understanding of larger skillsets. Therefore, we present ReLEP, a groundbreaking framework for Real world Long-horizon Embodied Planning, which can accomplish a wide range of daily tasks. At its core lies a fine-tuned large vision language model that formulates plans as sequences of skill functions according to input instruction and scene image. These functions are selected from a carefully designed skill library. ReLEP is also equipped with a Memory module for plan and status recall, and a Robot Configuration module for versatility across robot types. In addition, we propose a semi-automatic data generation pipeline to tackle dataset scarcity. Real-world off-line experiments across eight daily embodied tasks demonstrate that ReLEP is able to accomplish long-horizon embodied tasks and outperforms other state-of-the-art baseline methods.

Long-form writing agents require flexible integration and interaction across information retrieval, reasoning, and composition. Current approaches rely on predetermined workflows and rigid thinking patterns to generate outlines before writing, resulting in constrained adaptability during writing. In this paper we propose a general agent framework that achieves human-like adaptive writing through recursive task decomposition and dynamic integration of three fundamental task types, i.e. retrieval, reasoning, and composition. Our methodology features: 1) a planning mechanism that interleaves recursive task decomposition and execution, eliminating artificial restrictions on writing workflow; and 2) integration of task types that facilitates heterogeneous task decomposition. Evaluations on both fiction writing and technical report generation show that our method consistently outperforms state-of-the-art approaches across all automatic evaluation metrics, which demonstrate the effectiveness and broad applicability of our proposed framework.

The rapid development of mobile GUI agents has stimulated growing research interest in long-horizon task automation. However, building agents for these tasks faces a critical bottleneck: the reliance on ever-expanding interaction history incurs substantial context overhead. Existing context management and compression techniques often fail to preserve vital semantic information, leading to degraded task performance. We propose AgentProg, a program-guided approach for agent context management that reframes the interaction history as a program with variables and control flow. By organizing information according to the structure of program, this structure provides a principled mechanism to determine which information should be retained and which can be discarded. We further integrate a global belief state mechanism inspired by Belief MDP framework to handle partial observability and adapt to unexpected environmental changes. Experiments on AndroidWorld and our extended long-horizon task suite demonstrate that AgentProg has achieved the state-of-the-art success rates on these benchmarks. More importantly, it maintains robust performance on long-horizon tasks while baseline methods experience catastrophic degradation. Our system is open-sourced at https://github.com/MobileLLM/AgentProg.

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

Large language models (LLMs) demonstrate impressive reasoning abilities, but translating reasoning into actions in the real world remains challenging. In particular, it remains unclear how to complete a given task provably within a minimum number of interactions with the external environment, e.g., through an internal mechanism of reasoning. To this end, we propose a principled framework with provable regret guarantees to orchestrate reasoning and acting, which we call "reason for future, act for now" (RAFA). Specifically, we design a prompt template for reasoning that learns from the memory buffer and plans a future trajectory over a long horizon ("reason for future"). At each step, the LLM agent takes the initial action of the planned trajectory ("act for now"), stores the collected feedback in the memory buffer, and reinvokes the reasoning routine to replan the future trajectory from the new state. The key idea is to cast reasoning in LLMs as learning and planning in Bayesian adaptive Markov decision processes (MDPs). Correspondingly, we prompt LLMs to form an updated posterior of the unknown environment from the memory buffer (learning) and generate an optimal trajectory for multiple future steps that maximizes a value function (planning). The learning and planning subroutines are performed in an "in-context" manner to emulate the actor-critic update for MDPs. Our theoretical analysis proves that the novel combination of long-term reasoning and short-term acting achieves a T regret. In particular, the regret bound highlights an intriguing interplay between the prior knowledge obtained through pretraining and the uncertainty reduction achieved by reasoning and acting. Our empirical validation shows that it outperforms various existing frameworks and achieves nearly perfect scores on a few benchmarks.

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process, i.e., agents' interaction trajectory leading to task completion, remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively. Our approach revisits and enhances former pilot trajectories through three key operations: revision, recombination, and refinement. This evolutionary mechanism enables two critical advantages: (1) it expands the search space beyond local optima by intelligently exploring diverse solution paths guided by previous trajectories, and (2) it leverages cross-trajectory inspiration to efficiently enhance performance while mitigating the impact of suboptimal reasoning paths. Through these mechanisms, SE-Agent achieves continuous self-evolution that incrementally improves reasoning quality. We evaluate SE-Agent on SWE-bench Verified to resolve real-world GitHub issues. Experimental results across five strong LLMs show that integrating SE-Agent delivers up to 55% relative improvement, achieving state-of-the-art performance among all open-source agents on SWE-bench Verified. Our code and demonstration materials are publicly available at https://github.com/JARVIS-Xs/SE-Agent.

Long-horizon planning is hindered by challenges such as uncertainty accumulation, computational complexity, delayed rewards and incomplete information. This work proposes an approach to exploit the task hierarchy from human instructions to facilitate multi-robot planning. Using Large Language Models (LLMs), we propose a two-step approach to translate multi-sentence instructions into a structured language, Hierarchical Linear Temporal Logic (LTL), which serves as a formal representation for planning. Initially, LLMs transform the instructions into a hierarchical representation defined as Hierarchical Task Tree, capturing the logical and temporal relations among tasks. Following this, a domain-specific fine-tuning of LLM translates sub-tasks of each task into flat LTL formulas, aggregating them to form hierarchical LTL specifications. These specifications are then leveraged for planning using off-the-shelf planners. Our framework not only bridges the gap between instructions and algorithmic planning but also showcases the potential of LLMs in harnessing hierarchical reasoning to automate multi-robot task planning. Through evaluations in both simulation and real-world experiments involving human participants, we demonstrate that our method can handle more complex instructions compared to existing methods. The results indicate that our approach achieves higher success rates and lower costs in multi-robot task allocation and plan generation. Demos videos are available at https://youtu.be/7WOrDKxIMIs .

Through the collaboration of multiple LLM-empowered agents possessing diverse expertise and tools, multi-agent systems achieve impressive progress in solving real-world problems. Given the user queries, the meta-agents, serving as the brain within multi-agent systems, are required to decompose the queries into multiple sub-tasks that can be allocated to suitable agents capable of solving them, so-called agent-oriented planning. In this study, we identify three critical design principles of agent-oriented planning, including solvability, completeness, and non-redundancy, to ensure that each sub-task can be effectively resolved, resulting in satisfactory responses to user queries. These principles further inspire us to propose AOP, a novel framework for agent-oriented planning in multi-agent systems, leveraging a fast task decomposition and allocation process followed by an effective and efficient evaluation via a reward model. According to the evaluation results, the meta-agent is also responsible for promptly making necessary adjustments to sub-tasks and scheduling. Besides, we integrate a feedback loop into AOP to further enhance the effectiveness and robustness of such a problem-solving process. Extensive experiments demonstrate the advancement of AOP in solving real-world problems compared to both single-agent systems and existing planning strategies for multi-agent systems. The source code is available at https://github.com/lalaliat/Agent-Oriented-Planning

The basic question-answering format of large language models involves inputting a prompt and receiving a response, and the quality of the prompt directly impacts the effectiveness of the response. Automated Prompt Optimization (APO) aims to break free from the cognitive biases of manually designed prompts and explores a broader design space for prompts. However, existing APO methods suffer from limited flexibility of fixed templates and inefficient search in prompt spaces as key issues. To this end, we propose a Multi-Agent framework Incorporating Socratic guidance (MARS), which utilizes multi-agent fusion technology for automatic planning, with gradual continuous optimization and evaluation. Specifically, MARS comprises seven agents, each with distinct functionalities, which autonomously use the Planner to devise an optimization path that ensures flexibility. Additionally, it employs a Teacher-Critic-Student Socratic dialogue pattern to iteratively optimize the prompts while conducting effective search. We conduct extensive experiments on various datasets to validate the effectiveness of our method, and perform additional analytical experiments to assess the model's advancement as well as the interpretability.

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by leveraging a combination of dynamic reasoning, adaptive long-horizon planning, multi-hop information retrieval, iterative tool use, and the generation of structured analytical reports. In this paper, we conduct a detailed analysis of the foundational technologies and architectural components that constitute Deep Research agents. We begin by reviewing information acquisition strategies, contrasting API-based retrieval methods with browser-based exploration. We then examine modular tool-use frameworks, including code execution, multimodal input processing, and the integration of Model Context Protocols (MCPs) to support extensibility and ecosystem development. To systematize existing approaches, we propose a taxonomy that differentiates between static and dynamic workflows, and we classify agent architectures based on planning strategies and agent composition, including single-agent and multi-agent configurations. We also provide a critical evaluation of current benchmarks, highlighting key limitations such as restricted access to external knowledge, sequential execution inefficiencies, and misalignment between evaluation metrics and the practical objectives of DR agents. Finally, we outline open challenges and promising directions for future research. A curated and continuously updated repository of DR agent research is available at: {https://github.com/ai-agents-2030/awesome-deep-research-agent}.

We present ScienceClaw + Infinite, a framework for autonomous scientific investigation in which independent agents conduct research without central coordination, and any contributor can deploy new agents into a shared ecosystem. The system is built around three components: an extensible registry of over 300 interoperable scientific skills, an artifact layer that preserves full computational lineage as a directed acyclic graph (DAG), and a structured platform for agent-based scientific discourse with provenance-aware governance. Agents select and chain tools based on their scientific profiles, produce immutable artifacts with typed metadata and parent lineage, and broadcast unsatisfied information needs to a shared global index. The ArtifactReactor enables plannerless coordination: peer agents discover and fulfill open needs through pressure-based scoring, while schema-overlap matching triggers multi-parent synthesis across independent analyses. An autonomous mutation layer actively prunes the expanding artifact DAG to resolve conflicting or redundant workflows, while persistent memory allows agents to continuously build upon complex epistemic states across multiple cycles. Infinite converts these outputs into auditable scientific records through structured posts, provenance views, and machine-readable discourse relations, with community feedback steering subsequent investigation cycles. Across four autonomous investigations, peptide design for the somatostatin receptor SSTR2, lightweight impact-resistant ceramic screening, cross-domain resonance bridging biology, materials, and music, and formal analogy construction between urban morphology and grain-boundary evolution, the framework demonstrates heterogeneous tool chaining, emergent convergence among independently operating agents, and traceable reasoning from raw computation to published finding.

Large Language Models (LLMs) have revolutionized software engineering (SE), demonstrating remarkable capabilities in various coding tasks. While recent efforts have produced autonomous software agents based on LLMs for end-to-end development tasks, these systems are typically designed for specific SE tasks. We introduce HyperAgent, a novel generalist multi-agent system designed to address a wide spectrum of SE tasks across different programming languages by mimicking human developers' workflows. Comprising four specialized agents - Planner, Navigator, Code Editor, and Executor. HyperAgent manages the full lifecycle of SE tasks, from initial conception to final verification. Through extensive evaluations, HyperAgent achieves state-of-the-art performance across diverse SE tasks: it attains a 25.01% success rate on SWE-Bench-Lite and 31.40% on SWE-Bench-Verified for GitHub issue resolution, surpassing existing methods. Furthermore, HyperAgent demonstrates SOTA performance in repository-level code generation (RepoExec), and in fault localization and program repair (Defects4J), often outperforming specialized systems. This work represents a significant advancement towards versatile, autonomous agents capable of handling complex, multi-step SE tasks across various domains and languages, potentially transforming AI-assisted software development practices.

Recent efforts have augmented large language models (LLMs) with external resources (e.g., the Internet) or internal control flows (e.g., prompt chaining) for tasks requiring grounding or reasoning, leading to a new class of language agents. While these agents have achieved substantial empirical success, we lack a systematic framework to organize existing agents and plan future developments. In this paper, we draw on the rich history of cognitive science and symbolic artificial intelligence to propose Cognitive Architectures for Language Agents (CoALA). CoALA describes a language agent with modular memory components, a structured action space to interact with internal memory and external environments, and a generalized decision-making process to choose actions. We use CoALA to retrospectively survey and organize a large body of recent work, and prospectively identify actionable directions towards more capable agents. Taken together, CoALA contextualizes today's language agents within the broader history of AI and outlines a path towards language-based general intelligence.

Humans can perform complex tasks with long-term objectives by planning, reasoning, and forecasting outcomes of actions. For embodied agents to achieve similar capabilities, they must gain knowledge of the environment transferable to novel scenarios with a limited budget of additional trial and error. Learning-based approaches, such as deep RL, can discover and take advantage of inherent regularities and characteristics of the application domain from data, and continuously improve their performances, however at a cost of large amounts of training data. This thesis explores the development of data-driven techniques for spatial reasoning and planning tasks, focusing on enhancing learning efficiency, interpretability, and transferability across novel scenarios. Four key contributions are made. 1) CALVIN, a differential planner that learns interpretable models of the world for long-term planning. It successfully navigated partially observable 3D environments, such as mazes and indoor rooms, by learning the rewards and state transitions from expert demonstrations. 2) SOAP, an RL algorithm that discovers options unsupervised for long-horizon tasks. Options segment a task into subtasks and enable consistent execution of the subtask. SOAP showed robust performances on history-conditional corridor tasks as well as classical benchmarks such as Atari. 3) LangProp, a code optimisation framework using LLMs to solve embodied agent problems that require reasoning by treating code as learnable policies. The framework successfully generated interpretable code with comparable or superior performance to human-written experts in the CARLA autonomous driving benchmark. 4) Voggite, an embodied agent with a vision-to-action transformer backend that solves complex tasks in Minecraft. It achieved third place in the MineRL BASALT Competition by identifying action triggers to segment tasks into multiple stages.

Large Language Models (LLMs) have demonstrated great potential in complex reasoning tasks, yet they fall short when tackling more sophisticated challenges, especially when interacting with environments through generating executable actions. This inadequacy primarily stems from the lack of built-in action knowledge in language agents, which fails to effectively guide the planning trajectories during task solving and results in planning hallucination. To address this issue, we introduce KnowAgent, a novel approach designed to enhance the planning capabilities of LLMs by incorporating explicit action knowledge. Specifically, KnowAgent employs an action knowledge base and a knowledgeable self-learning strategy to constrain the action path during planning, enabling more reasonable trajectory synthesis, and thereby enhancing the planning performance of language agents. Experimental results on HotpotQA and ALFWorld based on various backbone models demonstrate that KnowAgent can achieve comparable or superior performance to existing baselines. Further analysis indicates the effectiveness of KnowAgent in terms of planning hallucinations mitigation. Code is available in https://github.com/zjunlp/KnowAgent.

A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. There have been considerable attempts to address this problem, but given the exponentially large combinatorial space of synthesizable molecules, existing methods have shown limited coverage of the space and poor molecular optimization performance. To tackle these problems, we introduce ReaSyn, a generative framework for synthesizable projection where the model explores the neighborhood of given molecules in the synthesizable space by generating pathways that result in synthesizable analogs. To fully utilize the chemical knowledge contained in the synthetic pathways, we propose a novel perspective that views synthetic pathways akin to reasoning paths in large language models (LLMs). Specifically, inspired by chain-of-thought (CoT) reasoning in LLMs, we introduce the chain-of-reaction (CoR) notation that explicitly states reactants, reaction types, and intermediate products for each step in a pathway. With the CoR notation, ReaSyn can get dense supervision in every reaction step to explicitly learn chemical reaction rules during supervised training and perform step-by-step reasoning. In addition, to further enhance the reasoning capability of ReaSyn, we propose reinforcement learning (RL)-based finetuning and goal-directed test-time compute scaling tailored for synthesizable projection. ReaSyn achieves the highest reconstruction rate and pathway diversity in synthesizable molecule reconstruction and the highest optimization performance in synthesizable goal-directed molecular optimization, and significantly outperforms previous synthesizable projection methods in synthesizable hit expansion. These results highlight ReaSyn's superior ability to navigate combinatorially-large synthesizable chemical space.

Precision therapeutics require multimodal adaptive models that generate personalized treatment recommendations. We introduce TxAgent, an AI agent that leverages multi-step reasoning and real-time biomedical knowledge retrieval across a toolbox of 211 tools to analyze drug interactions, contraindications, and patient-specific treatment strategies. TxAgent evaluates how drugs interact at molecular, pharmacokinetic, and clinical levels, identifies contraindications based on patient comorbidities and concurrent medications, and tailors treatment strategies to individual patient characteristics. It retrieves and synthesizes evidence from multiple biomedical sources, assesses interactions between drugs and patient conditions, and refines treatment recommendations through iterative reasoning. It selects tools based on task objectives and executes structured function calls to solve therapeutic tasks that require clinical reasoning and cross-source validation. The ToolUniverse consolidates 211 tools from trusted sources, including all US FDA-approved drugs since 1939 and validated clinical insights from Open Targets. TxAgent outperforms leading LLMs, tool-use models, and reasoning agents across five new benchmarks: DrugPC, BrandPC, GenericPC, TreatmentPC, and DescriptionPC, covering 3,168 drug reasoning tasks and 456 personalized treatment scenarios. It achieves 92.1% accuracy in open-ended drug reasoning tasks, surpassing GPT-4o and outperforming DeepSeek-R1 (671B) in structured multi-step reasoning. TxAgent generalizes across drug name variants and descriptions. By integrating multi-step inference, real-time knowledge grounding, and tool-assisted decision-making, TxAgent ensures that treatment recommendations align with established clinical guidelines and real-world evidence, reducing the risk of adverse events and improving therapeutic decision-making.

Agents, as user-centric tools, are increasingly deployed for human task delegation, assisting with a broad spectrum of requests by generating thoughts, engaging with user proxies, and producing action plans. However, agents based on large language models (LLMs) often face substantial planning latency due to two primary factors: the efficiency limitations of the underlying LLMs due to their large size and high demand, and the structural complexity of the agents due to the extensive generation of intermediate thoughts to produce the final output. Given that inefficiency in service provision can undermine the value of automation for users, this paper presents a human-centered efficient agent planning method -- Interactive Speculative Planning -- aiming at enhancing the efficiency of agent planning through both system design and human-AI interaction. Our approach advocates for the co-design of the agent system and user interface, underscoring the importance of an agent system that can fluidly manage user interactions and interruptions. By integrating human interruptions as a fundamental component of the system, we not only make it more user-centric but also expedite the entire process by leveraging human-in-the-loop interactions to provide accurate intermediate steps. Code and data will be released.

Real-world tasks require decisions at varying granularities, and humans excel at this by leveraging a unified cognitive representation where planning is fundamentally understood as a high-level form of action. However, current Large Language Model (LLM)-based agents lack this crucial capability to operate fluidly across decision granularities. This limitation stems from existing paradigms that enforce a rigid separation between high-level planning and low-level action, which impairs dynamic adaptability and limits generalization. We propose ReCode (Recursive Code Generation), a novel paradigm that addresses this limitation by unifying planning and action within a single code representation. In this representation, ReCode treats high-level plans as abstract placeholder functions, which the agent then recursively decomposes into finer-grained sub-functions until reaching primitive actions. This recursive approach dissolves the rigid boundary between plan and action, enabling the agent to dynamically control its decision granularity. Furthermore, the recursive structure inherently generates rich, multi-granularity training data, enabling models to learn hierarchical decision-making processes. Extensive experiments show ReCode significantly surpasses advanced baselines in inference performance and demonstrates exceptional data efficiency in training, validating our core insight that unifying planning and action through recursive code generation is a powerful and effective approach to achieving universal granularity control. The code is available at https://github.com/FoundationAgents/ReCode.

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.

AI agents -- systems that combine foundation models with reasoning, planning, memory, and tool use -- are rapidly becoming a practical interface between natural-language intent and real-world computation. This survey synthesizes the emerging landscape of AI agent architectures across: (i) deliberation and reasoning (e.g., chain-of-thought-style decomposition, self-reflection and verification, and constraint-aware decision making), (ii) planning and control (from reactive policies to hierarchical and multi-step planners), and (iii) tool calling and environment interaction (retrieval, code execution, APIs, and multimodal perception). We organize prior work into a unified taxonomy spanning agent components (policy/LLM core, memory, world models, planners, tool routers, and critics), orchestration patterns (single-agent vs.\ multi-agent; centralized vs.\ decentralized coordination), and deployment settings (offline analysis vs.\ online interactive assistance; safety-critical vs.\ open-ended tasks). We discuss key design trade-offs -- latency vs.\ accuracy, autonomy vs.\ controllability, and capability vs.\ reliability -- and highlight how evaluation is complicated by non-determinism, long-horizon credit assignment, tool and environment variability, and hidden costs such as retries and context growth. Finally, we summarize measurement and benchmarking practices (task suites, human preference and utility metrics, success under constraints, robustness and security) and identify open challenges including verification and guardrails for tool actions, scalable memory and context management, interpretability of agent decisions, and reproducible evaluation under realistic workloads.

Computer use agents automate digital tasks by directly interacting with graphical user interfaces (GUIs) on computers and mobile devices, offering significant potential to enhance human productivity by completing an open-ended space of user queries. However, current agents face significant challenges: imprecise grounding of GUI elements, difficulties with long-horizon task planning, and performance bottlenecks from relying on single generalist models for diverse cognitive tasks. To this end, we introduce Agent S2, a novel compositional framework that delegates cognitive responsibilities across various generalist and specialist models. We propose a novel Mixture-of-Grounding technique to achieve precise GUI localization and introduce Proactive Hierarchical Planning, dynamically refining action plans at multiple temporal scales in response to evolving observations. Evaluations demonstrate that Agent S2 establishes new state-of-the-art (SOTA) performance on three prominent computer use benchmarks. Specifically, Agent S2 achieves 18.9% and 32.7% relative improvements over leading baseline agents such as Claude Computer Use and UI-TARS on the OSWorld 15-step and 50-step evaluation. Moreover, Agent S2 generalizes effectively to other operating systems and applications, surpassing previous best methods by 52.8% on WindowsAgentArena and by 16.52% on AndroidWorld relatively. Code available at https://github.com/simular-ai/Agent-S.

A goal of artificial intelligence is to construct an agent that can solve a wide variety of tasks. Recent progress in text-guided image synthesis has yielded models with an impressive ability to generate complex novel images, exhibiting combinatorial generalization across domains. Motivated by this success, we investigate whether such tools can be used to construct more general-purpose agents. Specifically, we cast the sequential decision making problem as a text-conditioned video generation problem, where, given a text-encoded specification of a desired goal, a planner synthesizes a set of future frames depicting its planned actions in the future, after which control actions are extracted from the generated video. By leveraging text as the underlying goal specification, we are able to naturally and combinatorially generalize to novel goals. The proposed policy-as-video formulation can further represent environments with different state and action spaces in a unified space of images, which, for example, enables learning and generalization across a variety of robot manipulation tasks. Finally, by leveraging pretrained language embeddings and widely available videos from the internet, the approach enables knowledge transfer through predicting highly realistic video plans for real robots.

Tool use is a hallmark of advanced intelligence, exemplified in both animal behavior and robotic capabilities. This paper investigates the feasibility of imbuing robots with the ability to creatively use tools in tasks that involve implicit physical constraints and long-term planning. Leveraging Large Language Models (LLMs), we develop RoboTool, a system that accepts natural language instructions and outputs executable code for controlling robots in both simulated and real-world environments. RoboTool incorporates four pivotal components: (i) an "Analyzer" that interprets natural language to discern key task-related concepts, (ii) a "Planner" that generates comprehensive strategies based on the language input and key concepts, (iii) a "Calculator" that computes parameters for each skill, and (iv) a "Coder" that translates these plans into executable Python code. Our results show that RoboTool can not only comprehend explicit or implicit physical constraints and environmental factors but also demonstrate creative tool use. Unlike traditional Task and Motion Planning (TAMP) methods that rely on explicit optimization, our LLM-based system offers a more flexible, efficient, and user-friendly solution for complex robotics tasks. Through extensive experiments, we validate that RoboTool is proficient in handling tasks that would otherwise be infeasible without the creative use of tools, thereby expanding the capabilities of robotic systems. Demos are available on our project page: https://creative-robotool.github.io/.

Graphical User Interface (GUI) agents hold great potential for automating complex tasks across diverse digital environments, from web applications to desktop software. However, the development of such agents is hindered by the lack of high-quality, multi-step trajectory data required for effective training. Existing approaches rely on expensive and labor-intensive human annotation, making them unsustainable at scale. To address this challenge, we propose AgentTrek, a scalable data synthesis pipeline that generates high-quality GUI agent trajectories by leveraging web tutorials. Our method automatically gathers tutorial-like texts from the internet, transforms them into task goals with step-by-step instructions, and employs a visual-language model agent to simulate their execution in a real digital environment. A VLM-based evaluator ensures the correctness of the generated trajectories. We demonstrate that training GUI agents with these synthesized trajectories significantly improves their grounding and planning performance over the current models. Moreover, our approach is more cost-efficient compared to traditional human annotation methods. This work underscores the potential of guided replay with web tutorials as a viable strategy for large-scale GUI agent training, paving the way for more capable and autonomous digital agents.

For effective human-robot interaction, robots need to understand, plan, and execute complex, long-horizon tasks described by natural language. Recent advances in large language models (LLMs) have shown promise for translating natural language into robot action sequences for complex tasks. However, existing approaches either translate the natural language directly into robot trajectories or factor the inference process by decomposing language into task sub-goals and relying on a motion planner to execute each sub-goal. When complex environmental and temporal constraints are involved, inference over planning tasks must be performed jointly with motion plans using traditional task-and-motion planning (TAMP) algorithms, making factorization into subgoals untenable. Rather than using LLMs to directly plan task sub-goals, we instead perform few-shot translation from natural language task descriptions to an intermediate task representation that can then be consumed by a TAMP algorithm to jointly solve the task and motion plan. To improve translation, we automatically detect and correct both syntactic and semantic errors via autoregressive re-prompting, resulting in significant improvements in task completion. We show that our approach outperforms several methods using LLMs as planners in complex task domains. See our project website https://yongchao98.github.io/MIT-REALM-AutoTAMP/ for prompts, videos, and code.

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.

Recent advancements in large language models (LLMs) have enabled significant progress in decision-making and task planning for embodied autonomous agents. However, most existing methods struggle with complex, long-horizon tasks because they rely on a monolithic trajectory that entangles all past decisions and observations to solve the entire task in a single unified process. To address this limitation, we propose ReAcTree, a hierarchical task-planning method that decomposes a complex goal into manageable subgoals within a dynamically constructed agent tree. Each subgoal is handled by an LLM agent node capable of reasoning, acting, and further expanding the tree, while control flow nodes coordinate the execution strategies of agent nodes. In addition, we integrate two complementary memory systems: each agent node retrieves goal-specific, subgoal-level examples from episodic memory and shares environment-specific observations through working memory. Experiments on the WAH-NL and ALFRED show ReAcTree consistently outperforms strong task-planning baselines such as ReAct across diverse LLMs. Notably, on WAH-NL, ReAcTree achieves a 61% goal success rate with Qwen 2.5 72B, nearly doubling ReAct's 31%. The code is available at https://github.com/Choi-JaeWoo/ReAcTree.git.

Recent advances in reasoning and planning capabilities of large language models (LLMs) have enabled their potential as autonomous agents capable of tool use in dynamic environments. However, in multi-turn conversational environments like tau-bench, these agents often struggle with consistent reasoning, adherence to domain-specific policies, and extracting correct information over a long horizon of tool-calls and conversation. To capture and mitigate these failures, we conduct a comprehensive manual analysis of the common errors occurring in the conversation trajectories. We then experiment with reformulations of inputs to the tool-calling agent for improvement in agent decision making. Finally, we propose the Input-Reformulation Multi-Agent (IRMA) framework, which automatically reformulates user queries augmented with relevant domain rules and tool suggestions for the tool-calling agent to focus on. The results show that IRMA significantly outperforms ReAct, Function Calling, and Self-Reflection by 16.1%, 12.7%, and 19.1%, respectively, in overall pass^5 scores. These findings highlight the superior reliability and consistency of IRMA compared to other methods in dynamic environments.

Automated Planning and Scheduling is among the growing areas in Artificial Intelligence (AI) where mention of LLMs has gained popularity. Based on a comprehensive review of 126 papers, this paper investigates eight categories based on the unique applications of LLMs in addressing various aspects of planning problems: language translation, plan generation, model construction, multi-agent planning, interactive planning, heuristics optimization, tool integration, and brain-inspired planning. For each category, we articulate the issues considered and existing gaps. A critical insight resulting from our review is that the true potential of LLMs unfolds when they are integrated with traditional symbolic planners, pointing towards a promising neuro-symbolic approach. This approach effectively combines the generative aspects of LLMs with the precision of classical planning methods. By synthesizing insights from existing literature, we underline the potential of this integration to address complex planning challenges. Our goal is to encourage the ICAPS community to recognize the complementary strengths of LLMs and symbolic planners, advocating for a direction in automated planning that leverages these synergistic capabilities to develop more advanced and intelligent planning systems.

Agents based on large language models (LLMs) struggle with brainless trial-and-error and generating hallucinatory actions due to a lack of global planning in long-horizon tasks. In this paper, we introduce a plan-and-execute framework and propose EAGLET, an efficient and effective planner training method to enhance the executor agent's planning abilities without human effort. Specifically, we train a plug-and-play global planner through a two-step process: we first synthesize high-quality plans from an advanced LLM using our proposed homologous consensus filtering strategy, and apply fine-tuning as a cold start. Moreover, we further improve the planner with a rule-based reinforcement learning stage using a novel executor capability gain reward, ensuring it can handle task instructions of varying difficulty. Experiments on three long-horizon agent tasks show that executor agents equipped with our planner outperform existing methods, achieving new state-of-the-art performance. Meanwhile, EAGLET reduces training costs by 8x compared to RL-based baselines, and it does not require manual effort or extra training data, offering an efficient and effective solution.

As Large Language Models (LLMs) have shown significant intelligence, the progress to leverage LLMs as planning modules of autonomous agents has attracted more attention. This survey provides the first systematic view of LLM-based agents planning, covering recent works aiming to improve planning ability. We provide a taxonomy of existing works on LLM-Agent planning, which can be categorized into Task Decomposition, Plan Selection, External Module, Reflection and Memory. Comprehensive analyses are conducted for each direction, and further challenges for the field of research are discussed.

Large language model (LLM)-based agents have emerged as powerful autonomous controllers for digital environments, including mobile interfaces, operating systems, and web browsers. Web navigation, for example, requires handling dynamic content and long sequences of actions, making it particularly challenging. Existing LLM-based agents struggle with long-horizon planning in two main ways. During online execution, they often lose track as new information arrives, lacking a clear and adaptive path toward the final goal. This issue is further exacerbated during reinforcement learning (RL) fine-tuning, where sparse and delayed rewards make it difficult for agents to identify which actions lead to success, preventing them from maintaining coherent reasoning over extended tasks. To address these challenges, we propose two contributions. First, we introduce an agent framework that leverages proprietary models for online planning through subgoal decomposition. Second, we present MiRA (Milestoning your Reinforcement Learning Enhanced Agent), an RL training framework that uses dense, milestone-based reward signals. The real-time planning mechanism improves proprietary models such as Gemini by approximately a 10% absolute increase in success rate (SR) on the WebArena-Lite benchmark. Meanwhile, applying MiRA to the open Gemma3-12B model increases its success rate from 6.4% to 43.0%. This performance surpasses proprietary systems such as GPT-4-Turbo (17.6%) and GPT-4o (13.9%), as well as the previous open-model state of the art, WebRL (38.4%). Overall, our findings demonstrate that combining explicit inference-time planning with milestone-based rewards significantly improves an agent's long-horizon capabilities, paving the way for more robust and general-purpose autonomous systems.

Enhancing the reasoning capabilities of large language models (LLMs) is crucial for enabling them to tackle complex, multi-step problems. Multi-agent frameworks have shown great potential in enhancing LLMs' reasoning capabilities. However, the lack of effective cooperation between LLM agents hinders their performance, especially for multi-step reasoning tasks. This paper proposes a novel cooperative multi-agent reasoning framework (CoPlanner) by separating reasoning steps and assigning distinct duties to different agents. CoPlanner consists of two LLM agents: a planning agent and a reasoning agent. The planning agent provides high-level strategic hints, while the reasoning agent follows these hints and infers answers. By training the planning agent's policy through the interactive reasoning process via Proximal Policy Optimization (PPO), the LLaMA-3-8B-based CoPlanner outperforms the previous best method by 9.94\% on LogiQA and 3.09\% on BBH. Our results demonstrate that the guidance from the planning agent and the effective cooperation between the agents contribute to the superior performance of CoPlanner in tackling multi-step reasoning problems.

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.

Current agentic frameworks underperform on long-horizon tasks. As reasoning depth increases, sequential orchestration becomes brittle, context windows impose hard limits that degrade performance, and opaque execution traces make failures difficult to localize or debug. We introduce ROMA (Recursive Open Meta-Agents), a domain-agnostic framework that addresses these limitations through recursive task decomposition and structured aggregation. ROMA decomposes goals into dependency-aware subtask trees that can be executed in parallel, while aggregation compresses and validates intermediate results to control context growth. Our framework standardizes agent construction around four modular roles --Atomizer (which decides whether a task should be decomposed), Planner, Executor, and Aggregator -- which cleanly separate orchestration from model selection and enable transparent, hierarchical execution traces. This design supports heterogeneous multi-agent systems that mix models and tools according to cost, latency, and capability. To adapt ROMA to specific tasks without fine-tuning, we further introduce GEPA+, an improved Genetic-Pareto prompt proposer that searches over prompts within ROMA's component hierarchy while preserving interface contracts. We show that ROMA, combined with GEPA+, delivers leading system-level performance on reasoning and long-form generation benchmarks. On SEAL-0, which evaluates reasoning over conflicting web evidence, ROMA instantiated with GLM-4.6 improves accuracy by 9.9\% over Kimi-Researcher. On EQ-Bench, a long-form writing benchmark, ROMA enables DeepSeek-V3 to match the performance of leading closed-source models such as Claude Sonnet 4.5. Our results demonstrate that recursive, modular agent architectures can scale reasoning depth while remaining interpretable, flexible, and model-agnostic.

Large language models (LLMs) have been shown to perform better when scaffolded into agents with memory, tools, and feedback. Beyond this, self-evolving agents have emerged, but current work largely limits adaptation to prompt rewriting or failure retries. Therefore, we present ALITA-G, a self-evolution framework that transforms a general-purpose agent into a domain expert by systematically generating, abstracting, and curating Model Context Protocol (MCP) tools. In this framework, a generalist agent executes a curated suite of target-domain tasks and synthesizes candidate MCPs from successful trajectories. These are then abstracted to parameterized primitives and consolidated into an MCP Box. At inference time, ALITA-G performs retrieval-augmented MCP selection with the help of each tool's descriptions and use cases, before executing an agent equipped with the MCP Executor. Across several benchmarks GAIA, PathVQA, and Humanity's Last Exam, ALITA-G attains strong gains while reducing computation costs. On GAIA validation, it achieves 83.03% pass@1 and 89.09% pass@3, establishing a new state-of-the-art result while reducing mean tokens per example by approximately 15% relative to a strong baseline agent. ALITA-G thus provides a principled pathway from generalist capability to reusable, domain-specific competence, improving both accuracy and efficiency on complex reasoning tasks.

Large language model (LLM) agents are increasingly deployed to tackle complex tasks, often necessitating collaboration among multiple specialized agents. However, multi-agent collaboration introduces new challenges in planning, coordination, and verification. Execution failures frequently arise not from flawed reasoning alone, but from subtle misalignments in task interpretation, output format, or inter-agent handoffs. To address these challenges, we present VeriMAP, a framework for multi-agent collaboration with verification-aware planning. The VeriMAP planner decomposes tasks, models subtask dependencies, and encodes planner-defined passing criteria as subtask verification functions (VFs) in Python and natural language. We evaluate VeriMAP on diverse datasets, demonstrating that it outperforms both single- and multi-agent baselines while enhancing system robustness and interpretability. Our analysis highlights how verification-aware planning enables reliable coordination and iterative refinement in multi-agent systems, without relying on external labels or annotations.

With recent advancements in natural language processing, Large Language Models (LLMs) have emerged as powerful tools for various real-world applications. Despite their prowess, the intrinsic generative abilities of LLMs may prove insufficient for handling complex tasks which necessitate a combination of task planning and the usage of external tools. In this paper, we first propose a structured framework tailored for LLM-based AI Agents and discuss the crucial capabilities necessary for tackling intricate problems. Within this framework, we design two distinct types of agents (i.e., one-step agent and sequential agent) to execute the inference process. Subsequently, we instantiate the framework using various LLMs and evaluate their Task Planning and Tool Usage (TPTU) abilities on typical tasks. By highlighting key findings and challenges, our goal is to provide a helpful resource for researchers and practitioners to leverage the power of LLMs in their AI applications. Our study emphasizes the substantial potential of these models, while also identifying areas that need more investigation and improvement.

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To address these issues, we propose an LLM-based agent that synergistically integrates 137 external chemical tools created ranging from basic information retrieval to complex reaction predictions, and a dataset curation pipeline to generate the dataset ChemToolBench that facilitates both effective tool selection and precise parameter filling during fine-tuning and evaluation. We introduce a Hierarchical Evolutionary Monte Carlo Tree Search (HE-MCTS) framework, enabling independent optimization of tool planning and execution. By leveraging self-generated data, our approach supports step-level fine-tuning (FT) of the policy model and training task-adaptive PRM and ORM that surpass GPT-4o. Experimental evaluations demonstrate that our approach significantly improves performance in Chemistry QA and discovery tasks, offering a robust solution to integrate specialized tools with LLMs for advanced chemical applications. All datasets and code are available at https://github.com/AI4Chem/ChemistryAgent .

Despite significant advancements in general-purpose AI agents, several challenges still hinder their practical application in real-world scenarios. First, the limited planning capabilities of Large Language Models (LLM) restrict AI agents from effectively solving complex tasks that require long-horizon planning. Second, general-purpose AI agents struggle to efficiently utilize domain-specific knowledge and human expertise. In this paper, we introduce the Standard Operational Procedure-guided Agent (SOP-agent), a novel framework for constructing domain-specific agents through pseudocode-style Standard Operational Procedures (SOPs) written in natural language. Formally, we represent a SOP as a decision graph, which is traversed to guide the agent in completing tasks specified by the SOP. We conduct extensive experiments across tasks in multiple domains, including decision-making, search and reasoning, code generation, data cleaning, and grounded customer service. The SOP-agent demonstrates excellent versatility, achieving performance superior to general-purpose agent frameworks and comparable to domain-specific agent systems. Additionally, we introduce the Grounded Customer Service Benchmark, the first benchmark designed to evaluate the grounded decision-making capabilities of AI agents in customer service scenarios based on SOPs.

Autonomous vehicles (AVs) require adaptive behavior planners to navigate unpredictable, real-world environments safely. Traditional behavior trees (BTs) offer structured decision logic but are inherently static and demand labor-intensive manual tuning, limiting their applicability at SAE Level 5 autonomy. This paper presents an agentic framework that leverages large language models (LLMs) and multi-modal vision models (LVMs) to generate and adapt BTs on the fly. A specialized Descriptor agent applies chain-of-symbols prompting to assess scene criticality, a Planner agent constructs high-level sub-goals via in-context learning, and a Generator agent synthesizes executable BT sub-trees in XML format. Integrated into a CARLA+Nav2 simulation, our system triggers only upon baseline BT failure, demonstrating successful navigation around unexpected obstacles (e.g., street blockage) with no human intervention. Compared to a static BT baseline, this approach is a proof-of-concept that extends to diverse driving scenarios.

While Large Language Models (LLMs) can solve many NLP tasks in zero-shot settings, applications involving embodied agents remain problematic. In particular, complex plans that require multi-step reasoning become difficult and too costly as the context window grows. Planning requires understanding the likely effects of one's actions and identifying whether the current environment satisfies the goal state. While symbolic planners find optimal solutions quickly, they require a complete and accurate representation of the planning problem, severely limiting their use in practical scenarios. In contrast, modern LLMs cope with noisy observations and high levels of uncertainty when reasoning about a task. Our work presents LLM Dynamic Planner (LLM-DP): a neuro-symbolic framework where an LLM works hand-in-hand with a traditional planner to solve an embodied task. Given action-descriptions, LLM-DP solves Alfworld faster and more efficiently than a naive LLM ReAct baseline.

AI agents built on large language models (LLMs) hold enormous promise, but current practice focuses on a one-task-one-agent approach, which not only falls short of scalability and generality, but also suffers from the fundamental limitations of autoregressive LLMs. On the other hand, humans are general agents who reason by mentally simulating the outcomes of their actions and plans. Moving towards a more general and powerful AI agent, we introduce SimuRA, a goal-oriented architecture for generalized agentic reasoning. Based on a principled formulation of optimal agent in any environment, \modelname overcomes the limitations of autoregressive reasoning by introducing a world model for planning via simulation. The generalized world model is implemented using LLM, which can flexibly plan in a wide range of environments using the concept-rich latent space of natural language. Experiments on difficult web browsing tasks show that \modelname improves the success of flight search from 0\% to 32.2\%. World-model-based planning, in particular, shows consistent advantage of up to 124\% over autoregressive planning, demonstrating the advantage of world model simulation as a reasoning paradigm. We are excited about the possibility for training a single, general agent model based on LLMs that can act superintelligently in all environments. To start, we make SimuRA, a web-browsing agent built on \modelname with pretrained LLMs, available as a research demo for public testing.

The rapid advancement of large language models (LLMs) has significantly enhanced the capabilities of AI-driven agents across various tasks. However, existing agentic systems, whether based on fixed pipeline algorithms or pre-defined meta-learning frameworks, cannot search the whole agent design space due to the restriction of human-designed components, and thus might miss the globally optimal agent design. In this paper, we introduce G\"odel Agent, a self-evolving framework inspired by the G\"odel machine, enabling agents to recursively improve themselves without relying on predefined routines or fixed optimization algorithms. G\"odel Agent leverages LLMs to dynamically modify its own logic and behavior, guided solely by high-level objectives through prompting. Experimental results on mathematical reasoning and complex agent tasks demonstrate that implementation of G\"odel Agent can achieve continuous self-improvement, surpassing manually crafted agents in performance, efficiency, and generalizability.

Recent research on Reasoning of Large Language Models (LLMs) has sought to further enhance their performance by integrating meta-thinking -- enabling models to monitor, evaluate, and control their reasoning processes for more adaptive and effective problem-solving. However, current single-agent work lacks a specialized design for acquiring meta-thinking, resulting in low efficacy. To address this challenge, we introduce Reinforced Meta-thinking Agents (ReMA), a novel framework that leverages Multi-Agent Reinforcement Learning (MARL) to elicit meta-thinking behaviors, encouraging LLMs to think about thinking. ReMA decouples the reasoning process into two hierarchical agents: a high-level meta-thinking agent responsible for generating strategic oversight and plans, and a low-level reasoning agent for detailed executions. Through iterative reinforcement learning with aligned objectives, these agents explore and learn collaboration, leading to improved generalization and robustness. Experimental results demonstrate that ReMA outperforms single-agent RL baselines on complex reasoning tasks, including competitive-level mathematical benchmarks and LLM-as-a-Judge benchmarks. Comprehensive ablation studies further illustrate the evolving dynamics of each distinct agent, providing valuable insights into how the meta-thinking reasoning process enhances the reasoning capabilities of LLMs.