Daily Papers

LLM agents are rapidly becoming the practical interface for task automation, yet the ecosystem lacks a principled way to choose among an exploding space of deployable configurations. Existing LLM leaderboards and tool/agent benchmarks evaluate components in isolation and remain fragmented across tasks, metrics, and candidate pools, leaving a critical research gap: there is little query-conditioned supervision for learning to recommend end-to-end agent configurations that couple a backbone model with a toolkit. We address this gap with AgentSelect, a benchmark that reframes agent selection as narrative query-to-agent recommendation over capability profiles and systematically converts heterogeneous evaluation artifacts into unified, positive-only interaction data. AgentSelectcomprises 111,179 queries, 107,721 deployable agents, and 251,103 interaction records aggregated from 40+ sources, spanning LLM-only, toolkit-only, and compositional agents. Our analyses reveal a regime shift from dense head reuse to long-tail, near one-off supervision, where popularity-based CF/GNN methods become fragile and content-aware capability matching is essential. We further show that Part~III synthesized compositional interactions are learnable, induce capability-sensitive behavior under controlled counterfactual edits, and improve coverage over realistic compositions; models trained on AgentSelect also transfer to a public agent marketplace (MuleRun), yielding consistent gains on an unseen catalog. Overall, AgentSelect provides the first unified data and evaluation infrastructure for agent recommendation, which establishes a reproducible foundation to study and accelerate the emerging agent ecosystem.

While GUI agents have made significant progress in web navigation and basic operating system tasks, their capabilities in professional creative workflows remain largely underexplored. To bridge this gap, we introduce Cutverse, a benchmark designed to systematically evaluate autonomous GUI agents in realistic media post-production environments. We curate expert demonstrations across 7 professional applications (e.g., Premiere Pro, Photoshop), covering 186 complex, long-horizon tasks grounded in authentic editing workflows, involving dense multimodal interfaces and tightly coupled interaction sequences. To support scalable evaluation, we develop a lightweight parser that transforms raw screen recordings and low-level interaction logs into structured, compositional GUI action trajectories with precise grounding. Extensive evaluations reveal that existing agents achieve only 36.0\% task success on realistic media editing tasks, underscoring the challenges posed by complex, long-horizon media post-production workflows in our benchmark.While current models demonstrate promising spatial grounding, multimodal alignment, and coordinated action execution, they remain limited in long-horizon reliability and domain-specific planning.

Generative visual models fundamentally struggle with precise spatial control. This arises from a core disconnect: models can process textual descriptions of space but cannot directly map numerical coordinates onto the 2D image canvas. We introduce MetaPoint, a method that bridges this gap by representing a continuous 2D coordinate as a single, special token. Crucially, MetaPoint requires no new architectural components; it directly leverages the model's inherent positional encoding schemes to interpret these coordinates, treating our token as a virtual point on the canvas. This lightweight approach enables pixel-level control of an object's position with one token or its bounding box with two, all without requiring architectural changes or bespoke attention masking. The MetaPoint tokens are designed to be compositional, serving as spatial primitives. This allows a planner agent to decompose a high-level user request into a structured sequence of primitives for the generator. By providing a simple, precise, and scalable building block for spatial control, MetaPoint unlocks more powerful compositional generative agents and enables intuitive, interactive editing systems.

Autonomous agents powered by multimodal large language models have been developed to facilitate task execution on mobile devices. However, prior work has predominantly focused on atomic tasks -- such as shot-chain execution tasks and single-screen grounding tasks -- while overlooking the generalization to compositional tasks, which are indispensable for real-world applications. This work introduces UI-NEXUS, a comprehensive benchmark designed to evaluate mobile agents on three categories of compositional operations: Simple Concatenation, Context Transition, and Deep Dive. UI-NEXUS supports interactive evaluation in 20 fully controllable local utility app environments, as well as 30 online Chinese and English service apps. It comprises 100 interactive task templates with an average optimal step count of 14.05. Experimental results across a range of mobile agents with agentic workflow or agent-as-a-model show that UI-NEXUS presents significant challenges. Specifically, existing agents generally struggle to balance performance and efficiency, exhibiting representative failure modes such as under-execution, over-execution, and attention drift, causing visible atomic-to-compositional generalization gap. Inspired by these findings, we propose AGENT-NEXUS, a lightweight and efficient scheduling system to tackle compositional mobile tasks. AGENT-NEXUS extrapolates the abilities of existing mobile agents by dynamically decomposing long-horizon tasks to a series of self-contained atomic subtasks. AGENT-NEXUS achieves 24% to 40% task success rate improvement for existing mobile agents on compositional operation tasks within the UI-NEXUS benchmark without significantly sacrificing inference overhead. The demo video, dataset, and code are available on the project page at https://ui-nexus.github.io.

Autonomous embodied agents live on an Internet of multimedia websites. Can they hop around multimodal websites to complete complex user tasks? Existing benchmarks fail to assess them in a realistic, evolving environment for their embodiment across websites. To answer this question, we present MMInA, a multihop and multimodal benchmark to evaluate the embodied agents for compositional Internet tasks, with several appealing properties: 1) Evolving real-world multimodal websites. Our benchmark uniquely operates on evolving real-world websites, ensuring a high degree of realism and applicability to natural user tasks. Our data includes 1,050 human-written tasks covering various domains such as shopping and travel, with each task requiring the agent to autonomously extract multimodal information from web pages as observations; 2) Multihop web browsing. Our dataset features naturally compositional tasks that require information from or actions on multiple websites to solve, to assess long-range reasoning capabilities on web tasks; 3) Holistic evaluation. We propose a novel protocol for evaluating an agent's progress in completing multihop tasks. We experiment with both standalone (multimodal) language models and heuristic-based web agents. Extensive experiments demonstrate that while long-chain multihop web tasks are easy for humans, they remain challenging for state-of-the-art web agents. We identify that agents are more likely to fail on the early hops when solving tasks of more hops, which results in lower task success rates. To address this issue, we propose a simple memory augmentation approach replaying past action trajectories to reflect. Our method significantly improved both the single-hop and multihop web browsing abilities of agents. See our code and data at https://mmina.cliangyu.com

LLM agents increasingly rely on external skills -- reusable tool specifications -- but real-world tasks often require composing multiple skills, not just selecting one. We formalize this as the Compositional Skill Routing problem: given a complex user query and a large skill library, decompose the query into atomic sub-tasks, retrieve the appropriate skill for each sub-task, and compose an executable plan. We present SkillWeaver, a decompose-retrieve-compose framework combining an LLM task decomposer, a bi-encoder skill retriever with FAISS indexing, and a dependency-aware DAG planner. To support evaluation, we introduce CompSkillBench, a benchmark of 300 compositional queries over 2,209 real MCP server skills spanning 24 functional categories, sourced from the public MCP ecosystem. Our experiments reveal that task decomposition quality is the primary bottleneck: standard LLM decomposition reaches only 34.2% category recall at the step level. To address this, we propose Iterative Skill-Aware Decomposition (SAD), a retrieval-augmented feedback loop that iteratively aligns decomposition with available skills. SAD improves decomposition accuracy from 51.0% to 67.7% (+32.7%, Wilcoxon p < 10^-6) in a single iteration; DA-conditioned analysis confirms that correct granularity is the prerequisite for effective retrieval (CatR@1 rises from 34% to 41% when DA=1). SkillWeaver reduces context window consumption by over 99%, and transfer experiments confirm generalization (+35.6% relative DA gain even when target categories are absent from the retrieval pool).

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.

3D human motion generation has seen substantial advancement in recent years. While state-of-the-art approaches have improved performance significantly, they still struggle with complex and detailed motions unseen in training data, largely due to the scarcity of motion datasets and the prohibitive cost of generating new training examples. To address these challenges, we introduce CoMA, an agent-based solution for complex human motion generation, editing, and comprehension. CoMA leverages multiple collaborative agents powered by large language and vision models, alongside a mask transformer-based motion generator featuring body part-specific encoders and codebooks for fine-grained control. Our framework enables generation of both short and long motion sequences with detailed instructions, text-guided motion editing, and self-correction for improved quality. Evaluations on the HumanML3D dataset demonstrate competitive performance against state-of-the-art methods. Additionally, we create a set of context-rich, compositional, and long text prompts, where user studies show our method significantly outperforms existing approaches.

Language model agents (LMA) recently emerged as a promising paradigm on muti-step decision making tasks, often outperforming humans and other reinforcement learning agents. Despite the promise, their performance on real-world applications that often involve combinations of tasks is still underexplored. In this work, we introduce a new benchmark, called CompWoB -- 50 new compositional web automation tasks reflecting more realistic assumptions. We show that while existing prompted LMAs (gpt-3.5-turbo or gpt-4) achieve 94.0% average success rate on base tasks, their performance degrades to 24.9% success rate on compositional tasks. On the other hand, transferred LMAs (finetuned only on base tasks) show less generalization gap, dropping from 85.4% to 54.8%. By balancing data distribution across tasks, we train a new model, HTML-T5++, that surpasses human-level performance (95.2%) on MiniWoB, and achieves the best zero-shot performance on CompWoB (61.5%). While these highlight the promise of small-scale finetuned and transferred models for compositional generalization, their performance further degrades under different instruction compositions changing combinational order. In contrast to the recent remarkable success of LMA, our benchmark and detailed analysis emphasize the necessity of building LMAs that are robust and generalizable to task compositionality for real-world deployment.

The rapid progress of large language models (LLMs) has seen them excel and frequently surpass human performance on standard benchmarks. This has enabled many downstream applications, such as LLM agents, to rely on their sophisticated reasoning to navigate complex task requirements. However, LLMs are known to unexpectedly falter in simple tasks and under seemingly straightforward circumstances - underscoring the need for better and more diverse evaluation setups to measure their true capabilities. To this end, we choose to study compositional and conditional reasoning, two cornerstones of human cognition, and introduce GroundCocoa - a lexically diverse benchmark connecting these reasoning skills to the real-world problem of flight booking. Our task involves aligning detailed user preferences with available flight options presented in a multiple-choice format. Results indicate a significant disparity in performance among current state-of-the-art LLMs with even the best performing model, GPT-4 Turbo, not exceeding 67% accuracy despite advanced prompting techniques.

Text-to-video generation models have shown significant progress in the recent years. However, they still struggle with generating complex dynamic scenes based on compositional text prompts, such as attribute binding for multiple objects, temporal dynamics associated with different objects, and interactions between objects. Our key motivation is that complex tasks can be decomposed into simpler ones, each handled by a role-specialized MLLM agent. Multiple agents can collaborate together to achieve collective intelligence for complex goals. We propose GenMAC, an iterative, multi-agent framework that enables compositional text-to-video generation. The collaborative workflow includes three stages: Design, Generation, and Redesign, with an iterative loop between the Generation and Redesign stages to progressively verify and refine the generated videos. The Redesign stage is the most challenging stage that aims to verify the generated videos, suggest corrections, and redesign the text prompts, frame-wise layouts, and guidance scales for the next iteration of generation. To avoid hallucination of a single MLLM agent, we decompose this stage to four sequentially-executed MLLM-based agents: verification agent, suggestion agent, correction agent, and output structuring agent. Furthermore, to tackle diverse scenarios of compositional text-to-video generation, we design a self-routing mechanism to adaptively select the proper correction agent from a collection of correction agents each specialized for one scenario. Extensive experiments demonstrate the effectiveness of GenMAC, achieving state-of-the art performance in compositional text-to-video generation.

Can multi-agent communication pressure extract discrete, compositional representations of invisible physical properties from frozen video features? We show that agents communicating through a Gumbel-Softmax bottleneck with iterated learning develop positionally disentangled protocols for latent properties (elasticity, friction, mass ratio) without property labels or supervision on message structure. With 4 agents, 100% of 80 seeds converge to near-perfect compositionality (PosDis=0.999, holdout 98.3%). Controls confirm multi-agent structure -- not bandwidth or temporal coverage -- drives this effect. Causal intervention shows surgical property disruption (~15% drop on targeted property, <3% on others). A controlled backbone comparison reveals that the perceptual prior determines what is communicable: DINOv2 dominates on spatially-visible ramp physics (98.3% vs 95.1%), while V-JEPA 2 dominates on dynamics-only collision physics (87.4% vs 77.7%, d=2.74). Scale-matched (d=3.37) and frame-matched (d=6.53) controls attribute this gap entirely to video-native pretraining. The frozen protocol supports action-conditioned planning (91.5%) with counterfactual velocity reasoning (r=0.780). Validation on Physics 101 real camera footage confirms 85.6% mass-comparison accuracy on unseen objects, temporal dynamics contributing +11.2% beyond static appearance, agent-scaling compositionality replicating at 90% for 4 agents, and causal intervention extending to real video (d=1.87, p=0.022).

Robotic agents performing domestic chores by natural language directives are required to master the complex job of navigating environment and interacting with objects in the environments. The tasks given to the agents are often composite thus are challenging as completing them require to reason about multiple subtasks, e.g., bring a cup of coffee. To address the challenge, we propose to divide and conquer it by breaking the task into multiple subgoals and attend to them individually for better navigation and interaction. We call it Multi-level Compositional Reasoning Agent (MCR-Agent). Specifically, we learn a three-level action policy. At the highest level, we infer a sequence of human-interpretable subgoals to be executed based on language instructions by a high-level policy composition controller. At the middle level, we discriminatively control the agent's navigation by a master policy by alternating between a navigation policy and various independent interaction policies. Finally, at the lowest level, we infer manipulation actions with the corresponding object masks using the appropriate interaction policy. Our approach not only generates human interpretable subgoals but also achieves 2.03% absolute gain to comparable state of the arts in the efficiency metric (PLWSR in unseen set) without using rule-based planning or a semantic spatial memory.

Compositional generalization is crucial for artificial intelligence agents to solve complex vision-language reasoning tasks. Neuro-symbolic approaches have demonstrated promise in capturing compositional structures, but they face critical challenges: (a) reliance on predefined predicates for symbolic representations that limit adaptability, (b) difficulty in extracting predicates from raw data, and (c) using non-differentiable operations for combining primitive concepts. To address these issues, we propose NeSyCoCo, a neuro-symbolic framework that leverages large language models (LLMs) to generate symbolic representations and map them to differentiable neural computations. NeSyCoCo introduces three innovations: (a) augmenting natural language inputs with dependency structures to enhance the alignment with symbolic representations, (b) employing distributed word representations to link diverse, linguistically motivated logical predicates to neural modules, and (c) using the soft composition of normalized predicate scores to align symbolic and differentiable reasoning. Our framework achieves state-of-the-art results on the ReaSCAN and CLEVR-CoGenT compositional generalization benchmarks and demonstrates robust performance with novel concepts in the CLEVR-SYN benchmark.

Language-conditioned manipulation requires both precise contact-rich control and robust reasoning over language, scenes, and long horizons. End-to-end Vision-Language-Action (VLA) models provide strong local visuomotor skills, but they are trained on in-distribution task trajectories and often fail under deployment perturbations such as semantic retargeting, goal re-binding, spatial-layout shifts, and unstable local contacts. LLM coding agents provide complementary semantic and compositional reasoning, but purely analytic primitives struggle with irregular grasping, constrained placement, and articulated-object interaction. We present Harness VLA, a memory-augmented agentic framework that exposes a frozen VLA as a retryable contact-rich primitive and composes it with a small fixed library of analytic primitives for grounding, staging, transport, navigation, and release. Rather than expanding the skill library, the harness learns the operating range of these fixed primitives from task-specific execution traces, global success rules, and failure models. By lifting semantic re-grounding, non-contact execution, and VLA re-staging to the planner while reserving the frozen VLA for local contact-rich phases, Harness VLA extends pretrained VLAs beyond their original trajectory distribution without finetuning. Across perturbed tabletop, household kitchen, and clean-to-randomized bimanual manipulation, Harness VLA improves over the strongest relevant baselines by 38.6 and 25.4 percentage points on LIBERO-Pro and RoboCasa365, respectively, and reaches 58.4% on RoboTwin C2R.

Deep reinforcement learning has emerged as a powerful tool for obtaining high-performance policies. However, the safety of these policies has been a long-standing issue. One promising paradigm to guarantee safety is a shield, which shields a policy from making unsafe actions. However, computing a shield scales exponentially in the number of state variables. This is a particular concern in multi-agent systems with many agents. In this work, we propose a novel approach for multi-agent shielding. We address scalability by computing individual shields for each agent. The challenge is that typical safety specifications are global properties, but the shields of individual agents only ensure local properties. Our key to overcome this challenge is to apply assume-guarantee reasoning. Specifically, we present a sound proof rule that decomposes a (global, complex) safety specification into (local, simple) obligations for the shields of the individual agents. Moreover, we show that applying the shields during reinforcement learning significantly improves the quality of the policies obtained for a given training budget. We demonstrate the effectiveness and scalability of our multi-agent shielding framework in two case studies, reducing the computation time from hours to seconds and achieving fast learning convergence.

Retrieval is being redefined by agentic AI, demanding multimodal reasoning beyond conventional similarity-based paradigms. Composed Image Retrieval (CIR) exemplifies this shift as each query combines a reference image with textual modifications, requiring compositional understanding across modalities. While embedding-based CIR methods have achieved progress, they remain narrow in perspective, capturing limited cross-modal cues and lacking semantic reasoning. To address these limitations, we introduce XR, a training-free multi-agent framework that reframes retrieval as a progressively coordinated reasoning process. It orchestrates three specialized types of agents: imagination agents synthesize target representations through cross-modal generation, similarity agents perform coarse filtering via hybrid matching, and question agents verify factual consistency through targeted reasoning for fine filtering. Through progressive multi-agent coordination, XR iteratively refines retrieval to meet both semantic and visual query constraints, achieving up to a 38% gain over strong training-free and training-based baselines on FashionIQ, CIRR, and CIRCO, while ablations show each agent is essential. Code is available: https://01yzzyu.github.io/xr.github.io/.

A fundamental aspect of compositional reasoning in a video is associating people and their actions across time. Recent years have seen great progress in general-purpose vision or video models and a move towards long-video understanding. While exciting, we take a step back and ask: are current models good at compositional reasoning on short videos? To this end, we introduce VELOCITI, a benchmark to study Video-LLMs by disentangling and assessing the comprehension of agents, actions, and their associations across multiple events. We adopt the Video-Language Entailment setup and propose StrictVLE that requires correct classification (rather than ranking) of the positive and negative caption. We evaluate several models and observe that even the best, LLaVA-OneVision (44.5%) and Gemini-1.5-Pro (49.3%), are far from human accuracy at 93.0%. Results show that action understanding lags behind agents, and negative captions created using entities appearing in the video perform worse than those obtained from pure text manipulation. We also present challenges with ClassicVLE and multiple-choice (MC) evaluation, strengthening our preference for StrictVLE. Finally, we validate that our benchmark requires visual inputs of multiple frames making it ideal to study video-language compositional reasoning.

As AI systems evolve from passive models into autonomous active agents capable of initiating actions, collaborating, and delegating tasks, the traditional boundaries of software systems blur. Traditional authorization and delegation frameworks, built around fixed principals, explicit requests, and static scopes, are insufficient to govern agentic systems. Agentic AI demands richer authorization semantics: agents must inherit and delegate permissions, act under time-limited authority, and coordinate through shared protocols. Existing Identity and Access Management (IAM) systems fail to fully capture this notion of agency, lacking mechanisms for recursive delegation, contextual boundaries, and dynamic scoping as executable governance primitives. Unlike access delegation standards such as OAuth 2.0, we treat delegation as a contractual term rather than merely a static token-based consent credential. This paper proposes a compositional governance framework that introduces primitives indispensable for agentic AI. We define types of delegation and their permissions and accountability implications, and we introduce a notion of resource scope attenuation to bound agentic access envelopes. These concepts are expressed as general relational definitions that can be composed into existing authorization domains (e.g., financial systems). To operationalize this composition, we define a compositional operator that overlays new agentic semantics, such as recursive delegation chains, onto existing relational policies without rewriting them. We substantiate this framework through formal proofs and empirical evaluation, showing that it provides a formal yet practical foundation for accountable authorization in agentic AI systems.

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based materials-property prediction to test whether such agents can perform a task beyond model selection and hyperparameter optimization: the design of input descriptors. We introduce Automat, an autoresearch framework where a coding agent based on a large language model generates composition-only descriptors for chemical compounds and evaluates them using a random forest workflow. The agent is restricted to information derivable from chemical formulas and iteratively proposes, implements, and tests chemically motivated descriptor strategies. We apply Automat, with OpenAI Codex using GPT-5.5 as the coding agent, to the prediction of experimental band gaps in inorganic materials and Curie temperatures in ferromagnetic compounds. In both tasks, Automat improves over fractional-composition, Magpie, and combined fractional-composition/Magpie baselines, while producing descriptor families that are chemically interpretable. These results provide a demonstration that autoresearch agents can generate competitive, task-specific materials descriptors without manual feature engineering during the run. They also reveal current limitations, including descriptor redundancy, sensitivity to greedy feature expansion, and the need for explicit complexity control, descriptor pruning, and more sophisticated search strategies.

Text-to-3D asset generation has achieved significant optimization under the supervision of 2D diffusion priors. However, when dealing with compositional scenes, existing methods encounter several challenges: 1). failure to ensure that composite scene layouts comply with physical laws; 2). difficulty in accurately capturing the assets and relationships described in complex scene descriptions; 3). limited autonomous asset generation capabilities among layout approaches leveraging large language models (LLMs). To avoid these compromises, we propose a novel framework for compositional scene generation, PhiP-G, which seamlessly integrates generation techniques with layout guidance based on a world model. Leveraging LLM-based agents, PhiP-G analyzes the complex scene description to generate a scene graph, and integrating a multimodal 2D generation agent and a 3D Gaussian generation method for targeted assets creation. For the stage of layout, PhiP-G employs a physical pool with adhesion capabilities and a visual supervision agent, forming a world model for layout prediction and planning. Extensive experiments demonstrate that PhiP-G significantly enhances the generation quality and physical rationality of the compositional scenes. Notably, PhiP-G attains state-of-the-art (SOTA) performance in CLIP scores, achieves parity with the leading methods in generation quality as measured by the T^3Bench, and improves efficiency by 24x.

LLM-based agents show strong potential for long-horizon reasoning, yet their context size is limited by deployment factors (e.g., memory, latency, and cost), yielding a constrained context budget. As interaction histories grow, this induces a trade-off between retaining past information and staying within the context limit. To address this challenge, we propose Budget-Aware Context Management (BACM), which formulates context management as a sequential decision problem with a context budget constraint. It enables agents to assess the available budget before incorporating new observations and decide when and how much of the interaction history to compress. We further develop BACM-RL, an end-to-end curriculum-based reinforcement learning approach that learns compression strategies under varying context budgets. Experiments on compositional multi-objective QA and long-horizon web browsing benchmarks show that BACM-RL consistently outperforms prior methods across model scales and task complexities, achieving over 1.6times gains over strong baselines in high-complexity settings, while maintaining strong advantages as budgets shrink, where most methods exhibit a downward performance trend.

Language agents spend substantial inference time solving individual tasks, yet the experience acquired in one episode is often underutilized in future episodes. Continual learning expects an agent to accumulate reusable experience across a stream of tasks, improve over time, and avoid interference from irrelevant experiences. Unfortunately, existing benchmarks struggle to evaluate continual learning in language agents rigorously. Most efforts focus on retrieval and reasoning over long-context conversations or documents, while recent lifelong-adaptation benchmarks often rely on naive task streams with limited analysis of cross-task relationships, making it difficult to understand what an agent learns and reuses over time. This paper presents an evaluation framework AgentCL for continual learning in agents, centered on controlled task streams and metrics for transfer gains. AgentCL constructs compositional streams where earlier sub-solutions, evidence, or workflows are intentionally reusable in later tasks, and contrasts them with naive streams where such reusability is not guaranteed. We use the benchmark to evaluate non-parametric memory designs for continual learning. To diagnose how memory design choices affect continual learning, we develop MemProbe, a probing method that stores interactions, insights, and skills, while filtering unreliable experiences during consolidation. Empirical analysis across coding, deep research, and language understanding/reasoning tasks shows that naive streams offer limited ability to distinguish memory designs, whereas controlled streams more clearly distinguish their plasticity. Meanwhile, naive and held-out settings often yield limited gains and can expose memory-induced degradation. These results highlight the need for stronger memory designs that balance plasticity and stable reuse.

Real-world tool-using agents operate over long-horizon workflows with recurring structure and diverse demands, where effective behavior requires not only invoking atomic tools but also abstracting, and reusing higher-level tool compositions. However, existing benchmarks mainly measure instance-level success under static tool sets, offering limited insight into agents' ability to acquire such reusable skills. We address this gap by introducing SkillCraft, a benchmark explicitly stress-test agent ability to form and reuse higher-level tool compositions, where we call Skills. SkillCraft features realistic, highly compositional tool-use scenarios with difficulty scaled along both quantitative and structural dimensions, designed to elicit skill abstraction and cross-task reuse. We further propose a lightweight evaluation protocol that enables agents to auto-compose atomic tools into executable Skills, cache and reuse them inside and across tasks, thereby improving efficiency while accumulating a persistent library of reusable skills. Evaluating state-of-the-art agents on SkillCraft, we observe substantial efficiency gains, with token usage reduced by up to 80% by skill saving and reuse. Moreover, success rate strongly correlates with tool composition ability at test time, underscoring compositional skill acquisition as a core capability.

Advancing complex reasoning in large language models relies on high-quality, verifiable datasets, yet human annotation remains cost-prohibitive and difficult to scale. Current synthesis paradigms often face a recurring trade-off: maintaining structural validity typically restricts problem complexity, while relaxing constraints to increase difficulty frequently leads to inconsistent or unsolvable instances. To address this, we propose Agentic Proposing, a framework that models problem synthesis as a goal-driven sequential decision process where a specialized agent dynamically selects and composes modular reasoning skills. Through an iterative workflow of internal reflection and tool-use, we develop the Agentic-Proposer-4B using Multi-Granularity Policy Optimization (MGPO) to generate high-precision, verifiable training trajectories across mathematics, coding, and science. Empirical results demonstrate that downstream solvers trained on agent-synthesized data significantly outperform leading baselines and exhibit robust cross-domain generalization. Notably, a 30B solver trained on only 11,000 synthesized trajectories achieves a state-of-the-art 91.6% accuracy on AIME25, rivaling frontier-scale proprietary models such as GPT-5 and proving that a small volume of high-quality synthetic signals can effectively substitute for massive human-curated datasets.

Large language models are increasingly evolving from text generators into general agents capable of understanding user requests, invoking external tools, and completing complex tasks through interaction. However, existing agent benchmarks often focus on limited scenarios, tool ecosystems, or interaction formats, making it difficult to systematically characterize model capabilities across heterogeneous application settings. We introduce OmniaBench, a benchmark for evaluating general agents across diverse scenarios with explicit state spaces. We derive application-oriented scenario knowledge from app stores, product documents, industry resources, Web retrieval, and human refinement, forming a hierarchical taxonomy that spans ToC, ToB and ToE with 90 level-1 and 354 level-2 domains. Based on this taxonomy, we construct executable environments and synthesize single-turn and multi-turn tasks through four complementary routes: DAG, DAG-S, Solver, and Program. OmniaBench further introduces a ten-dimensional capability taxonomy and eight compositional atomic difficulty factors to support fine-grained evaluation and analysis. The resulting dataset contains 1,431 tasks, together with a challenging subset of 644 tasks designed to reduce evaluation cost and mitigate potential contamination of the full set after public release. The bench presents substantial challenges to current frontier models, with even Claude-Sonnet-5 and GPT-5.6-Sol achieving Overall Pass@1 scores of only 58.54 and 57.14, respectively. Further analyses reveal clear differences across domains and capabilities, as well as persistent limitations in planning, constraint maintenance, and adaptive correction. OmniaBench provides a broad and diagnostic benchmark for characterizing the capability boundaries of general agents.

Skill libraries enable large language model agents to reuse experience from past interactions, but most existing libraries store skills as isolated entries and retrieve them only by semantic similarity. This leads to two key challenges for compositional tasks. Firstly, an agent must identify not only relevant skills but also how they depend on and build upon each other. Secondly, it also makes library maintenance difficult, since the system lacks structural cues for deciding when skills should be merged, split, or removed. We propose SKILLGRAPH, a framework that represents reusable skills as nodes in a directed graph, with typed edges encoding prerequisite, enhancement, and co-occurrence relations. Given a new task, SKILLGRAPH retrieves not just individual skills, but an ordered skill subgraph that can guide multi-step decision making. The graph is continuously updated from agent trajectories and reinforcement learning feedback, allowing both the skill library and the agent policy to improve together. Experiments on ALFWorld, WebShop, and seven search-augmented QA tasks show that SKILLGRAPH achieves state-of-the-art performance against memory-augmented RL methods, with especially large gains on complex tasks that require composing multiple skills.

LLM-based agents are increasingly expected to handle real-world assistant tasks, yet existing benchmarks typically evaluate them under isolated sources of difficulty, such as a single environment or fully specified instructions. This leaves a substantial gap between current evaluation settings and the compositional challenges that arise in practical deployment. To address this gap, we introduce LiveClawBench, a benchmark to evaluate LLM agents on real-world assistant tasks. Based on an analysis of various real OpenClaw usage cases, we derive a Triple-Axis Complexity Framework that characterizes task difficulty along three dimensions: Environment Complexity, Cognitive Demand, and Runtime Adaptability. Guided by this framework, we construct a pilot benchmark with explicit complexity-factor annotations, covering real-world assistant tasks with compositional difficulty. Together, the framework and benchmark provide a principled foundation for evaluating LLM agents in realistic assistant settings, and establish a basis for future expansion across task domains and complexity axes. We are continuing to enrich our case collections to achieve more comprehensive domain and complexity coverage. The project page is at https://github.com/Mosi-AI/LiveClawBench.

Learning how the world works is central to building AI agents that can adapt to complex environments. Traditional world models based on deep learning demand vast amounts of training data, and do not flexibly update their knowledge from sparse observations. Recent advances in program synthesis using Large Language Models (LLMs) give an alternate approach which learns world models represented as source code, supporting strong generalization from little data. To date, application of program-structured world models remains limited to natural language and grid-world domains. We introduce a novel program synthesis method for effectively modeling complex, non-gridworld domains by representing a world model as an exponentially-weighted product of programmatic experts (PoE-World) synthesized by LLMs. We show that this approach can learn complex, stochastic world models from just a few observations. We evaluate the learned world models by embedding them in a model-based planning agent, demonstrating efficient performance and generalization to unseen levels on Atari's Pong and Montezuma's Revenge. We release our code and display the learned world models and videos of the agent's gameplay at https://topwasu.github.io/poe-world.

The rapid growth of AI agent ecosystems is transforming how complex tasks are delegated and executed, creating a new challenge of identifying suitable agents for a given task. Unlike traditional tools, agent capabilities are often compositional and execution-dependent, making them difficult to assess from textual descriptions alone. However, existing research and benchmarks typically assume well-specified functionalities, controlled candidate pools, or only executable task queries, leaving realistic agent search scenarios insufficiently studied. We introduce AgentSearchBench, a large-scale benchmark for agent search in the wild, built from nearly 10,000 real-world agents across multiple providers. The benchmark formalizes agent search as retrieval and reranking problems under both executable task queries and high-level task descriptions, and evaluates relevance using execution-grounded performance signals. Experiments reveal a consistent gap between semantic similarity and actual agent performance, exposing the limitations of description-based retrieval and reranking methods. We further show that lightweight behavioral signals, including execution-aware probing, can substantially improve ranking quality, highlighting the importance of incorporating execution signals into agent discovery. Our code is available at https://github.com/Bingo-W/AgentSearchBench.

Modern language agents must operate over long-horizon, multi-turn interactions, where they retrieve external information, adapt to observations, and answer interdependent queries. Yet, most LLM systems rely on full-context prompting, appending all past turns regardless of their relevance. This leads to unbounded memory growth, increased computational costs, and degraded reasoning performance on out-of-distribution input lengths. We introduce MEM1, an end-to-end reinforcement learning framework that enables agents to operate with constant memory across long multi-turn tasks. At each turn, MEM1 updates a compact shared internal state that jointly supports memory consolidation and reasoning. This state integrates prior memory with new observations from the environment while strategically discarding irrelevant or redundant information. To support training in more realistic and compositional settings, we propose a simple yet effective and scalable approach to constructing multi-turn environments by composing existing datasets into arbitrarily complex task sequences. Experiments across three domains, including internal retrieval QA, open-domain web QA, and multi-turn web shopping, show that MEM1-7B improves performance by 3.5x while reducing memory usage by 3.7x compared to Qwen2.5-14B-Instruct on a 16-objective multi-hop QA task, and generalizes beyond the training horizon. Our results demonstrate the promise of reasoning-driven memory consolidation as a scalable alternative to existing solutions for training long-horizon interactive agents, where both efficiency and performance are optimized.

AI-agent guardrails are memoryless: each message is judged in isolation, so an adversary who spreads a single attack across dozens of sessions slips past every session-bound detector because only the aggregate carries the payload. We make three contributions to cross-session threat detection. (1) Dataset. CSTM-Bench is 26 executable attack taxonomies classified by kill-chain stage and cross-session operation (accumulate, compose, launder, inject_on_reader), each bound to one of seven identity anchors that ground-truth "violation" as a policy predicate, plus matched Benign-pristine and Benign-hard confounders. Released on Hugging Face as intrinsec-ai/cstm-bench with two 54-scenario splits: dilution (compositional) and cross_session (12 isolation-invisible scenarios produced by a closed-loop rewriter that softens surface phrasing while preserving cross-session artefacts). (2) Measurement. Framing cross-session detection as an information bottleneck to a downstream correlator LLM, we find that a session-bound judge and a Full-Log Correlator concatenating every prompt into one long-context call both lose roughly half their attack recall moving from dilution to cross_session, well inside any frontier context window. Scope: 54 scenarios per shard, one correlator family (Anthropic Claude), no prompt optimisation; we release it to motivate larger, multi-provider datasets. (3) Algorithm and metric. A bounded-memory Coreset Memory Reader retaining highest-signal fragments at K=50 is the only reader whose recall survives both shards. Because ranker reshuffles break KV-cache prefix reuse, we promote CSR_prefix (ordered prefix stability, LLM-free) to a first-class metric and fuse it with detection into CSTM = 0.7 F_1(CSDA@action, precision) + 0.3 CSR_prefix, benchmarking rankers on a single Pareto of recall versus serving stability.

As AI agents integrate into enterprise applications, their evaluation demands benchmarks that reflect the complexity of real-world operations. Instead, existing benchmarks overemphasize open-domains such as code, use narrow accuracy metrics, and lack authentic complexity. We present UNDERWRITE, an expert-first, multi-turn insurance underwriting benchmark designed in close collaboration with domain experts to capture real-world enterprise challenges. UNDERWRITE introduces critical realism factors often absent in current benchmarks: proprietary business knowledge, noisy tool interfaces, and imperfect simulated users requiring careful information gathering. Evaluating 13 frontier models, we uncover significant gaps between research lab performance and enterprise readiness: the most accurate models are not the most efficient, models hallucinate domain knowledge despite tool access, and pass^k results show a 20% drop in performance. The results from UNDERWRITE demonstrate that expert involvement in benchmark design is essential for realistic agent evaluation, common agentic frameworks exhibit brittleness that skews performance reporting, and hallucination detection in specialized domains demands compositional approaches. Our work provides insights for developing benchmarks that better align with enterprise deployment requirements.

Recent advances in language model (LM) agents and function calling have enabled autonomous, feedback-driven systems to solve problems across various digital domains. To better understand the unique limitations of LM agents, we introduce RefactorBench, a benchmark consisting of 100 large handcrafted multi-file refactoring tasks in popular open-source repositories. Solving tasks within RefactorBench requires thorough exploration of dependencies across multiple files and strong adherence to relevant instructions. Every task is defined by 3 natural language instructions of varying specificity and is mutually exclusive, allowing for the creation of longer combined tasks on the same repository. Baselines on RefactorBench reveal that current LM agents struggle with simple compositional tasks, solving only 22% of tasks with base instructions, in contrast to a human developer with short time constraints solving 87%. Through trajectory analysis, we identify various unique failure modes of LM agents, and further explore the failure mode of tracking past actions. By adapting a baseline agent to condition on representations of state, we achieve a 43.9% improvement in solving RefactorBench tasks. We further extend our state-aware approach to encompass entire digital environments and outline potential directions for future research. RefactorBench aims to support the study of LM agents by providing a set of real-world, multi-hop tasks within the realm of code.

Recent studies have delved into constructing generalist agents for open-world embodied environments like Minecraft. Despite the encouraging results, existing efforts mainly focus on solving basic programmatic tasks, e.g., material collection and tool-crafting following the Minecraft tech-tree, treating the ObtainDiamond task as the ultimate goal. This limitation stems from the narrowly defined set of actions available to agents, requiring them to learn effective long-horizon strategies from scratch. Consequently, discovering diverse gameplay opportunities in the open world becomes challenging. In this work, we introduce ODYSSEY, a new framework that empowers Large Language Model (LLM)-based agents with open-world skills to explore the vast Minecraft world. ODYSSEY comprises three key parts: (1) An interactive agent with an open-world skill library that consists of 40 primitive skills and 183 compositional skills. (2) A fine-tuned LLaMA-3 model trained on a large question-answering dataset with 390k+ instruction entries derived from the Minecraft Wiki. (3) A new open-world benchmark includes thousands of long-term planning tasks, tens of dynamic-immediate planning tasks, and one autonomous exploration task. Extensive experiments demonstrate that the proposed ODYSSEY framework can effectively evaluate the planning and exploration capabilities of agents. All datasets, model weights, and code are publicly available to motivate future research on more advanced autonomous agent solutions.

As AI agents become increasingly capable of complex, long-horizon reasoning, rigorous and holistic evaluation is essential for measuring progress toward real-world healthcare applications. We introduce HealthAgentBench, a suite of 54 agentic healthcare tasks across 7 categories each with its unique environment. The benchmark suite spans diverse workflows throughout the patient journey and a broad range of modalities. Each task is designed to replicate an end-to-end clinical workflow: given minimal instructions, an agent must explore raw healthcare data, operate within a complex environment, and execute multi-step solutions that go beyond naive prompting. A final task success rate is reported to provide a single, interpretable metric for HealthAgentBench overall performance for each agent. Evaluating frontier agents on HealthAgentBench, we find that overall task success rate remains low, underscoring the difficulty of the suite. The strongest and the most cost effective agent, Codex GPT-5.5, achieves only approximately 42% success rate. Beyond aggregate performance, HealthAgentBench reveals nuanced strengths and weaknesses across task categories. Frontier agents show promise in automatically developing research modeling pipelines over EHR data, but medical imaging remains especially challenging, particularly for Claude Code models, while Codex GPT-5.5 shows emerging capability. Tasks that combine large search spaces with compositional reasoning requirements remain difficult for all current agents. Together, these results suggest that HealthAgentBench provides a challenging and realistic benchmark with substantial room for future progress. We release our benchmark at https://github.com/microsoft/HealthAgentBench.

Existing benchmarks for grounding language in interactive environments either lack real-world linguistic elements, or prove difficult to scale up due to substantial human involvement in the collection of data or feedback signals. To bridge this gap, we develop WebShop -- a simulated e-commerce website environment with 1.18 million real-world products and 12,087 crowd-sourced text instructions. Given a text instruction specifying a product requirement, an agent needs to navigate multiple types of webpages and issue diverse actions to find, customize, and purchase an item. WebShop provides several challenges for language grounding including understanding compositional instructions, query (re-)formulation, comprehending and acting on noisy text in webpages, and performing strategic exploration. We collect over 1,600 human demonstrations for the task, and train and evaluate a diverse range of agents using reinforcement learning, imitation learning, and pre-trained image and language models. Our best model achieves a task success rate of 29%, which outperforms rule-based heuristics (9.6%) but is far lower than human expert performance (59%). We also analyze agent and human trajectories and ablate various model components to provide insights for developing future agents with stronger language understanding and decision making abilities. Finally, we show that agents trained on WebShop exhibit non-trivial sim-to-real transfer when evaluated on amazon.com and ebay.com, indicating the potential value of WebShop in developing practical web-based agents that can operate in the wild.

The ability of large language models (LLMs) to mimic human-like intelligence has led to a surge in LLM-based autonomous agents. Though recent LLMs seem capable of planning and reasoning given user instructions, their effectiveness in applying these capabilities for autonomous task solving remains underexplored. This is especially true in enterprise settings, where automated agents hold the promise of a high impact. To fill this gap, we propose WorkArena++, a novel benchmark consisting of 682 tasks corresponding to realistic workflows routinely performed by knowledge workers. WorkArena++ is designed to evaluate the planning, problem-solving, logical/arithmetic reasoning, retrieval, and contextual understanding abilities of web agents. Our empirical studies across state-of-the-art LLMs and vision-language models (VLMs), as well as human workers, reveal several challenges for such models to serve as useful assistants in the workplace. In addition to the benchmark, we provide a mechanism to effortlessly generate thousands of ground-truth observation/action traces, which can be used for fine-tuning existing models. Overall, we expect this work to serve as a useful resource to help the community progress toward capable autonomous agents. The benchmark can be found at https://github.com/ServiceNow/WorkArena/tree/workarena-plus-plus.

Benefiting from language flexibility and compositionality, humans naturally intend to use language to command an embodied agent for complex tasks such as navigation and object manipulation. In this work, we aim to fill the blank of the last mile of embodied agents -- object manipulation by following human guidance, e.g., "move the red mug next to the box while keeping it upright." To this end, we introduce an Automatic Manipulation Solver (AMSolver) system and build a Vision-and-Language Manipulation benchmark (VLMbench) based on it, containing various language instructions on categorized robotic manipulation tasks. Specifically, modular rule-based task templates are created to automatically generate robot demonstrations with language instructions, consisting of diverse object shapes and appearances, action types, and motion constraints. We also develop a keypoint-based model 6D-CLIPort to deal with multi-view observations and language input and output a sequence of 6 degrees of freedom (DoF) actions. We hope the new simulator and benchmark will facilitate future research on language-guided robotic manipulation.

Spatial reasoning is foundational for Vision-Language Models (VLMs), particularly when deployed as Vision-Language-Action (VLA) agents in physical environments. However, existing benchmarks predominantly focus on elementary, single-hop relations, neglecting the multi-hop compositional reasoning and precise visual grounding essential for real-world scenarios. To address this, we introduce MultihopSpatial, offering three key contributions: (1) A comprehensive benchmark designed for multi-hop and compositional spatial reasoning, featuring 1- to 3-hop complex queries across diverse spatial perspectives. (2) Acc@50IoU, a complementary metric that simultaneously evaluates reasoning and visual grounding by requiring both answer selection and precise bounding box prediction - capabilities vital for robust VLA deployment. (3) MultihopSpatial-Train, a dedicated large-scale training corpus to foster spatial intelligence. Extensive evaluation of 37 state-of-the-art VLMs yields eight key insights, revealing that compositional spatial reasoning remains a formidable challenge. Finally, we demonstrate that reinforcement learning post-training on our corpus enhances both intrinsic VLM spatial reasoning and downstream embodied manipulation performance.

Despite rapid progress in building conversational AI agents, robustness is still largely untested. Small shifts in user behavior, such as being more impatient, incoherent, or skeptical, can cause sharp drops in agent performance, revealing how brittle current AI agents are. Today's benchmarks fail to capture this fragility: agents may perform well under standard evaluations but degrade spectacularly in more realistic and varied settings. We address this robustness testing gap by introducing TraitBasis, a lightweight, model-agnostic method for systematically stress testing AI agents. TraitBasis learns directions in activation space corresponding to steerable user traits (e.g., impatience or incoherence), which can be controlled, scaled, composed, and applied at inference time without any fine-tuning or extra data. Using TraitBasis, we extend tau-Bench to tau-Trait, where user behaviors are altered via controlled trait vectors. We observe on average a 2%-30% performance degradation on tau-Trait across frontier models, highlighting the lack of robustness of current AI agents to variations in user behavior. Together, these results highlight both the critical role of robustness testing and the promise of TraitBasis as a simple, data-efficient, and compositional tool. By powering simulation-driven stress tests and training loops, TraitBasis opens the door to building AI agents that remain reliable in the unpredictable dynamics of real-world human interactions. We have open-sourced tau-Trai across four domains: airline, retail, telecom, and telehealth, so the community can systematically QA their agents under realistic, behaviorally diverse intents and trait scenarios: https://github.com/collinear-ai/tau-trait.

Large Language Models (LLMs) have achieved high accuracy on complex commonsense and mathematical problems that involve the composition of multiple reasoning steps. However, current compositional benchmarks testing these skills tend to focus on either commonsense or math reasoning, whereas LLM agents solving real-world tasks would require a combination of both. In this work, we introduce an Agentic Commonsense and Math benchmark (AgentCoMa), where each compositional task requires a commonsense reasoning step and a math reasoning step. We test it on 61 LLMs of different sizes, model families, and training strategies. We find that LLMs can usually solve both steps in isolation, yet their accuracy drops by ~30% on average when the two are combined. This is a substantially greater performance gap than the one we observe in prior compositional benchmarks that combine multiple steps of the same reasoning type. In contrast, non-expert human annotators can solve the compositional questions and the individual steps in AgentCoMa with similarly high accuracy. Furthermore, we conduct a series of interpretability studies to better understand the performance gap, examining neuron patterns, attention maps and membership inference. Our work underscores a substantial degree of model brittleness in the context of mixed-type compositional reasoning and offers a test bed for future improvement.

A world model provides an agent with a representation of its environment, enabling it to predict the causal consequences of its actions. Current world models typically cannot directly and explicitly imitate the actual environment in front of a robot, often resulting in unrealistic behaviors and hallucinations that make them unsuitable for real-world robotics applications. To overcome those challenges, we propose to rethink robot world models as learnable digital twins. We introduce DreMa, a new approach for constructing digital twins automatically using learned explicit representations of the real world and its dynamics, bridging the gap between traditional digital twins and world models. DreMa replicates the observed world and its structure by integrating Gaussian Splatting and physics simulators, allowing robots to imagine novel configurations of objects and to predict the future consequences of robot actions thanks to its compositionality. We leverage this capability to generate new data for imitation learning by applying equivariant transformations to a small set of demonstrations. Our evaluations across various settings demonstrate significant improvements in accuracy and robustness by incrementing actions and object distributions, reducing the data needed to learn a policy and improving the generalization of the agents. As a highlight, we show that a real Franka Emika Panda robot, powered by DreMa's imagination, can successfully learn novel physical tasks from just a single example per task variation (one-shot policy learning). Our project page can be found in: https://dreamtomanipulate.github.io/.

Existing benchmarks for conversational AI agents simulate single-control environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in modifying the state of the (shared) world. In order to address this gap, we introduce tau^2-bench, with four key contributions: 1) A novel Telecom dual-control domain modeled as a Dec-POMDP, where both agent and user make use of tools to act in a shared, dynamic environment that tests both agent coordination and communication, 2) A compositional task generator that programmatically creates diverse, verifiable tasks from atomic components, ensuring domain coverage and controlled complexity, 3) A reliable user simulator tightly coupled with the environment, whose behavior is constrained by tools and observable states, improving simulation fidelity, 4) Fine-grained analysis of agent performance through multiple ablations including separating errors arising from reasoning vs communication/coordination. In particular, our experiments show significant performance drops when agents shift from no-user to dual-control, highlighting the challenges of guiding users. Overall, tau^2-bench provides a controlled testbed for agents that must both reason effectively and guide user actions.

As large language models (LLMs) become integral to multi-agent systems, new privacy risks emerge that extend beyond memorization, direct inference, or single-turn evaluations. In particular, seemingly innocuous responses, when composed across interactions, can cumulatively enable adversaries to recover sensitive information, a phenomenon we term compositional privacy leakage. We present the first systematic study of such compositional privacy leaks and possible mitigation methods in multi-agent LLM systems. First, we develop a framework that models how auxiliary knowledge and agent interactions jointly amplify privacy risks, even when each response is benign in isolation. Next, to mitigate this, we propose and evaluate two defense strategies: (1) Theory-of-Mind defense (ToM), where defender agents infer a questioner's intent by anticipating how their outputs may be exploited by adversaries, and (2) Collaborative Consensus Defense (CoDef), where responder agents collaborate with peers who vote based on a shared aggregated state to restrict sensitive information spread. Crucially, we balance our evaluation across compositions that expose sensitive information and compositions that yield benign inferences. Our experiments quantify how these defense strategies differ in balancing the privacy-utility trade-off. We find that while chain-of-thought alone offers limited protection to leakage (~39% sensitive blocking rate), our ToM defense substantially improves sensitive query blocking (up to 97%) but can reduce benign task success. CoDef achieves the best balance, yielding the highest Balanced Outcome (79.8%), highlighting the benefit of combining explicit reasoning with defender collaboration. Together, our results expose a new class of risks in collaborative LLM deployments and provide actionable insights for designing safeguards against compositional, context-driven privacy leakage.

Tool-augmented LLM agents commonly rely on step-wise atomic tool calls, where each invocation, observation, and value transfer is exposed in the main reasoning trace. This creates an execution-granularity mismatch: locally deterministic tool workflows are unfolded into repeated model-visible decisions, consuming context and forcing the model to manage low-level dataflow in the trace. We introduce HyperTool, a unified executable MCP-style tool interface that changes the model-visible unit of tool execution. A model invokes HyperTool with a code block that can call existing tools through their original schemas, manipulate returned values, and pass intermediate results locally, folding deterministic tool subroutines into a single outer call. To train models to use this interface, we synthesize HyperTool-format trajectories from cross-tool compositional tasks and verify them in real MCP environments. On MCP-Universe, HyperTool improves average accuracy from 15.69\% to 35.29\% on Qwen3-32B and from 9.93\% to 33.33\% on Qwen3-8B, and surpass GPT-OSS and Kimi-k2.5 on average accuracy, showing that our HyperTool can substantially improve multi-step tool use.

While long-horizon agentic tasks require language agents to perform dozens of sequential decisions, training such agents with reinforcement learning remains challenging. We identify two root causes: credit misattribution, where correct early actions are penalized due to terminal failures, and sample inefficiency, where scarce successful trajectories result in near-total loss of learning signal. We introduce a milestone-guided policy learning framework, BEACON, that leverages the compositional structure of long-horizon tasks to ensure precise credit assignment. BEACON partitions trajectories at milestone boundaries, applies temporal reward shaping within segments to credit partial progress, and estimates advantages at dual scales to prevent distant failures from corrupting the evaluation of local actions. On ALFWorld, WebShop, and ScienceWorld, BEACON consistently outperforms GRPO and GiGPO. Notably, on long-horizon ALFWorld tasks, BEACON achieves 92.9% success rate, nearly doubling GRPO's 53.5%, while improving effective sample utilization from 23.7% to 82.0%. These results establish milestone-anchored credit assignment as an effective paradigm for training long-horizon language agents. Code is available at https://github.com/ZJU-REAL/BEACON.

Designing effective embodied multi-agent systems is critical for solving complex real-world tasks across domains. Due to the complexity of multi-agent embodied systems, existing methods fail to automatically generate safe and efficient training data for such systems. To this end, we propose the concept of compositional constraints for embodied multi-agent systems, addressing the challenges arising from collaboration among embodied agents. We design various interfaces tailored to different types of constraints, enabling seamless interaction with the physical world. Leveraging compositional constraints and specifically designed interfaces, we develop an automated data collection framework for embodied multi-agent systems and introduce the first benchmark for embodied multi-agent manipulation, RoboFactory. Based on RoboFactory benchmark, we adapt and evaluate the method of imitation learning and analyzed its performance in different difficulty agent tasks. Furthermore, we explore the architectures and training strategies for multi-agent imitation learning, aiming to build safe and efficient embodied multi-agent systems.

We tackle real-world problems with complex structures beyond the pixel-based game or simulator. We formulate it as a few-shot reinforcement learning problem where a task is characterized by a subtask graph that defines a set of subtasks and their dependencies that are unknown to the agent. Different from the previous meta-rl methods trying to directly infer the unstructured task embedding, our multi-task subtask graph inferencer (MTSGI) first infers the common high-level task structure in terms of the subtask graph from the training tasks, and use it as a prior to improve the task inference in testing. Our experiment results on 2D grid-world and complex web navigation domains show that the proposed method can learn and leverage the common underlying structure of the tasks for faster adaptation to the unseen tasks than various existing algorithms such as meta reinforcement learning, hierarchical reinforcement learning, and other heuristic agents.

Tool agents--LLM-based systems that interact with external APIs--offer a way to execute real-world tasks. However, as tasks become increasingly complex, these agents struggle to identify and call the correct APIs in the proper order. To tackle this problem, we investigate converting API documentation into a structured API graph that captures API dependencies and leveraging it for multi-tool queries that require compositional API calls. To support this, we introduce In-N-Out, the first expert-annotated dataset of API graphs built from two real-world API benchmarks and their documentation. Using In-N-Out significantly improves performance on both tool retrieval and multi-tool query generation, nearly doubling that of LLMs using documentation alone. Moreover, graphs generated by models fine-tuned on In-N-Out close 90% of this gap, showing that our dataset helps models learn to comprehend API documentation and parameter relationships. Our findings highlight the promise of using explicit API graphs for tool agents and the utility of In-N-Out as a valuable resource. We release our dataset and code at https://github.com/holi-lab/In-N-Out-API-Graph.

Training giant models from scratch for each complex task is resource- and data-inefficient. To help develop models that can leverage existing systems, we propose a new challenge: Learning to solve complex tasks by communicating with existing agents (or models) in natural language. We design a synthetic benchmark, CommaQA, with three complex reasoning tasks (explicit, implicit, numeric) designed to be solved by communicating with existing QA agents. For instance, using text and table QA agents to answer questions such as "Who had the longest javelin throw from USA?". We show that black-box models struggle to learn this task from scratch (accuracy under 50\%) even with access to each agent's knowledge and gold facts supervision. In contrast, models that learn to communicate with agents outperform black-box models, reaching scores of 100\% when given gold decomposition supervision. However, we show that the challenge of learning to solve complex tasks by communicating with existing agents without relying on any auxiliary supervision or data still remains highly elusive. We release CommaQA, along with a compositional generalization test split, to advance research in this direction. Dataset and Code available at https://github.com/allenai/commaqa.

Deep neural networks drive the success of natural language processing. A fundamental property of language is its compositional structure, allowing humans to systematically produce forms for new meanings. For humans, languages with more compositional and transparent structures are typically easier to learn than those with opaque and irregular structures. However, this learnability advantage has not yet been shown for deep neural networks, limiting their use as models for human language learning. Here, we directly test how neural networks compare to humans in learning and generalizing different languages that vary in their degree of compositional structure. We evaluate the memorization and generalization capabilities of a large language model and recurrent neural networks, and show that both deep neural networks exhibit a learnability advantage for more structured linguistic input: neural networks exposed to more compositional languages show more systematic generalization, greater agreement between different agents, and greater similarity to human learners.

Existing tool-use benchmarks for LLM agents are overwhelmingly linear: our analysis of six benchmarks shows 55 to 100% of instances are simple chains of 2 to 5 steps. We introduce The Amazing Agent Race (AAR), a benchmark featuring directed acyclic graph (DAG) puzzles (or "legs") with fork-merge tool chains. We release 1,400 instances across two variants: sequential (800 legs) and compositional (600 DAG legs). Agents must navigate Wikipedia, execute multi-step tool chains, and aggregate results into a verifiable answer. Legs are procedurally generated from Wikipedia seeds across four difficulty levels with live-API validation. Three complementary metrics (finish-line accuracy, pit-stop visit rate, and roadblock completion rate) separately diagnose navigation, tool-use, and arithmetic failures. Evaluating three agent frameworks on 1,400 legs, the best achieves only 37.2% accuracy. Navigation errors dominate (27 to 52% of trials) while tool-use errors remain below 17%, and agent architecture matters as much as model scale (Claude Code matches Codex CLI at 37% with 6x fewer tokens). The compositional structure of AAR reveals that agents fail not at calling tools but at navigating to the right pages, a blind spot invisible to linear benchmarks. The project page can be accessed at: https://minnesotanlp.github.io/the-amazing-agent-race

In order to communicate, humans flatten a complex representation of ideas and their attributes into a single word or a sentence. We investigate the impact of representation learning in artificial agents by developing graph referential games. We empirically show that agents parametrized by graph neural networks develop a more compositional language compared to bag-of-words and sequence models, which allows them to systematically generalize to new combinations of familiar features.

Recent vision-language models have strong perceptual ability but their implicit reasoning is hard to explain and easily generates hallucinations on complex queries. Compositional methods improve interpretability, but most rely on a single agent or hand-crafted pipeline and cannot decide when to collaborate across complementary agents or compete among overlapping ones. We introduce MATA (Multi-Agent hierarchical Trainable Automaton), a multi-agent system presented as a hierarchical finite-state automaton for visual reasoning whose top-level transitions are chosen by a trainable hyper agent. Each agent corresponds to a state in the hyper automaton, and runs a small rule-based sub-automaton for reliable micro-control. All agents read and write a shared memory, yielding transparent execution history. To supervise the hyper agent's transition policy, we build transition-trajectory trees and transform to memory-to-next-state pairs, forming the MATA-SFT-90K dataset for supervised finetuning (SFT). The finetuned LLM as the transition policy understands the query and the capacity of agents, and it can efficiently choose the optimal agent to solve the task. Across multiple visual reasoning benchmarks, MATA achieves the state-of-the-art results compared with monolithic and compositional baselines. The code and dataset are available at https://github.com/ControlNet/MATA.

Large language model (LLM) agents are increasingly tasked with complex real-world analysis (e.g., in financial forecasting, scientific discovery), yet their reasoning suffers from stochastic instability and lacks a verifiable, compositional structure. To address this, we introduce Analytica, a novel agent architecture built on the principle of Soft Propositional Reasoning (SPR). SPR reframes complex analysis as a structured process of estimating the soft truth values of different outcome propositions, allowing us to formally model and minimize the estimation error in terms of its bias and variance. Analytica operationalizes this through a parallel, divide-and-conquer framework that systematically reduces both sources of error. To reduce bias, problems are first decomposed into a tree of subpropositions, and tool-equipped LLM grounder agents are employed, including a novel Jupyter Notebook agent for data-driven analysis, that help to validate and score facts. To reduce variance, Analytica recursively synthesizes these grounded leaves using robust linear models that average out stochastic noise with superior efficiency, scalability, and enable interactive "what-if" scenario analysis. Our theoretical and empirical results on economic, financial, and political forecasting tasks show that Analytica improves 15.84% accuracy on average over diverse base models, achieving 71.06% accuracy with the lowest variance of 6.02% when working with a Deep Research grounder. Our Jupyter Notebook grounder shows strong cost-effectiveness that achieves a close 70.11% accuracy with 90.35% less cost and 52.85% less time. Analytica also exhibits highly noise-resilient and stable performance growth as the analysis depth increases, with a near-linear time complexity, as well as good adaptivity to open-weight LLMs and scientific domains.

Manipulating objects is a hallmark of human intelligence, and an important task in domains such as robotics. In principle, Reinforcement Learning (RL) offers a general approach to learn object manipulation. In practice, however, domains with more than a few objects are difficult for RL agents due to the curse of dimensionality, especially when learning from raw image observations. In this work we propose a structured approach for visual RL that is suitable for representing multiple objects and their interaction, and use it to learn goal-conditioned manipulation of several objects. Key to our method is the ability to handle goals with dependencies between the objects (e.g., moving objects in a certain order). We further relate our architecture to the generalization capability of the trained agent, based on a theoretical result for compositional generalization, and demonstrate agents that learn with 3 objects but generalize to similar tasks with over 10 objects. Videos and code are available on the project website: https://sites.google.com/view/entity-centric-rl

Allowing humans to interactively train artificial agents to understand language instructions is desirable for both practical and scientific reasons, but given the poor data efficiency of the current learning methods, this goal may require substantial research efforts. Here, we introduce the BabyAI research platform to support investigations towards including humans in the loop for grounded language learning. The BabyAI platform comprises an extensible suite of 19 levels of increasing difficulty. The levels gradually lead the agent towards acquiring a combinatorially rich synthetic language which is a proper subset of English. The platform also provides a heuristic expert agent for the purpose of simulating a human teacher. We report baseline results and estimate the amount of human involvement that would be required to train a neural network-based agent on some of the BabyAI levels. We put forward strong evidence that current deep learning methods are not yet sufficiently sample efficient when it comes to learning a language with compositional properties.

Coordinating multiple embodied agents in dynamic environments remains a core challenge in artificial intelligence, requiring both perception-driven reasoning and scalable cooperation strategies. While recent works have leveraged large language models (LLMs) for multi-agent planning, a few have begun to explore vision-language models (VLMs) for visual reasoning. However, these VLM-based approaches remain limited in their support for diverse embodiment types. In this work, we introduce VIKI-Bench, the first hierarchical benchmark tailored for embodied multi-agent cooperation, featuring three structured levels: agent activation, task planning, and trajectory perception. VIKI-Bench includes diverse robot embodiments, multi-view visual observations, and structured supervision signals to evaluate reasoning grounded in visual inputs. To demonstrate the utility of VIKI-Bench, we propose VIKI-R, a two-stage framework that fine-tunes a pretrained vision-language model (VLM) using Chain-of-Thought annotated demonstrations, followed by reinforcement learning under multi-level reward signals. Our extensive experiments show that VIKI-R significantly outperforms baselines method across all task levels. Furthermore, we show that reinforcement learning enables the emergence of compositional cooperation patterns among heterogeneous agents. Together, VIKI-Bench and VIKI-R offer a unified testbed and method for advancing multi-agent, visual-driven cooperation in embodied AI systems.

To enable progress towards egocentric agents capable of understanding everyday tasks specified in natural language, we propose a benchmark and a synthetic dataset called Egocentric Task Verification (EgoTV). EgoTV contains multi-step tasks with multiple sub-task decompositions, state changes, object interactions, and sub-task ordering constraints, in addition to abstracted task descriptions that contain only partial details about ways to accomplish a task. We also propose a novel Neuro-Symbolic Grounding (NSG) approach to enable the causal, temporal, and compositional reasoning of such tasks. We demonstrate NSG's capability towards task tracking and verification on our EgoTV dataset and a real-world dataset derived from CrossTask (CTV). Our contributions include the release of the EgoTV and CTV datasets, and the NSG model for future research on egocentric assistive agents.

Generative models have achieved impressive fidelity in text-to-image synthesis, yet struggle with complex compositional prompts involving multiple constraints. We introduce M3 (Multi-Modal, Multi-Agent, Multi-Round), a training-free framework that systematically resolves these failures through iterative inference-time refinement. M3 orchestrates off-the-shelf foundation models in a robust multi-agent loop: a Planner decomposes prompts into verifiable checklists, while specialized Checker, Refiner, and Editor agents surgically correct constraints one at a time, with a Verifier ensuring monotonic improvement. Applied to open-source models, M3 achieves remarkable results on the challenging OneIG-EN benchmark, with our Qwen-Image+M3 surpassing commercial flagship systems including Imagen4 (0.515) and Seedream 3.0 (0.530), reaching state-of-the-art performance (0.532 overall). This demonstrates that intelligent multi-agent reasoning can elevate open-source models beyond proprietary alternatives. M3 also substantially improves GenEval compositional metrics, effectively doubling spatial reasoning performance on hardened test sets. As a plug-and-play module compatible with any pre-trained T2I model, M3 establishes a new paradigm for compositional generation without costly retraining.

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.

Compositional reinforcement learning is a promising approach for training policies to perform complex long-horizon tasks. Typically, a high-level task is decomposed into a sequence of subtasks and a separate policy is trained to perform each subtask. In this paper, we focus on the problem of training subtask policies in a way that they can be used to perform any task; here, a task is given by a sequence of subtasks. We aim to maximize the worst-case performance over all tasks as opposed to the average-case performance. We formulate the problem as a two agent zero-sum game in which the adversary picks the sequence of subtasks. We propose two RL algorithms to solve this game: one is an adaptation of existing multi-agent RL algorithms to our setting and the other is an asynchronous version which enables parallel training of subtask policies. We evaluate our approach on two multi-task environments with continuous states and actions and demonstrate that our algorithms outperform state-of-the-art baselines.

Music composition represents the creative side of humanity, and itself is a complex task that requires abilities to understand and generate information with long dependency and harmony constraints. While demonstrating impressive capabilities in STEM subjects, current LLMs easily fail in this task, generating ill-written music even when equipped with modern techniques like In-Context-Learning and Chain-of-Thoughts. To further explore and enhance LLMs' potential in music composition by leveraging their reasoning ability and the large knowledge base in music history and theory, we propose ComposerX, an agent-based symbolic music generation framework. We find that applying a multi-agent approach significantly improves the music composition quality of GPT-4. The results demonstrate that ComposerX is capable of producing coherent polyphonic music compositions with captivating melodies, while adhering to user instructions.

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential to accelerate scientific discovery through automation. We also review LLM-based autonomous agents: LLMs with a broader set of tools to interact with their surrounding environment. These agents perform diverse tasks such as paper scraping, interfacing with automated laboratories, and synthesis planning. As agents are an emerging topic, we extend the scope of our review of agents beyond chemistry and discuss across any scientific domains. This review covers the recent history, current capabilities, and design of LLMs and autonomous agents, addressing specific challenges, opportunities, and future directions in chemistry. Key challenges include data quality and integration, model interpretability, and the need for standard benchmarks, while future directions point towards more sophisticated multi-modal agents and enhanced collaboration between agents and experimental methods. Due to the quick pace of this field, a repository has been built to keep track of the latest studies: https://github.com/ur-whitelab/LLMs-in-science.

Text-to-image (T2I) generative models, such as Stable Diffusion and DALL-E, have shown remarkable proficiency in producing high-quality, realistic, and natural images from textual descriptions. However, these models sometimes fail to accurately capture all the details specified in the input prompts, particularly concerning entities, attributes, and spatial relationships. This issue becomes more pronounced when the prompt contains novel or complex compositions, leading to what are known as compositional generation failure modes. Recently, a new open-source diffusion-based T2I model, FLUX, has been introduced, demonstrating strong performance in high-quality image generation. Additionally, autoregressive T2I models like LlamaGen have claimed competitive visual quality performance compared to diffusion-based models. In this study, we evaluate the compositional generation capabilities of these newly introduced models against established models using the T2I-CompBench benchmark. Our findings reveal that LlamaGen, as a vanilla autoregressive model, is not yet on par with state-of-the-art diffusion models for compositional generation tasks under the same criteria, such as model size and inference time. On the other hand, the open-source diffusion-based model FLUX exhibits compositional generation capabilities comparable to the state-of-the-art closed-source model DALL-E3.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

Compositional generalization requires models to produce novel configurations from familiar parts. In diffusion models, prior compositional generation methods typically assume that the relevant concepts or conditioning signals are already available. We instead ask whether a pretrained diffusion model can discover query-specific concepts from the time-indexed scores it learns for the noisy marginals p_t(x_t) and compose them at test time. Given a single out-of-distribution query, our method performs gradient ascent on s_θ(x_t,t) approx nabla_{x_t}log p_t(x_t) at multiple noising timesteps to recover local density modes, maps these modes into clean-space Gaussians, greedily selects relevant prototypes with a submodular likelihood objective, and combines them into a product-of-experts (PoE) teacher model with an analytic score. This teacher model can be sampled directly through classifier-free guidance or used to generate a sample pool for training a new class embedding and low-rank adapter. On held-out composition benchmarks built from ColorMNIST and CelebA, both the analytic PoE sampler and the low-rank adapted model outperform query-only and nearest trained-class baselines. These results suggest that the time-indexed score geometry of the diffusion model contains reusable density-mode concepts that support test-time compositional generation without a predefined concept library.

Multimodal Large Language Models (MLLMs) are increasingly used to carry out visual workflows such as navigating GUIs, where the next step depends on verified visual compositional conditions (e.g., "if a permission dialog appears and the color of the interface is green, click Allow") and the process may branch or terminate early. Yet this capability remains under-evaluated: existing benchmarks focus on shallow-compositions or independent-constraints rather than deeply chained compositional conditionals. In this paper, we introduce MM-CondChain, a benchmark for visually grounded deep compositional reasoning. Each benchmark instance is organized as a multi-layer reasoning chain, where every layer contains a non-trivial compositional condition grounded in visual evidence and built from multiple objects, attributes, or relations. To answer correctly, an MLLM must perceive the image in detail, reason over multiple visual elements at each step, and follow the resulting execution path to the final outcome. To scalably construct such workflow-style data, we propose an agentic synthesis pipeline: a Planner orchestrates layer-by-layer generation of compositional conditions, while a Verifiable Programmatic Intermediate Representation (VPIR) ensures each layer's condition is mechanically verifiable. A Composer then assembles these verified layers into complete instructions. Using this pipeline, we construct benchmarks across three visual domains: natural images, data charts, and GUI trajectories. Experiments on a range of MLLMs show that even the strongest model attains only 53.33 Path F1, with sharp drops on hard negatives and as depth or predicate complexity grows, confirming that deep compositional reasoning remains a fundamental challenge.

We propose MotionAgent, enabling fine-grained motion control for text-guided image-to-video generation. The key technique is the motion field agent that converts motion information in text prompts into explicit motion fields, providing flexible and precise motion guidance. Specifically, the agent extracts the object movement and camera motion described in the text and converts them into object trajectories and camera extrinsics, respectively. An analytical optical flow composition module integrates these motion representations in 3D space and projects them into a unified optical flow. An optical flow adapter takes the flow to control the base image-to-video diffusion model for generating fine-grained controlled videos. The significant improvement in the Video-Text Camera Motion metrics on VBench indicates that our method achieves precise control over camera motion. We construct a subset of VBench to evaluate the alignment of motion information in the text and the generated video, outperforming other advanced models on motion generation accuracy.

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited knowledge retention, and large cloud-based language models plagued by privacy risks and high inference costs. To bridge this gap, we introduce ChemCRAFT, a novel framework leveraging agentic reinforcement learning to decouple chemical reasoning from knowledge storage. Instead of forcing the model to memorize vast chemical data, our approach empowers the language model to interact with a sandbox for precise information retrieval. This externalization of knowledge allows a locally deployable small model to achieve superior performance with minimal inference costs. To enable small language models for agent-calling ability, we build an agentic trajectory construction pipeline and a comprehensive chemical-agent sandbox. Based on sandbox interactions, we constructed ChemToolDataset, the first large-scale chemical tool trajectory dataset. Simultaneously, we propose SMILES-GRPO to build a dense chemical reward function, promoting the model's ability to call chemical agents. Evaluations across diverse aspects of drug design show that ChemCRAFT outperforms current cloud-based LLMs in molecular structure analysis, molecular optimization, and synthesis pathway prediction, demonstrating that scientific reasoning is not solely an emergent ability of model scale, but a learnable policy of tool orchestration. This work establishes a cost-effective and privacy-preserving paradigm for AI-aided chemistry, opening new avenues for accelerating molecular discovery with locally deployable agents. Code available at https://github.com/HowardLi1984/ChemCraft.

Advanced diffusion models like RPG, Stable Diffusion 3 and FLUX have made notable strides in compositional text-to-image generation. However, these methods typically exhibit distinct strengths for compositional generation, with some excelling in handling attribute binding and others in spatial relationships. This disparity highlights the need for an approach that can leverage the complementary strengths of various models to comprehensively improve the composition capability. To this end, we introduce IterComp, a novel framework that aggregates composition-aware model preferences from multiple models and employs an iterative feedback learning approach to enhance compositional generation. Specifically, we curate a gallery of six powerful open-source diffusion models and evaluate their three key compositional metrics: attribute binding, spatial relationships, and non-spatial relationships. Based on these metrics, we develop a composition-aware model preference dataset comprising numerous image-rank pairs to train composition-aware reward models. Then, we propose an iterative feedback learning method to enhance compositionality in a closed-loop manner, enabling the progressive self-refinement of both the base diffusion model and reward models over multiple iterations. Theoretical proof demonstrates the effectiveness and extensive experiments show our significant superiority over previous SOTA methods (e.g., Omost and FLUX), particularly in multi-category object composition and complex semantic alignment. IterComp opens new research avenues in reward feedback learning for diffusion models and compositional generation. Code: https://github.com/YangLing0818/IterComp

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density functions. This interpretation has motivated classifier-based and classifier-free guidance as methods for post-hoc control of diffusion models. In this work, we build upon these ideas using the score-based interpretation of diffusion models, and explore alternative ways to condition, modify, and reuse diffusion models for tasks involving compositional generation and guidance. In particular, we investigate why certain types of composition fail using current techniques and present a number of solutions. We conclude that the sampler (not the model) is responsible for this failure and propose new samplers, inspired by MCMC, which enable successful compositional generation. Further, we propose an energy-based parameterization of diffusion models which enables the use of new compositional operators and more sophisticated, Metropolis-corrected samplers. Intriguingly we find these samplers lead to notable improvements in compositional generation across a wide set of problems such as classifier-guided ImageNet modeling and compositional text-to-image generation.

Our goal is to synthesize 3D human motions given textual inputs describing simultaneous actions, for example 'waving hand' while 'walking' at the same time. We refer to generating such simultaneous movements as performing 'spatial compositions'. In contrast to temporal compositions that seek to transition from one action to another, spatial compositing requires understanding which body parts are involved in which action, to be able to move them simultaneously. Motivated by the observation that the correspondence between actions and body parts is encoded in powerful language models, we extract this knowledge by prompting GPT-3 with text such as "what are the body parts involved in the action <action name>?", while also providing the parts list and few-shot examples. Given this action-part mapping, we combine body parts from two motions together and establish the first automated method to spatially compose two actions. However, training data with compositional actions is always limited by the combinatorics. Hence, we further create synthetic data with this approach, and use it to train a new state-of-the-art text-to-motion generation model, called SINC ("SImultaneous actioN Compositions for 3D human motions"). In our experiments, that training with such GPT-guided synthetic data improves spatial composition generation over baselines. Our code is publicly available at https://sinc.is.tue.mpg.de/.

General-purpose computer-use agents have shown impressive performance across diverse digital environments. However, our new benchmark, OSExpert-Eval, indicates they remain far less helpful than human experts. Although inference-time scaling enables adaptation, these agents complete complex tasks inefficiently with degraded performance, transfer poorly to unseen UIs, and struggle with fine-grained action sequences. To solve the problem, we introduce a GUI-based depth-first search (GUI-DFS) exploration algorithm to comprehensively explore and verify an environment's unit functions. The agent then exploits compositionality between unit skills to self-construct a curriculum for composite tasks. To support fine-grained actions, we curate a database of action primitives for agents to discover during exploration; these are saved as a skill set once the exploration is complete. We use the learned skills to improve the agent's performance and efficiency by (1) enriching agents with ready-to-use procedural knowledge, allowing them to plan only once for long trajectories and generate accurate actions, and (2) enabling them to end inference-time scaling earlier by realizing their boundary of capabilities. Extensive experiments show that our environment-learned agent takes a meaningful step toward expert-level computer use, achieving a around 20 percent performance gain on OSExpert-Eval and closing the efficiency gap to humans by around 80 percent

Recent large-scale generative models learned on big data are capable of synthesizing incredible images yet suffer from limited controllability. This work offers a new generation paradigm that allows flexible control of the output image, such as spatial layout and palette, while maintaining the synthesis quality and model creativity. With compositionality as the core idea, we first decompose an image into representative factors, and then train a diffusion model with all these factors as the conditions to recompose the input. At the inference stage, the rich intermediate representations work as composable elements, leading to a huge design space (i.e., exponentially proportional to the number of decomposed factors) for customizable content creation. It is noteworthy that our approach, which we call Composer, supports various levels of conditions, such as text description as the global information, depth map and sketch as the local guidance, color histogram for low-level details, etc. Besides improving controllability, we confirm that Composer serves as a general framework and facilitates a wide range of classical generative tasks without retraining. Code and models will be made available.

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.

Large Language Models (LLMs) and agent-based systems often struggle with compositional generalization due to a data bottleneck in which complex skill combinations follow a long-tailed, power-law distribution, limiting both instruction-following performance and generalization in agent-centric tasks. To address this challenge, we propose STEPS, a Skill Taxonomy guided Entropy-based Post-training data Synthesis framework for generating compositionally challenging data. STEPS explicitly targets compositional generalization by uncovering latent relationships among skills and organizing them into an interpretable, hierarchical skill taxonomy using structural information theory. Building on this taxonomy, we formulate data synthesis as a constrained information maximization problem, selecting skill combinations that maximize marginal structural information within the hierarchy while preserving semantic coherence. Experiments on challenging instruction-following benchmarks show that STEPS outperforms existing data synthesis baselines, while also yielding improved compositional generalization in downstream agent-based evaluations.

Human cognition exhibits systematic compositionality, the algebraic ability to generate infinite novel combinations from finite learned components, which is the key to understanding and reasoning about complex logic. In this work, we investigate the compositionality of large language models (LLMs) in mathematical reasoning. Specifically, we construct a new dataset MathTrap by introducing carefully designed logical traps into the problem descriptions of MATH and GSM8K. Since problems with logical flaws are quite rare in the real world, these represent "unseen" cases to LLMs. Solving these requires the models to systematically compose (1) the mathematical knowledge involved in the original problems with (2) knowledge related to the introduced traps. Our experiments show that while LLMs possess both components of requisite knowledge, they do not spontaneously combine them to handle these novel cases. We explore several methods to mitigate this deficiency, such as natural language prompts, few-shot demonstrations, and fine-tuning. Additionally, we test the recently released OpenAI o1 model and find that human-like `slow thinking' helps improve the compositionality of LLMs. Overall, systematic compositionality remains an open challenge for large language models.

Designing effective agentic systems requires the seamless composition and integration of agents, tools, and models within dynamic and uncertain environments. Most existing methods rely on static, semantic retrieval approaches for tool or agent discovery. However, effective reuse and composition of existing components remain challenging due to incomplete capability descriptions and the limitations of retrieval methods. Component selection suffers because the decisions are not based on capability, cost, and real-time utility. To address these challenges, we introduce a structured, automated framework for agentic system composition that is inspired by the knapsack problem. Our framework enables a composer agent to systematically identify, select, and assemble an optimal set of agentic components by jointly considering performance, budget constraints, and compatibility. By dynamically testing candidate components and modeling their utility in real-time, our approach streamlines the assembly of agentic systems and facilitates scalable reuse of resources. Empirical evaluation with Claude 3.5 Sonnet across five benchmarking datasets shows that our online-knapsack-based composer consistently lies on the Pareto frontier, achieving higher success rates at significantly lower component costs compared to our baselines. In the single-agent setup, the online knapsack composer shows a success rate improvement of up to 31.6% in comparison to the retrieval baselines. In multi-agent systems, the online knapsack composer increases success rate from 37% to 87% when agents are selected from an agent inventory of 100+ agents. The substantial performance gap confirms the robust adaptability of our method across diverse domains and budget constraints.

Large Language Models (LLMs) have exhibited significant potential in performing diverse tasks, including the ability to call functions or use external tools to enhance their performance. While current research on function calling by LLMs primarily focuses on single-turn interactions, this paper addresses the overlooked necessity for LLMs to engage in multi-turn function calling--critical for handling compositional, real-world queries that require planning with functions but not only use functions. To facilitate this, we introduce an approach, BUTTON, which generates synthetic compositional instruction tuning data via bottom-up instruction construction and top-down trajectory generation. In the bottom-up phase, we generate simple atomic tasks based on real-world scenarios and build compositional tasks using heuristic strategies based on atomic tasks. Corresponding functions are then developed for these compositional tasks. The top-down phase features a multi-agent environment where interactions among simulated humans, assistants, and tools are utilized to gather multi-turn function calling trajectories. This approach ensures task compositionality and allows for effective function and trajectory generation by examining atomic tasks within compositional tasks. We produce a dataset BUTTONInstruct comprising 8k data points and demonstrate its effectiveness through extensive experiments across various LLMs.

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled with perception, computation, action, and memory tools, these agentic AI systems could integrate diverse biomedical data, execute tasks, carry out experiments via robotic platforms, and iteratively refine hypotheses in closed loops. We provide a conceptual and technical overview of agentic AI architectures, ranging from ReAct and Reflection to Supervisor and Swarm systems, and illustrate their applications across key stages of drug discovery, including literature synthesis, toxicity prediction, automated protocol generation, small-molecule synthesis, drug repurposing, and end-to-end decision-making. To our knowledge, this represents the first comprehensive work to present real-world implementations and quantifiable impacts of agentic AI systems deployed in operational drug discovery settings. Early implementations demonstrate substantial gains in speed, reproducibility, and scalability, compressing workflows that once took months into hours while maintaining scientific traceability. We discuss the current challenges related to data heterogeneity, system reliability, privacy, and benchmarking, and outline future directions towards technology in support of science and translation.

Compositional actions consist of dynamic (verbs) and static (objects) concepts. Humans can easily recognize unseen compositions using the learned concepts. For machines, solving such a problem requires a model to recognize unseen actions composed of previously observed verbs and objects, thus requiring so-called compositional generalization ability. To facilitate this research, we propose a novel Zero-Shot Compositional Action Recognition (ZS-CAR) task. For evaluating the task, we construct a new benchmark, Something-composition (Sth-com), based on the widely used Something-Something V2 dataset. We also propose a novel Component-to-Composition (C2C) learning method to solve the new ZS-CAR task. C2C includes an independent component learning module and a composition inference module. Last, we devise an enhanced training strategy to address the challenges of component variations between seen and unseen compositions and to handle the subtle balance between learning seen and unseen actions. The experimental results demonstrate that the proposed framework significantly surpasses the existing compositional generalization methods and sets a new state-of-the-art. The new Sth-com benchmark and code are available at https://github.com/RongchangLi/ZSCAR_C2C.

Large monolithic generative models trained on massive amounts of data have become an increasingly dominant approach in AI research. In this paper, we argue that we should instead construct large generative systems by composing smaller generative models together. We show how such a compositional generative approach enables us to learn distributions in a more data-efficient manner, enabling generalization to parts of the data distribution unseen at training time. We further show how this enables us to program and construct new generative models for tasks completely unseen at training. Finally, we show that in many cases, we can discover separate compositional components from data.

The chemical reaction recommendation is to select proper reaction condition parameters for chemical reactions, which is pivotal to accelerating chemical science. With the rapid development of large language models (LLMs), there is growing interest in leveraging their reasoning and planning capabilities for reaction condition recommendation. Despite their success, existing methods rarely explain the rationale behind the recommended reaction conditions, limiting their utility in high-stakes scientific workflows. In this work, we propose ChemMAS, a multi-agent system that reframes condition prediction as an evidence-based reasoning task. ChemMAS decomposes the task into mechanistic grounding, multi-channel recall, constraint-aware agentic debate, and rationale aggregation. Each decision is backed by interpretable justifications grounded in chemical knowledge and retrieved precedents. Experiments show that ChemMAS achieves 20-35% gains over domain-specific baselines and outperforms general-purpose LLMs by 10-15% in Top-1 accuracy, while offering falsifiable, human-trustable rationales, which establishes a new paradigm for explainable AI in scientific discovery.

The fine-tuning of deep pre-trained models has revealed compositional properties, with multiple specialized modules that can be arbitrarily composed into a single, multi-task model. However, identifying the conditions that promote compositionality remains an open issue, with recent efforts concentrating mainly on linearized networks. We conduct a theoretical study that attempts to demystify compositionality in standard non-linear networks through the second-order Taylor approximation of the loss function. The proposed formulation highlights the importance of staying within the pre-training basin to achieve composable modules. Moreover, it provides the basis for two dual incremental training algorithms: the one from the perspective of multiple models trained individually, while the other aims to optimize the composed model as a whole. We probe their application in incremental classification tasks and highlight some valuable skills. In fact, the pool of incrementally learned modules not only supports the creation of an effective multi-task model but also enables unlearning and specialization in certain tasks. Code available at https://github.com/aimagelab/mammoth.

To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However, their evaluations are narrow in scope, leaving a large gap in understanding the benefits of tools across diverse chemistry tasks. To bridge this gap, we develop ChemAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemAgent does not consistently outperform its base LLMs without tools. Our error analysis with a chemistry expert suggests that: For specialized chemistry tasks, such as synthesis prediction, we should augment agents with specialized tools; however, for general chemistry questions like those in exams, agents' ability to reason correctly with chemistry knowledge matters more, and tool augmentation does not always help.

Multi-agent systems have emerged as a powerful paradigm for automating scientific discovery. To differentiate agent behavior in the multi-agent system, current frameworks typically assign generic role-based personas such as ''reviewer'' or ''writer'' or rely on coarse grained keyword-based personas. While functional, this approach oversimplifies how human scientists operate, whose contributions are shaped by their unique research trajectories. In response, we propose INDIBATOR, a framework for molecular discovery that grounds agents in individualized scientist profiles constructed from two modalities: publication history for literature-derived knowledge and molecular history for structural priors. These agents engage in multi-turn debate through proposal, critique, and voting phases. Our evaluation demonstrates that these fine-grained individuality-grounded agents consistently outperform systems relying on coarse-grained personas, achieving competitive or state-of-the-art performance. These results validate that capturing the ``scientific DNA'' of individual agents is essential for high-quality discovery.

Post-training pipelines that combine supervised fine-tuning (SFT) with reinforcement learning (RL) have emerged as the key recipe for transforming large language models (LLMs) into robust reasoners. We argue that this combined success is driven by compositional generalization, which we formalize through a hierarchical latent selection model. In this framework, reasoning traces are generated by a cascade of discrete latent selection variables corresponding to reusable atomic modules, including both skills (local operations) and routing mechanisms (how intermediate information is selected, reused, and composed). Within this model, we theoretically show that SFT and RL play asymmetric, complementary roles: SFT supplies the raw module materials in compositional traces, and RL decomposes those traces to identify the latent atomic modules and enable compositional generalization. We design controlled experiments to validate this theory. Our results demonstrate that RL can extract atomic modules from compound traces supplied by SFT and recombine them to solve new configurations. Moreover, we find that training on compound traces yields stronger generalization than training on isolated atomic modules. Finally, we investigate the relationship between SFT and RL data and identify an effective protocol in which SFT ensures coverage of all atomic modules through compositional traces, while RL focuses on novel compositions outside the SFT support to drive exploration.

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.

Large language models (LLMs) face challenges in solving complex mathematical problems that require comprehensive capacities to parse the statements, associate domain knowledge, perform compound logical reasoning, and integrate the intermediate rationales. Tackling all these problems once could be arduous for LLMs, thus leading to confusion in generation. In this work, we explore the potential of enhancing LLMs with agents by meticulous decomposition and modeling of mathematical reasoning process. Specifically, we propose a formal description of the mathematical solving and extend LLMs with an agent-based zero-shot framework named Planner-Reasoner-Executor-Reflector (PRER). We further provide and implement two MathAgents that define the logical forms and inherent relations via a pool of actions in different grains and orientations: MathAgent-M adapts its actions to LLMs, while MathAgent-H aligns with humankind. Experiments on miniF2F and MATH have demonstrated the effectiveness of PRER and proposed MathAgents, achieving an increase of 12.3%(53.9%66.2%) on the MiniF2F, 9.2% (49.8%59.0%) on MATH, and 13.2%(23.2%35.4%) for level-5 problems of MATH against GPT-4. Further analytical results provide more insightful perspectives on exploiting the behaviors of LLMs as agents.

It is desirable for an agent to be able to solve a rich variety of problems that can be specified through language in the same environment. A popular approach towards obtaining such agents is to reuse skills learned in prior tasks to generalise compositionally to new ones. However, this is a challenging problem due to the curse of dimensionality induced by the combinatorially large number of ways high-level goals can be combined both logically and temporally in language. To address this problem, we propose a framework where an agent first learns a sufficient set of skill primitives to achieve all high-level goals in its environment. The agent can then flexibly compose them both logically and temporally to provably achieve temporal logic specifications in any regular language, such as regular fragments of linear temporal logic. This provides the agent with the ability to map from complex temporal logic task specifications to near-optimal behaviours zero-shot. We demonstrate this experimentally in a tabular setting, as well as in a high-dimensional video game and continuous control environment. Finally, we also demonstrate that the performance of skill machines can be improved with regular off-policy reinforcement learning algorithms when optimal behaviours are desired.

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/.

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in Electronic-structure Reasoning (MASTER), an active learning framework where large language models autonomously design, execute, and interpret atomistic simulations. In MASTER, a multimodal system translates natural language into density functional theory workflows, while higher-level reasoning agents guide discovery through a hierarchy of strategies, including a single agent baseline and three multi-agent approaches: peer review, triage-ranking, and triage-forms. Across two chemical applications, CO adsorption on Cu-surface transition metal (M) adatoms and on M-N-C catalysts, reasoning-driven exploration reduces required atomistic simulations by up to 90% relative to trial-and-error selection. Reasoning trajectories reveal chemically grounded decisions that cannot be explained by stochastic sampling or semantic bias. Altogether, multi-agent collaboration accelerates materials discovery and marks a new paradigm for autonomous scientific exploration.

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.

While knowledge distillation has become a mature field for compressing large language models (LLMs) into smaller ones by aligning their outputs or internal representations, the distillation of LLM-based agents, which involve planning, memory, and tool use, remains relatively underexplored. Existing agent distillation methods typically replay full teacher trajectories or imitate step-by-step teacher tool usage, but they often struggle to train student agents to dynamically plan and act in novel environments. We propose AgentDistill, a novel, training-free agent distillation framework that enables efficient and scalable knowledge transfer via direct reuse of Model-Context-Protocols (MCPs), which are structured and reusable task-solving modules autonomously generated by teacher agents. The reuse of these distilled MCPs enables student agents to generalize their capabilities across domains and solve new problems with minimal supervision or human intervention. Experiments on biomedical and mathematical benchmarks demonstrate that our distilled student agents, built on small language models, can achieve performance comparable to advanced systems using large LLMs such as OctoTools (GPT-4o), highlighting the effectiveness of our framework in building scalable and cost-efficient intelligent agents.

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

Multi-agent systems built on large language models have shown strong performance on complex reasoning tasks, yet most work focuses on agent roles and orchestration while treating inter-agent communication as a fixed interface. Latent communication through internal representations such as key-value caches offers a promising alternative to text-based protocols, but existing approaches do not jointly optimize communication with multi-agent reasoning. Therefore we propose DiffMAS, a training framework that treats latent communication as a learnable component of multi-agent systems. DiffMAS performs parameter-efficient supervised training over multi-agent latent trajectories, enabling agents to jointly learn how information should be encoded and interpreted across interactions. Experiments on mathematical reasoning, scientific QA, code generation, and commonsense benchmarks show that DiffMAS consistently improves reasoning accuracy and decoding stability over single-agent inference, text-based multi-agent systems, and prior latent communication methods, achieving 26.7% on AIME24, 20.2% on GPQA-Diamond, and consistent gains across reasoning benchmarks.

Causal reasoning and compositional reasoning are two core aspirations in generative AI. Measuring the extent of these behaviors requires principled evaluation methods. We explore a unified perspective that considers both behaviors simultaneously, termed compositional causal reasoning (CCR): the ability to infer how causal measures compose and, equivalently, how causal quantities propagate through graphs. We instantiate a framework for the systematic evaluation of CCR for the average treatment effect and the probability of necessity and sufficiency. As proof of concept, we demonstrate the design of CCR tasks for language models in the LLama, Phi, and GPT families. On a math word problem, our framework revealed a range of taxonomically distinct error patterns. Additionally, CCR errors increased with the complexity of causal paths for all models except o1.

Large Language Models (LLMs) demonstrate remarkable capabilities in various reasoning tasks. However, they encounter significant challenges when it comes to scientific reasoning, particularly in physics, which requires not only mathematical reasoning but also factual and conceptual understanding. When addressing complex physics problems, LLMs typically face three key issues: problem miscomprehension, incorrect concept application, and computational errors. While each of these problems can be addressed individually, there is a need for a generalized approach that can tackle all three issues simultaneously. To address this, we introduce Mixture of Refinement Agents (MoRA), a novel agentic refinement framework that iteratively refines the LLM generated base solution by correcting the aforementioned errors, resulting in a significant performance improvement for open-source LLMs. Our approach aims to bridge the gap between opensource LLMs and GPT-4o by utilizing the latter as error identifier to guide these refinement agents. We evaluate our approach on the SciEval and MMLU subsets along with our own physics dataset (PhysicsQA). MoRA significantly improves the performance of Llama-3-70B and Gemma-2-27B on these datasets, achieving up to a 16% increase in final answer accuracy.

Multi-agent systems commonly distribute tasks among specialized, autonomous agents, yet they often lack mechanisms to replace or reassign underperforming agents in real time. Inspired by the free-agency model of Major League Baseball, the Reinforcement Learning Free Agent (RLFA) algorithm introduces a reward-based mechanism to detect and remove agents exhibiting persistent underperformance and seamlessly insert more capable ones. Each agent internally uses a mixture-of-experts (MoE) approach, delegating incoming tasks to specialized sub-models under the guidance of a gating function. A primary use case is fraud detection, where RLFA promptly swaps out an agent whose detection accuracy dips below a preset threshold. A new agent is tested in a probationary mode, and upon demonstrating superior performance, fully replaces the underperformer. This dynamic, free-agency cycle ensures sustained accuracy, quicker adaptation to emerging threats, and minimal disruption to ongoing operations. By continually refreshing its roster of agents, the system fosters ongoing improvements and more resilient collaboration in multi-agent Generative AI environments.

Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent framework that automates the entire end-to-end OpenFOAM workflow from a single natural language prompt. Our key innovations address critical gaps in existing systems: 1. An Comprehensive End-to-End Simulation Automation: Foam-Agent is the first system to manage the full simulation pipeline, including advanced pre-processing with a versatile Meshing Agent capable of handling external mesh files and generating new geometries via Gmsh, automatic generation of HPC submission scripts, and post-simulation visualization via ParaView. 2. Composable Service Architecture: Going beyond a monolithic agent, the framework uses Model Context Protocol (MCP) to expose its core functions as discrete, callable tools. This allows for flexible integration and use by other agentic systems, such as Claude-code, for more exploratory workflows. 3. High-Fidelity Configuration Generation: We achieve superior accuracy through a Hierarchical Multi-Index RAG for precise context retrieval and a dependency-aware generation process that ensures configuration consistency. Evaluated on a benchmark of 110 simulation tasks, Foam-Agent achieves an 88.2% success rate with Claude 3.5 Sonnet, significantly outperforming existing frameworks (55.5% for MetaOpenFOAM). Foam-Agent dramatically lowers the expertise barrier for CFD, demonstrating how specialized multi-agent systems can democratize complex scientific computing. The code is public at https://github.com/csml-rpi/Foam-Agent.

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow support and infrastructure to remain competitive. We describe iterated decomposition, a human-in-the-loop workflow for developing and refining compositional LM programs. We improve the performance of compositions by zooming in on failing components and refining them through decomposition, additional context, chain of thought, etc. To support this workflow, we develop ICE, an open-source tool for visualizing the execution traces of LM programs. We apply iterated decomposition to three real-world tasks and improve the accuracy of LM programs over less compositional baselines: describing the placebo used in a randomized controlled trial (25% to 65%), evaluating participant adherence to a medical intervention (53% to 70%), and answering NLP questions on the Qasper dataset (38% to 69%). These applications serve as case studies for a workflow that, if automated, could keep ML systems interpretable and safe even as they scale to increasingly complex tasks.

Compositionality, the notion that the meaning of an expression is constructed from the meaning of its parts and syntactic rules, permits the infinite productivity of human language. For the first time, artificial language models (LMs) are able to match human performance in a number of compositional generalization tasks. However, much remains to be understood about the representational mechanisms underlying these abilities. We take a high-level geometric approach to this problem by relating the degree of compositionality in a dataset to the intrinsic dimensionality of its representations under an LM, a measure of feature complexity. We find not only that the degree of dataset compositionality is reflected in representations' intrinsic dimensionality, but that the relationship between compositionality and geometric complexity arises due to learned linguistic features over training. Finally, our analyses reveal a striking contrast between linear and nonlinear dimensionality, showing that they respectively encode formal and semantic aspects of linguistic composition.

Language agents have shown strong promise for task automation. Realizing this promise for increasingly complex, long-horizon tasks has driven the rise of a sub-agent-as-tools paradigm for multi-turn task solving. However, existing designs still lack a dynamic abstraction view of sub-agents, thereby hurting adaptability. We address this challenge with a unified, framework-agnostic agent abstraction that models any agent as a tuple Instruction, Context, Tools, Model. This tuple acts as a compositional recipe for capabilities, enabling the system to spawn specialized executors for each task on demand. Building on this abstraction, we introduce an agentic system AOrchestra, where the central orchestrator concretizes the tuple at each step: it curates task-relevant context, selects tools and models, and delegates execution via on-the-fly automatic agent creation. Such designs enable reducing human engineering efforts, and remain framework-agnostic with plug-and-play support for diverse agents as task executors. It also enables a controllable performance-cost trade-off, allowing the system to approach Pareto-efficient. Across three challenging benchmarks (GAIA, SWE-Bench, Terminal-Bench), AOrchestra achieves 16.28% relative improvement against the strongest baseline when paired with Gemini-3-Flash. The code is available at: https://github.com/FoundationAgents/AOrchestra

AI agents are increasingly used to solve complex, multi-step tasks, but existing multi-agent frameworks remain brittle as workflows grow in scale and depth. Small errors at intermediate stages can propagate through agent interactions, while insufficient grounding and weak verification mechanisms further limit reliability. We present Meta-Agent, a two-phase framework that automatically constructs and executes specialized multi-agent systems from natural-language task descriptions. In the construction phase, a task planner decomposes a problem into a directed acyclic graph of agent specifications with explicit input/output contracts and verification criteria. A web search module grounds each specification with external evidence, and a code generation module produces system prompts and tool configurations. A construction-time verification stage then validates generated artifacts and triggers targeted regeneration when failures are detected. In the execution phase, a coordinator dispatches subtasks across the agent graph while execution-time verification gates intermediate outputs. We further introduce a three-level error attribution mechanism that distinguishes local, upstream, and structural failures, enabling targeted recovery strategies ranging from localized retries to partial re-execution and re-decomposition. We evaluate Meta-Agent across coding, contextual learning, and open-ended reasoning tasks. Experiments against strong multi-agent baselines and ablation studies demonstrate consistent improvements in task success rate, error recovery, and workflow stability. The results highlight the importance of tightly integrating planning, grounding, and verification for building reliable multi-agent systems.

The goal of image composition is merging a foreground object into a background image to obtain a realistic composite image. Recently, generative composition methods are built on large pretrained diffusion models, due to their unprecedented image generation ability. They train a model on abundant pairs of foregrounds and backgrounds, so that it can be directly applied to a new pair of foreground and background at test time. However, the generated results often lose the foreground details and exhibit noticeable artifacts. In this work, we propose an embarrassingly simple approach named DreamCom inspired by DreamBooth. Specifically, given a few reference images for a subject, we finetune text-guided inpainting diffusion model to associate this subject with a special token and inpaint this subject in the specified bounding box. We also construct a new dataset named MureCom well-tailored for this task.

Diffusion methods have been proven to be very effective to generate images while conditioning on a text prompt. However, and although the quality of the generated images is unprecedented, these methods seem to struggle when trying to generate specific image compositions. In this paper we present Mixture of Diffusers, an algorithm that builds over existing diffusion models to provide a more detailed control over composition. By harmonizing several diffusion processes acting on different regions of a canvas, it allows generating larger images, where the location of each object and style is controlled by a separate diffusion process.

Large-scale verifiable prompts underpin the success of Reinforcement Learning with Verifiable Rewards (RLVR), but they contain many uninformative examples and are costly to expand further. Recent studies focus on better exploiting limited training data by prioritizing hard prompts whose rollout pass rate is 0. However, easy prompts with a pass rate of 1 also become increasingly prevalent as training progresses, thereby reducing the effective data size. To mitigate this, we propose Composition-RL, a simple yet useful approach for better utilizing limited verifiable prompts targeting pass-rate-1 prompts. More specifically, Composition-RL automatically composes multiple problems into a new verifiable question and uses these compositional prompts for RL training. Extensive experiments across model sizes from 4B to 30B show that Composition-RL consistently improves reasoning capability over RL trained on the original dataset. Performance can be further boosted with a curriculum variant of Composition-RL that gradually increases compositional depth over training. Additionally, Composition-RL enables more effective cross-domain RL by composing prompts drawn from different domains. Codes, datasets, and models are available at https://github.com/XinXU-USTC/Composition-RL.

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

Compositional understanding is crucial for human intelligence, yet it remains unclear whether contemporary vision models exhibit it. The dominant machine learning paradigm is built on the premise that scaling data and model sizes will improve out-of-distribution performance, including compositional generalization. We test this premise through controlled experiments that systematically vary data scale, concept diversity, and combination coverage. We find that compositional generalization is driven by data diversity, not mere data scale. Increased combinatorial coverage forces models to discover a linearly factored representational structure, where concepts decompose into additive components. We prove this structure is key to efficiency, enabling perfect generalization from few observed combinations. Evaluating pretrained models (DINO, CLIP), we find above-random yet imperfect performance, suggesting partial presence of this structure. Our work motivates stronger emphasis on constructing diverse datasets for compositional generalization, and considering the importance of representational structure that enables efficient compositional learning. Code available at https://github.com/oshapio/visual-compositional-generalization.

Multi-agent systems (MAS) extend large language models (LLMs) from independent single-model reasoning to coordinative system-level intelligence. While existing LLM agents depend on text-based mediation for reasoning and communication, we take a step forward by enabling models to collaborate directly within the continuous latent space. We introduce LatentMAS, an end-to-end training-free framework that enables pure latent collaboration among LLM agents. In LatentMAS, each agent first performs auto-regressive latent thoughts generation through last-layer hidden embeddings. A shared latent working memory then preserves and transfers each agent's internal representations, ensuring lossless information exchange. We provide theoretical analyses establishing that LatentMAS attains higher expressiveness and lossless information preservation with substantially lower complexity than vanilla text-based MAS. In addition, empirical evaluations across 9 comprehensive benchmarks spanning math and science reasoning, commonsense understanding, and code generation show that LatentMAS consistently outperforms strong single-model and text-based MAS baselines, achieving up to 14.6% higher accuracy, reducing output token usage by 70.8%-83.7%, and providing 4x-4.3x faster end-to-end inference. These results demonstrate that our new latent collaboration framework enhances system-level reasoning quality while offering substantial efficiency gains without any additional training. Code and data are fully open-sourced at https://github.com/Gen-Verse/LatentMAS.

A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want reasoning models to generalize beyond their training distribution, and ideally to generalize compositionally: combine atomic reasoning skills to solve harder, unseen reasoning tasks. We take a step towards compositional generalization of reasoning skills when addressing a target compositional task that has no labeled CoT data. We find that simply training models on CoT data of atomic tasks leads to limited generalization, but minimally modifying CoT formats of constituent atomic tasks to be composable can lead to improvements. We can train "atomic CoT" models on the atomic tasks with Composable CoT data and combine them with multitask learning or model merging for better zero-shot performance on the target compositional task. Such a combined model can be further bootstrapped on a small amount of compositional data using rejection sampling fine-tuning (RFT). Results on string operations and natural language skill compositions show that training LLMs on Composable CoT outperforms multitask learning and continued fine-tuning baselines within a given training data budget.

Large language models (LLMs) have empowered AI agents to tackle increasingly complex tasks. However, most existing agents remain limited to static planning and brittle interactions, falling short of true collaboration or adaptive reasoning. We introduce ProSEA, a modular, general-purpose multi-agent framework designed for iterative problem solving through exploration and plan evolution. ProSEA features a hierarchical architecture in which a Manager Agent orchestrates domain-specialized Expert Agents, decomposes tasks, and adaptively replans based on structured feedback from failed attempts. Unlike prior systems, ProSEA agents report not only success or failure but also detailed reasons for failure and newly discovered constraints, enabling dynamic plan refinement informed by exploratory traces. The framework operates autonomously but supports seamless integration with human collaborators when needed. Experiments on the challenging FinanceBench benchmark demonstrate that ProSEA, even without human feedback, outperforms state-of-the-art baselines and achieves robust performance across reasoning-heavy tasks. These results underscore ProSEA's potential as a foundation for more transparent, adaptive, and human-aligned AI agents.

Complex chemical space and limited knowledge scope with biases holds immense challenge for human scientists, yet in automated materials discovery. Existing intelligent methods relies more on numerical computation, leading to inefficient exploration and results with hard-interpretability. To bridge this gap, we introduce a principles-guided material discovery system powered by language inferential multi-agent system (MAS), namely PriM. Our framework integrates automated hypothesis generation with experimental validation in a roundtable system of MAS, enabling systematic exploration while maintaining scientific rigor. Based on our framework, the case study of nano helix demonstrates higher materials exploration rate and property value while providing transparent reasoning pathways. This approach develops an automated-and-transparent paradigm for material discovery, with broad implications for rational design of functional materials. Code is publicly available at our https://github.com/amair-lab/PriM{GitHub}.

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents due to their generalized capabilities. Current approaches either have LLM-based agents imitate expert-provided trajectories step-by-step, requiring human supervision, which is hard to scale and limits environmental exploration; or they let agents explore and learn in isolated environments, resulting in specialist agents with limited generalization. In this paper, we take the first step towards building generally-capable LLM-based agents with self-evolution ability. We identify a trinity of ingredients: 1) diverse environments for agent exploration and learning, 2) a trajectory set to equip agents with basic capabilities and prior knowledge, and 3) an effective and scalable evolution method. We propose AgentGym, a new framework featuring a variety of environments and tasks for broad, real-time, uni-format, and concurrent agent exploration. AgentGym also includes a database with expanded instructions, a benchmark suite, and high-quality trajectories across environments. Next, we propose a novel method, AgentEvol, to investigate the potential of agent self-evolution beyond previously seen data across tasks and environments. Experimental results show that the evolved agents can achieve results comparable to SOTA models. We release the AgentGym suite, including the platform, dataset, benchmark, checkpoints, and algorithm implementations. The AgentGym suite is available on https://github.com/WooooDyy/AgentGym.

We consider the problem of eliciting compositional generalization capabilities in large language models (LLMs) with a novel type of prompting strategy. Compositional generalization empowers the LLMs to solve problems that are harder than the ones they have seen (i.e., easy-to-hard generalization), which is a critical reasoning capability of human-like intelligence. However, even the current state-of-the-art LLMs still struggle with this form of reasoning. To bridge this gap, we propose skills-in-context (SKiC) prompting, which instructs LLMs how to compose basic skills to resolve more complex problems. We find that it is crucial to demonstrate both the skills and the compositional examples within the same prompting context. With as few as two examplars, our SKiC prompting initiates strong synergies between skills and their composition capabilities. Notably, it empowers LLMs to solve unseen problems that require innovative skill compositions, achieving near-perfect generalization on a broad range of challenging compositionality tasks. Intriguingly, SKiC prompting unlocks the latent potential of LLMs, enabling them to leverage pre-existing internal skills acquired during earlier pre-training stages, even when these skills are not explicitly presented in the prompting context. This results in the capability of LLMs to solve unseen complex problems by activating and composing internal competencies. With such prominent features, SKiC prompting is able to achieve state-of-the-art performance on challenging mathematical reasoning benchmarks (e.g., MATH).

Multi-agent systems (MAS) composed of large language models often exhibit improved problem-solving performance despite operating on identical information. In this work, we provide a formal explanation for this phenomenon grounded in operator theory and constrained optimization. We model each agent as enforcing a distinct family of validity constraints on a shared solution state, and show that a MAS implements a factorized composition of constraint-enforcement operators. Under mild conditions, these dynamics converge to invariant solution sets defined by the intersection of agent constraint sets. Such invariant structures are generally not dynamically accessible to a single agent applying all constraints simultaneously, even when expressive capacity and information are identical. We extend this result from exact constraint enforcement to soft constraints via proximal operators, and apply the formalism to contemporary text-based dialog systems.

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials science, where innovation demands integrating concepts from molecular chemistry to mechanical performance, this is especially acute. Neither humans nor single-agent LLMs can fully contend with this torrent of information, with the latter often prone to hallucinations. To address this bottleneck, we introduce a multi-agent framework guided by large-scale knowledge graphs to find sustainable substitutes for per- and polyfluoroalkyl substances (PFAS)-chemicals currently under intense regulatory scrutiny. Agents in the framework specialize in problem decomposition, evidence retrieval, design parameter extraction, and graph traversal, uncovering latent connections across distinct knowledge pockets to support hypothesis generation. Ablation studies show that the full multi-agent pipeline outperforms single-shot prompting, underscoring the value of distributed specialization and relational reasoning. We demonstrate that by tailoring graph traversal strategies, the system alternates between exploitative searches focusing on domain-critical outcomes and exploratory searches surfacing emergent cross-connections. Illustrated through the exemplar of biomedical tubing, the framework generates sustainable PFAS-free alternatives that balance tribological performance, thermal stability, chemical resistance, and biocompatibility. This work establishes a framework combining knowledge graphs with multi-agent reasoning to expand the materials design space, showcasing several initial design candidates to demonstrate the approach.

Can neural networks systematically capture discrete, compositional task structure despite their continuous, distributed nature? The impressive capabilities of large-scale neural networks suggest that the answer to this question is yes. However, even for the most capable models, there are still frequent failure cases that raise doubts about their compositionality. Here, we seek to understand what it takes for a standard neural network to generalize over tasks that share compositional structure. We find that simply scaling data and model size leads to compositional generalization. We show that this holds across different task encodings as long as the training distribution sufficiently covers the task space. In line with this finding, we prove that standard multilayer perceptrons can approximate a general class of compositional task families to arbitrary precision using only a linear number of neurons with respect to the number of task modules. Finally, we uncover that if networks successfully compositionally generalize, the constituents of a task can be linearly decoded from their hidden activations. We show that this metric correlates with failures of text-to-image generation models to compose known concepts.