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Sep 15

Discovery Foundation Models: Toward Open-Ended Discovery Intelligence

Foundation models have progressed from learning and reasoning over existing knowledge, to increasingly learning through action, tool use, and outcome feedback. We argue that the next frontier is a further transition: from solving and acting within problems specified by humans to participating in the process by which new problems, representations, explanations, and knowledge are created. We refer to this capability as Discovery Intelligence. We formulate Discovery Foundation Models (DFMs) as general-purpose model systems for open-ended discovery. A DFM operates over a revisable research state and supports seven coupled capabilities spanning problem discovery, formulation, representation construction, hypothesis formation, intervention, evidence-grounded revision, and continual discovery improvement. We instantiate this framework with Zetema, which couples explicit research-state dynamics, verification and experimental gating, external grounding, and cross-task Discovery Skill evolution. We further ground the framework with GALILEO, a real therapeutic-discovery system in which Dry-Lab reasoning, robotic and hands-on Wet-Lab experimentation, external biological evidence, and iterative hypothesis and design revision form a closed physical discovery loop. We then formulate a unified approach to capability formation and process-centered evaluation, enabling discovery behavior to be trained, improved, and measured beyond final-answer performance. Together, these components establish discovery as a learnable, executable, and evaluable capability of foundation-model systems. We view this shift as a broader progression in intelligence scaling: from learning over existing knowledge, to learning from action outcomes, and ultimately to participating in the construction, testing, and revision of the structures through which new knowledge is discovered. Code: https://github.com/Gen-Verse/DFM-Plans

  • 3 authors
·
Sep 13 1

Unsupervised Skill Discovery for Agentic Data Analysis

Inference-time skill augmentation provides a lightweight way to improve data-analytic agents by injecting reusable procedural knowledge without updating model parameters. However, discovering effective skills for data analysis remains challenging, as reliable supervision is expensive and success criteria vary across analytical formats. This raises the key question of how to discover reusable data-analysis skills from unlabeled exploration alone. We propose DataCOPE, an unsupervised verifier-guided skill discovery framework for data-analytic agents. DataCOPE derives verifier signals from the exploration trajectories and uses them to characterize relative quality or aggreement among trajectories. It iteratively coordinates a Data-Analytic Agent for trajectory generation, an Unsupervised Verifier for signal extraction, and a Skill Manager for contrastive skill distillation. For report-style analysis, we instantiate the verifier as an Adaptive Checklist Verifier that derives task-specific criteria, scores reports by verifiable coverage, and iteratively refines the checklist. For reasoning-style analysis, we instantiate it as an Answer Agreement Verifier that groups trajectories by answer agreement and uses self-consistency as an auxiliary signal. We evaluate DataCOPE on report-style analysis from Deep Data Research and reasoning-style analysis from DABStep. Across both settings, DataCOPE consistently improves held-out performance over baselines. Averaged across four model settings, DataCOPE improves the mean score by 9.71% and 32.30% on report-style and reasoning-style tasks respectively.

zjunlp ZJUNLP
·
Jun 3 2

Skill Discovery for Software Scripting Automation via Offline Simulations with LLMs

Scripting interfaces enable users to automate tasks and customize software workflows, but creating scripts traditionally requires programming expertise and familiarity with specific APIs, posing barriers for many users. While Large Language Models (LLMs) can generate code from natural language queries, runtime code generation is severely limited due to unverified code, security risks, longer response times, and higher computational costs. To bridge the gap, we propose an offline simulation framework to curate a software-specific skillset, a collection of verified scripts, by exploiting LLMs and publicly available scripting guides. Our framework comprises two components: (1) task creation, using top-down functionality guidance and bottom-up API synergy exploration to generate helpful tasks; and (2) skill generation with trials, refining and validating scripts based on execution feedback. To efficiently navigate the extensive API landscape, we introduce a Graph Neural Network (GNN)-based link prediction model to capture API synergy, enabling the generation of skills involving underutilized APIs and expanding the skillset's diversity. Experiments with Adobe Illustrator demonstrate that our framework significantly improves automation success rates, reduces response time, and saves runtime token costs compared to traditional runtime code generation. This is the first attempt to use software scripting interfaces as a testbed for LLM-based systems, highlighting the advantages of leveraging execution feedback in a controlled environment and offering valuable insights into aligning AI capabilities with user needs in specialized software domains.

  • 9 authors
·
Apr 29, 2025 1

Open-World Skill Discovery from Unsegmented Demonstrations

Learning skills in open-world environments is essential for developing agents capable of handling a variety of tasks by combining basic skills. Online demonstration videos are typically long but unsegmented, making them difficult to segment and label with skill identifiers. Unlike existing methods that rely on sequence sampling or human labeling, we have developed a self-supervised learning-based approach to segment these long videos into a series of semantic-aware and skill-consistent segments. Drawing inspiration from human cognitive event segmentation theory, we introduce Skill Boundary Detection (SBD), an annotation-free temporal video segmentation algorithm. SBD detects skill boundaries in a video by leveraging prediction errors from a pretrained unconditional action-prediction model. This approach is based on the assumption that a significant increase in prediction error indicates a shift in the skill being executed. We evaluated our method in Minecraft, a rich open-world simulator with extensive gameplay videos available online. Our SBD-generated segments improved the average performance of conditioned policies by 63.7% and 52.1% on short-term atomic skill tasks, and their corresponding hierarchical agents by 11.3% and 20.8% on long-horizon tasks. Our method can leverage the diverse YouTube videos to train instruction-following agents. The project page can be found in https://craftjarvis.github.io/SkillDiscovery.

  • 5 authors
·
Mar 11, 2025 3

EvoSkill: Automated Skill Discovery for Multi-Agent Systems

Coding agents are increasingly used as general-purpose problem solvers, but their flexibility does not by itself confer the domain expertise needed for specialized tasks. Recent work addresses this through agent skills: reusable workflows, and code, that augment agents with domain-specific capabilities. Most skills today are hand-crafted, and existing evolutionary approaches optimize low-level artifacts (e.g. prompts \& code) that are tightly coupled to specific models and tasks. We introduce EvoSkill, a self-evolving framework that automatically discovers and refines agent skills through iterative failure analysis. EvoSkill analyzes execution failures, proposes new skills or edits to existing ones, and materializes them into structured, reusable skill folders. A Pareto frontier of agent programs governs selection, retaining only skills that improve held-out validation performance while the underlying model remains frozen. We evaluate EvoSkill on two benchmarks: OfficeQA, a grounded reasoning benchmark over U.S.\ Treasury data, where it improves exact-match accuracy by 7.3\% (60.6\% to 67.9\%); and SealQA, a search-augmented QA benchmark with noisy retrieval, where it yields a 12.1\% gain (26.6\% to 38.7\%). We also investigate the zero-shot transfer capabilties of skills evolved on one task to the other; in particular: skills evolved from SealQA transfers zero-shot to BrowseComp, improving accuracy by 5.3\% without modification demonstrating that skill-level optimization produces transferable capabilities beyond the training task.

  • 5 authors
·
Mar 3

ASPIRE: Agentic /Skills Discovery for Robotics

Traditional robot programming is challenging: it requires orchestrating multimodal perception, managing physical contact dynamics, and handling diverse configurations and execution failures. We introduce ASPIRE (Agentic Skill Programming through Iterative Robot Exploration), a continual learning system that autonomously writes and refines robot control programs in a code-as-policy paradigm while compounding experience into a reusable skill library. ASPIRE discovers skills that persist across tasks, simulation and real-world settings, and embodiments. It operates in an open-ended loop with three components: (1) a closed-loop robot execution engine that exposes fine-grained multimodal traces, enabling autonomous failure diagnosis, repair synthesis, and validation; (2) a continually expanding skill library that distills validated fixes into reusable, transferable knowledge; and (3) evolutionary search that generates diverse task sequences and control programs to explore beyond single-trajectory refinement. ASPIRE surpasses prior methods by up to 77% on LIBERO-Pro manipulation under perturbation, 72% on Robosuite bimanual handover, and 32% on BEHAVIOR-1K long-horizon household tasks. Its accumulated library also enables zero-shot generalization to unseen long-horizon tasks: on LIBERO-Pro Long, ASPIRE achieves 31% success versus 4% for prior methods despite their use of test-time reasoning and retries. Finally, simulation-discovered skills provide initial evidence of sim-to-real transfer, substantially reducing real-robot programming effort across different embodiments and robot APIs.

nvidia NVIDIA
·
Jun 29 2

SkillFlow:Benchmarking Lifelong Skill Discovery and Evolution for Autonomous Agents

As the capability frontier of autonomous agents continues to expand, they are increasingly able to complete specialized tasks through plug-and-play external skills. Yet current benchmarks mostly test whether models can use provided skills, leaving open whether they can discover skills from experience, repair them after failure, and maintain a coherent library over time. We introduce SkillFlow, a benchmark of 166 tasks across 20 families in which task construction within each family follows a Domain-Agnostic Execution Flow (DAEF) that defines an agent workflow framework, allowing these tasks to share a consistent workflow. Agents are evaluated under an Agentic Lifelong Learning protocol in which they begin without skills, solve tasks sequentially within each family, externalize lessons through trajectory- and rubric-driven skill patches, and carry the updated library forward. Experiments reveal a substantial capability gap. For Claude Opus 4.6, lifelong skill evolution improves task success from 62.65% to 71.08% (+8.43 points). However, high skill usage does not necessarily imply high utility: Kimi K2.5 gains only +0.60 points despite 66.87% skill usage, while Qwen-Coder-Next reaches only a 44.58% task completion rate and still regresses relative to the vanilla setting. SkillFlow contributes a structured testbed for this direction and an in-depth empirical analysis of skill discovery, patching, transfer, and their failure modes under lifelong evaluation.

  • 16 authors
·
Apr 18 2

Proposer-Agent-Evaluator(PAE): Autonomous Skill Discovery For Foundation Model Internet Agents

The vision of a broadly capable and goal-directed agent, such as an Internet-browsing agent in the digital world and a household humanoid in the physical world, has rapidly advanced, thanks to the generalization capability of foundation models. Such a generalist agent needs to have a large and diverse skill repertoire, such as finding directions between two travel locations and buying specific items from the Internet. If each skill needs to be specified manually through a fixed set of human-annotated instructions, the agent's skill repertoire will necessarily be limited due to the quantity and diversity of human-annotated instructions. In this work, we address this challenge by proposing Proposer-Agent-Evaluator, an effective learning system that enables foundation model agents to autonomously discover and practice skills in the wild. At the heart of PAE is a context-aware task proposer that autonomously proposes tasks for the agent to practice with context information of the environment such as user demos or even just the name of the website itself for Internet-browsing agents. Then, the agent policy attempts those tasks with thoughts and actual grounded operations in the real world with resulting trajectories evaluated by an autonomous VLM-based success evaluator. The success evaluation serves as the reward signal for the agent to refine its policies through RL. We validate PAE on challenging vision-based web navigation, using both real-world and self-hosted websites from WebVoyager and WebArena.To the best of our knowledge, this work represents the first effective learning system to apply autonomous task proposal with RL for agents that generalizes real-world human-annotated benchmarks with SOTA performances. Our open-source checkpoints and code can be found in https://yanqval.github.io/PAE/

  • 8 authors
·
Dec 17, 2024 2

Evolving Medical Imaging Agents via Experience-driven Self-skill Discovery

Clinical image interpretation is inherently multi-step and tool-centric: clinicians iteratively combine visual evidence with patient context, quantify findings, and refine their decisions through a sequence of specialized procedures. While LLM-based agents promise to orchestrate such heterogeneous medical tools, existing systems treat tool sets and invocation strategies as static after deployment. This design is brittle under real-world domain shifts, across tasks, and evolving diagnostic requirements, where predefined tool chains frequently degrade and demand costly manual re-design. We propose MACRO, a self-evolving, experience-augmented medical agent that shifts from static tool composition to experience-driven tool discovery. From verified execution trajectories, the agent autonomously identifies recurring effective multi-step tool sequences, synthesizes them into reusable composite tools, and registers these as new high-level primitives that continuously expand its behavioral repertoire. A lightweight image-feature memory grounds tool selection in a visual-clinical context, while a GRPO-like training loop reinforces reliable invocation of discovered composites, enabling closed-loop self-improvement with minimal supervision. Extensive experiments across diverse medical imaging datasets and tasks demonstrate that autonomous composite tool discovery consistently improves multi-step orchestration accuracy and cross-domain generalization over strong baselines and recent state-of-the-art agentic methods, bridging the gap between brittle static tool use and adaptive, context-aware clinical AI assistance. Code will be available upon acceptance.

  • 7 authors
·
Mar 5

Learning Generalizable Skills from Offline Multi-Task Data for Multi-Agent Cooperation

Learning cooperative multi-agent policy from offline multi-task data that can generalize to unseen tasks with varying numbers of agents and targets is an attractive problem in many scenarios. Although aggregating general behavior patterns among multiple tasks as skills to improve policy transfer is a promising approach, two primary challenges hinder the further advancement of skill learning in offline multi-task MARL. Firstly, extracting general cooperative behaviors from various action sequences as common skills lacks bringing cooperative temporal knowledge into them. Secondly, existing works only involve common skills and can not adaptively choose independent knowledge as task-specific skills in each task for fine-grained action execution. To tackle these challenges, we propose Hierarchical and Separate Skill Discovery (HiSSD), a novel approach for generalizable offline multi-task MARL through skill learning. HiSSD leverages a hierarchical framework that jointly learns common and task-specific skills. The common skills learn cooperative temporal knowledge and enable in-sample exploitation for offline multi-task MARL. The task-specific skills represent the priors of each task and achieve a task-guided fine-grained action execution. To verify the advancement of our method, we conduct experiments on multi-agent MuJoCo and SMAC benchmarks. After training the policy using HiSSD on offline multi-task data, the empirical results show that HiSSD assigns effective cooperative behaviors and obtains superior performance in unseen tasks.

  • 4 authors
·
Mar 27, 2025

SLIM: Skill Learning with Multiple Critics

Self-supervised skill learning aims to acquire useful behaviors that leverage the underlying dynamics of the environment. Latent variable models, based on mutual information maximization, have been successful in this task but still struggle in the context of robotic manipulation. As it requires impacting a possibly large set of degrees of freedom composing the environment, mutual information maximization fails alone in producing useful and safe manipulation behaviors. Furthermore, tackling this by augmenting skill discovery rewards with additional rewards through a naive combination might fail to produce desired behaviors. To address this limitation, we introduce SLIM, a multi-critic learning approach for skill discovery with a particular focus on robotic manipulation. Our main insight is that utilizing multiple critics in an actor-critic framework to gracefully combine multiple reward functions leads to a significant improvement in latent-variable skill discovery for robotic manipulation while overcoming possible interference occurring among rewards which hinders convergence to useful skills. Furthermore, in the context of tabletop manipulation, we demonstrate the applicability of our novel skill discovery approach to acquire safe and efficient motor primitives in a hierarchical reinforcement learning fashion and leverage them through planning, significantly surpassing baseline approaches for skill discovery.

  • 4 authors
·
Feb 1, 2024

From Skill Text to Skill Structure: The Scheduling-Structural-Logical Representation for Agent Skills

LLM agents increasingly rely on reusable skills, capability packages that combine instructions, control flow, constraints, and tool calls. In most current agent systems, however, skills are still represented by text-heavy artifacts, including SKILL.md-style documents and structured records whose machine-usable evidence remains embedded largely in natural-language descriptions. This poses a challenge for skill-centered agent systems: managing skill collections and using skills to support agent both require reasoning over invocation interfaces, execution structure, and concrete side effects that are often entangled in a single textual surface. An explicit representation of skill knowledge may therefore help make these artifacts easier for machines to acquire and leverage. Drawing on Memory Organization Packets, Script Theory, and Conceptual Dependency from Schank and Abelson's classical work on linguistic knowledge representation, we introduce what is, to our knowledge, the first structured representation for agent skill artifacts that disentangles skill-level scheduling signals, scene-level execution structure, and logic-level action and resource-use evidence: the Scheduling-Structural-Logical (SSL) representation. We instantiate SSL with an LLM-based normalizer and evaluate it on a corpus of skills in two tasks, Skill Discovery and Risk Assessment, and superiorly outperform the text-only baselines: in Skill Discovery, SSL improves MRR from 0.573 to 0.707; in Risk Assessment, it improves macro F1 from 0.744 to 0.787. These findings reveal that explicit, source-grounded structure makes agent skills easier to search and review. They also suggest that SSL is best understood as a practical step toward more inspectable, reusable, and operationally actionable skill representations for agent systems, rather than as a finished standard or an end-to-end mechanism for managing and using skills.

Weights or Skills? A Survey of Robot-Learning Techniques: from Action-Predicting Weights to Robots that Write their Own Skills

Robot learning is splitting into two bets: policies that bake competence into frozen weights (vision-language-action, or VLA, models), and agents that write and refine their own executable skills as code. This survey organises the field around that axis of weights versus skills. Its central analytical contribution is a deep-dive that arranges code-as-policy methods by their degree of self-improvement, from zero-shot program synthesis, through closed-loop self-repair and persistent skill memory, to the sparsely populated cell in which execution feedback, skill memory, and evolutionary search combine into one open-ended loop; only a few very recent systems (for example ASPIRE, ENPIRE, and RoboClaw) occupy that cell. We map the complementary "skills" pole, from unsupervised reinforcement-learning skill discovery to large-language-model skill libraries, and show that the word "skill" is used in at least five distinct senses, of which only the code sense self-improves without gradient updates. We then connect the taxonomy to the emerging skill economy: commercial robot-skill marketplaces now distribute one-tap skills across robots but ship only static playback, which surfaces open problems of adaptation, cross-embodiment portability, provenance, safety verification, composition, and standardisation. This is a deliberately focused survey. Rather than cataloguing the field exhaustively, it examines 77 representative systems across six technique families through one taxonomy and a set of contrast tables, and it supplies operational definitions of the self-improvement mechanisms together with a statement of what each family cannot do.

  • 6 authors
·
Aug 2 2

Agent Skills for Large Language Models: Architecture, Acquisition, Security, and the Path Forward

The transition from monolithic language models to modular, skill-equipped agents marks a defining shift in how large language models (LLMs) are deployed in practice. Rather than encoding all procedural knowledge within model weights, agent skills -- composable packages of instructions, code, and resources that agents load on demand -- enable dynamic capability extension without retraining. It is formalized in a paradigm of progressive disclosure, portable skill definitions, and integration with the Model Context Protocol (MCP). This survey provides a comprehensive treatment of the agent skills landscape, as it has rapidly evolved during the last few months. We organize the field along four axes: (i) architectural foundations, examining the SKILL.md specification, progressive context loading, and the complementary roles of skills and MCP; (ii) skill acquisition, covering reinforcement learning with skill libraries, autonomous skill discovery (SEAgent), and compositional skill synthesis; (iii) deployment at scale, including the computer-use agent (CUA) stack, GUI grounding advances, and benchmark progress on OSWorld and SWE-bench; and (iv) security, where recent empirical analyses reveal that 26.1% of community-contributed skills contain vulnerabilities, motivating our proposed Skill Trust and Lifecycle Governance Framework -- a four-tier, gate-based permission model that maps skill provenance to graduated deployment capabilities. We identify seven open challenges -- from cross-platform skill portability to capability-based permission models -- and propose a research agenda for realizing trustworthy, self-improving skill ecosystems. Unlike prior surveys that broadly cover LLM agents or tool use, this work focuses specifically on the emerging skill abstraction layer and its implications for the next generation of agentic systems. Project repo: https://github.com/scienceaix/agentskills

  • 2 authors
·
Feb 12

From Context to Skills: Can Language Models Learn from Context Skillfully?

Many real-world tasks require language models (LMs) to reason over complex contexts that exceed their parametric knowledge. This calls for context learning, where LMs directly learn relevant knowledge from the given context. An intuitive solution is inference-time skill augmentation: extracting the rules and procedures from context into natural-language skills. However, constructing such skills for context learning scenarios faces two challenges: the prohibitive cost of manual skill annotation for long, technically dense contexts, and the lack of external feedback for automated skill construction. In this paper, we propose Ctx2Skill, a self-evolving framework that autonomously discovers, refines, and selects context-specific skills without human supervision or external feedback. At its core, a multi-agent self-play loop has a Challenger that generates probing tasks and rubrics, a Reasoner that attempts to solve them guided by an evolving skill set, and a neutral Judge that provides binary feedback. Crucially, both the Challenger and the Reasoner evolve through accumulated skills: dedicated Proposer and Generator agents analyze failure cases and synthesize them into targeted skill updates for both sides, enabling automated skill discovery and refinement. To prevent adversarial collapse caused by increasingly extreme task generation and over-specialized skill accumulation, we further introduce a Cross-time Replay mechanism that identifies the skill set achieving the best balance across representative cases for the Reasoner side, ensuring robust and generalizable skill evolution. The resulting skills can be plugged into any language model to obtain better context learning capability. Evaluated on four context learning tasks from CL-bench, Ctx2Skill consistently improves solving rates across backbone models.

  • 13 authors
·
May 2 3

PANDO: Efficient Multimodal AI Agents via Online Skill Distillation

Recent advances in multimodal web agents often rely on increased inference-time computation, including rollout search, verifier passes, offline skill discovery, and specialist model stacks. This raises a central question: can a web agent become more efficient as it accumulates experience, rather than more expensive? We first analyze trajectories from VisualWebArena and identify three recurring sources of inefficiency: repeat-action loops, hidden discovery costs, and low prompt-cache reuse. We then introduce PANDO, a single-rollout online skill-distillation framework that maintains a structured Skill Library and combines progress reflection, confidence-based skill demotion, hierarchical routing, visual compression, and cache-aware prompting. On the full set of 910 VisualWebArena tasks, PANDO achieves a 58.3% success rate, outperforming SGV (54.0%) and our WALT reproduction (45.2%), while using 58% fewer tokens than SGV and 61% fewer tokens than WALT, without any pre-evaluation discovery budget. A 300-task ablation further shows that rules and routines provide most of the success gains, while routing, compression, and cache-aware prompting convert the larger skill library into lower marginal token cost. Finally, we introduce three trajectory-level efficiency metrics -- Action Repetition Rate, Step Overhead Ratio, and Prompt Cache Utilization -- to make efficiency visible beyond terminal success.

SoK: Agentic Skills -- Beyond Tool Use in LLM Agents

Agentic systems increasingly rely on reusable procedural capabilities, a.k.a., agentic skills, to execute long-horizon workflows reliably. These capabilities are callable modules that package procedural knowledge with explicit applicability conditions, execution policies, termination criteria, and reusable interfaces. Unlike one-off plans or atomic tool calls, skills operate (and often do well) across tasks. This paper maps the skill layer across the full lifecycle (discovery, practice, distillation, storage, composition, evaluation, and update) and introduces two complementary taxonomies. The first is a system-level set of seven design patterns capturing how skills are packaged and executed in practice, from metadata-driven progressive disclosure and executable code skills to self-evolving libraries and marketplace distribution. The second is an orthogonal representation times scope taxonomy describing what skills are (natural language, code, policy, hybrid) and what environments they operate over (web, OS, software engineering, robotics). We analyze the security and governance implications of skill-based agents, covering supply-chain risks, prompt injection via skill payloads, and trust-tiered execution, grounded by a case study of the ClawHavoc campaign in which nearly 1{,}200 malicious skills infiltrated a major agent marketplace, exfiltrating API keys, cryptocurrency wallets, and browser credentials at scale. We further survey deterministic evaluation approaches, anchored by recent benchmark evidence that curated skills can substantially improve agent success rates while self-generated skills may degrade them. We conclude with open challenges toward robust, verifiable, and certifiable skills for real-world autonomous agents.

  • 7 authors
·
Feb 24

Notes2Skills: From Lab Notebooks to Certainty-Aware Scientific Agent Skills

Scientific discovery workflows usually contain and rely heavily on lab notes, where researchers record observations, interpret uncertain results, and plan follow-up experiments. Such informative lab notes preserve evolving scientific reasoning and author uncertainty, rather than polished final results exhibited in publications, providing a valuable opportunity for AI to engage in scientific exploration at a more comprehensive and deeper level. However, most prior work on scientific text focuses on papers, protocols, or structured databases, leaving informal laboratory notes underexplored as inputs to AI agents for science. This gap matters because lab notes often intermingle validated observations, tentative judgments, and possible experimental next steps within the same passage. If these signals are conflated, an AI agent may mistake uncertain scientific judgments for confirmed conclusions or executable actions. To this end, we present Notes2Skills, a two-stage framework for turning lab notebooks into verifiable skills for scientific AI agents while preserving the author's certainty. Across seven conditions and three wet-lab sessions, Notes2Skills is the only configuration that neither mistakes uncertain notes for firm instructions nor discards firm ones. We show that certainty preservation is the missing piece between lab notebooks and reliable agent skills, opening a path toward safer AI co-scientist systems.

Self-Revising Discovery Systems for Science: A Categorical Framework for Agentic Artificial Intelligence

Scientific discovery is not only answer generation but revision of the representational regime in which evidence, artifacts, operations, and verifiers are typed. We develop a category-theoretic account of agentic discovery for materials science. In a fixed regime b with schema category S_b, the system state is a copresheaf I_t: S_b -> Set, and provenance is the category of elements \int_{S_b} I_t. Fixed-regime operation is an update on such states, endofunctorial only when provenance-preserving refinements are specified and preserved. Discovery is instead a verified regime transition u: S_b -> S_b': old artifacts are preserved, transported by the left Kan extension Lan_u I_t, and compared with the post-transition state to identify residual content beyond functorial transport. This separates retrieval, search, and discovery without subjective novelty. We instantiate the framework in two systems. In Builder/Breaker, a protein-mechanics world model is revised under a Minimum Description Length gate; the accepted law expresses within-chain flexibility as all-mode elastic compliance conditioned by slow collective-mode participation, or mode-conditioned compliance. In CategoryScienceClaw, typed skills, artifacts, open needs, workflow mutation, gates, stress tests, and public discourse become a proof-carrying knowledge-computation graph. A fiber-network example records candidate models, rejected alternatives, an AIC gate, perturbation tests, and an accepted orientation-tensor anisotropic stiffness surrogate over an isotropic fiber-count descriptor. Together, the cases show how category theory can be both a mathematical language for discovery and an engineering specification for self-revising AI discovery systems.

  • 2 authors
·
May 30

Evaluating Skills, Not Just Agents: Agentic Continuous Evaluation of Skills

Enterprise agent programs are moving from prototypes into production, where reusable skills, tools, and workflow packages must be reviewed with evidence rather than prose. Current gates often scan these artifacts for structure, style, and security, but they do not answer the deployment question: does the capability package help a live agent complete enterprise tasks under the same model, sandbox, and grading policy? We present ACES (Agentic Continuous Evaluation of Skills), a repository-native framework for evaluating skills and product capability packages as executable agent artifacts. ACES runs paired live trials with and without a target skill, normalizes trajectories into the Agent Trajectory Interchange Format (ATIF), grades six default runtime metrics, and reports Skill Lift: the target skill's added value for a fixed task, harness, workspace, and scorer. The same protocol supports product-owned task suites that compare baseline, skill, bundle, team-skill, and plugin targets. On 145 real skills from internal enterprise repositories and public catalogs, scan-only gates surface useful authoring issues but measure complementary facets (structural versus LLM-judge Spearman ρ= 0.14). Across 947 scored paired cases from 58 of 64 production skills and four primary harnesses, mean composite Skill Lift is 0.2134 (95\% paired-case CI [0.1967, 0.2301]); mean outcome-only lift, the average of accuracy and goal accuracy, is 0.1799. Composite lift is positive in 72.8\% of paired cases. The largest process-metric gains appear in skill execution, behavior check, and skill efficiency---signals about discovery, routing, workflow following, and tool use that document scans cannot observe. An open-source implementation of the methodology is available in NVIDIA SkillEvaluator.

  • 12 authors
·
Aug 19

Bootstrap aggregation and confidence measures to improve time series causal discovery

Learning causal graphs from multivariate time series is a ubiquitous challenge in all application domains dealing with time-dependent systems, such as in Earth sciences, biology, or engineering, to name a few. Recent developments for this causal discovery learning task have shown considerable skill, notably the specific time-series adaptations of the popular conditional independence-based learning framework. However, uncertainty estimation is challenging for conditional independence-based methods. Here, we introduce a novel bootstrap approach designed for time series causal discovery that preserves the temporal dependencies and lag structure. It can be combined with a range of time series causal discovery methods and provides a measure of confidence for the links of the time series graphs. Furthermore, next to confidence estimation, an aggregation, also called bagging, of the bootstrapped graphs by majority voting results in bagged causal discovery methods. In this work, we combine this approach with the state-of-the-art conditional-independence-based algorithm PCMCI+. With extensive numerical experiments we empirically demonstrate that, in addition to providing confidence measures for links, Bagged-PCMCI+ improves in precision and recall as compared to its base algorithm PCMCI+, at the cost of higher computational demands. These statistical performance improvements are especially pronounced in the more challenging settings (short time sample size, large number of variables, high autocorrelation). Our bootstrap approach can also be combined with other time series causal discovery algorithms and can be of considerable use in many real-world applications.

  • 4 authors
·
Jun 15, 2023

Autonomous Agents Coordinating Distributed Discovery Through Emergent Artifact Exchange

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

BrainPilot: Automating Brain Discovery with Agentic Research

Understanding the brain increasingly depends on integrating evidence across scales, modalities, and disciplines. Addressing a single research question therefore requires a coordinated sequence of operations, from surveying prior work to executing analyses and interpreting results in light of domain knowledge. AI agents promise to accelerate this process, but current agents lack domain expertise in brain science, may fabricate claims, drift during multi-step reasoning, and offer few defined points for expert intervention. These failures are especially costly in brain science, where conclusions feed into downstream scientific claims and depend on laboratory-specific expertise and careful human judgment. We present BrainPilot a fully open-source multi-agent system that accelerates brain science research with traceable logs and agent-verified results. A principal investigator (PI) agent coordinates specialist agents grounded in curated domain knowledge: a unified brain science knowledge base containing 7{,}233 indexed items and a skill library of 72 reusable methodology units across seven research domains. Every major step is recorded in the Graph of Trace, an auditable record that links subgoals, tool use, evidence, and claims and allows researchers to follow and inspect the workflow. An Auditor agent further integrates fabrication checking into the workflow. For evaluation, we run three brain science tasks from Agents' Last Exam, introduce our own benchmark, BrainPilotBench-v0, and present additional end-to-end case studies. Across these evaluations, BrainPilot with an open-source backbone model attains performance comparable to state-of-the-art agent framework with less costs.

  • 16 authors
·
Jul 16

Mozi: Governed Autonomy for Drug Discovery LLM Agents

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

Enrich-Retrieve-Rank: Scaling Capability Discovery Beyond In-Context Routing

Agent ecosystems now include thousands of MATS components (Models, Agents, Tools, and Skills), yet their discovery still relies on in-context routing. These systems read a registry (names, hints, or descriptions, as context budget permits), pick a candidate, invoke it, and retry on failure. This pattern degrades with scale, and registries are growing fast. We recast capability discovery as search over a registry by defining an offline enrichment step that turns sparse metadata into searchable profiles, and an online retrieve-then-rank pipeline that returns a ranked shortlist without invoking any candidates online. We show that from N=10 to 7,278 capabilities, in-context routing's top-1 accuracy (Match@1) collapses (0.85 to 0.12), while retrieve-then-rank degrades more gently (0.81 to 0.39) because its reranker still ranks the right capability first 0.70-0.87 of the time once retrieval finds it. In the Nova Micro sweep, the crossover is around N=500. We compare against two in-context baselines. Full-Ctx puts the whole registry in the prompt and asks the LLM to pick. Search&Pick gives the LLM a search tool to narrow candidates before it picks. At full scale the pipeline leads Search&Pick by 6.5 percentage points (pp) on Match@1 at about half the cost. It reduces cost 70x versus Full-Ctx. We use a fixed configuration (same enrichment, retriever, and scorer weights) across agent, tool, and skill registries. The pipeline runs in production as the default capability-discovery layer of a large-scale multi-agent platform.

  • 3 authors
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Aug 23

Before the Action: Benchmarking LLMs on Prospective Hypothesis Discovery

Large language models (LLMs) excel at answering pre-specified questions, yet their ability to navigate the open-ended, pre-conclusion stage of discovery remains largely unmeasured. We introduce Prospective Hypothesis Discovery (PHD), which asks models to autonomously construct grounded, discriminative, and testable hypothesis spaces from inconclusive evidence, including anomalous observations and fragmented records, to guide subsequent investigation. To evaluate this capability, we introduce HypoArena, comprising HypoData, a benchmark of 988 cases across six scientific and analytical domains, and HypoEval, an evaluation framework for open-ended hypothesis sets. To construct HypoData at scale, we propose Retrospective Context Regression, a Forge--Audit pipeline that reconstructs pre-conclusion contexts from completed expert documents by removing explicit conclusions, target hypotheses, and retrospective causal attributions while preserving the factual substrate. Because PHD admits multiple valid outputs, HypoEval combines bidirectional pairwise judgments with Bradley--Terry--Davidson aggregation for ranking and six-dimensional rubric scoring for diagnosis. Experiments on 15 frontier LLMs reveal clear capability stratification and model-dependent effects of structured analytical skills, with gains for several lower-performing models on HypoArena but regressions for other systems, including a top-performing model. Compared with absolute rubric scoring, arena evaluation resolves finer-grained differences among models, with aggregated rankings showing strong agreement with human experts and an independent judge. Together, these results support treating PHD as a distinct target for evaluating how LLMs formulate investigative directions when final conclusions are withheld. Our code and data are publicly available at github.com/SKYLENAGE-AI/HypoArena and github.com/SKYLENAGE-AI/HypoArena.

  • 18 authors
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Jul 16

A Formal Hierarchical Architecture for Agentic Orchestration with Stack-Based Execution and Lazy Discovery

The rapid expansion of capabilities in Large Language Model (LLM) agents has exposed a critical architectural bottleneck: when agents are given access to a flat, monolithic registry of tools, the model must evaluate hundreds or thousands of options simultaneously. This leads to decision-space explosion, context window saturation, and degraded routing accuracy. To address these limitations, this paper presents a hierarchical, skill-based architecture for agentic orchestration. Capabilities are organized as a rooted tree where internal nodes make routing decisions and leaf nodes execute deterministic tasks. The runtime enforces a single-step execution loop governed by a Last-In-First-Out (LIFO) stack, giving the agent a form of memory akin to a Pushdown Automaton, therefore enabling it to track nested execution contexts and resume deterministically from any depth. Capability discovery follows a manifest-driven, lazy-loading protocol: only the immediate children of the active node are loaded, so memory and prompt costs scale with the explored path rather than the global registry. By replacing global memory with localized stack frames, the architecture prevents outputs from one execution branch from leaking into another, establishing the isolation guarantees required for deployment in regulated enterprise environments. We also discuss UPI Help, an AI-powered digital payments support product, as a motivating production deployment context. We provide a mathematical formalization of the orchestration state, detailed algorithmic analysis of the execution loop, and controlled benchmarks comparing flat and hierarchical routing under increasing tool catalogs, multi-step workflow pressure, and visible schema-token exposure per LLM call.

  • 12 authors
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Jul 12

When AI Agents Teach Each Other: Discourse Patterns Resembling Peer Learning in the Moltbook Community

Peer learning, where learners teach and learn from each other, is foundational to educational practice. A novel phenomenon has emerged: AI agents forming communities where they share skills, discoveries, and collaboratively discuss knowledge. This paper presents an educational data mining analysis of Moltbook, a large-scale community where over 2.4 million AI agents engage in discourse that structurally resembles peer learning. Analyzing 28,683 posts (after filtering automated spam) and 138 comment threads with statistical and qualitative methods, we identify discourse patterns consistent with peer learning behaviors: agents share skills they built (74K comments on a skill tutorial), report discoveries, and engage in collaborative problem-solving. Qualitative comment analysis reveals a taxonomy of response patterns: validation (22%), knowledge extension (18%), application (12%), and metacognitive reflection (7%), coded by two independent raters (Cohen's κ= 0.78). We characterize how these AI discourse patterns differ from human peer learning: (1) statements outperform questions with an 11.4:1 ratio (χ^2 = 847.3, p < .001); (2) procedural content receives significantly higher engagement than other content (Kruskal-Wallis H = 312.7, p < .001); (3) extreme participation inequality (Gini = 0.91 for comments) reveals non-human behavioral signatures. We propose six empirically grounded hypotheses for educational AI design. Crucially, we distinguish between surface-level discourse patterns and underlying cognitive processes: whether agents "learn" in any meaningful sense remains an open question. Our work provides the first empirical characterization of peer-learning-like discourse among AI agents, contributing to EDM's understanding of AI-populated educational environments.

  • 7 authors
·
Mar 27

Demystifying Agent Skills: Why They Work-Until They Don't

Skills have emerged as a practical and effective approach for enhancing LLM agents at inference time through structured packages of knowledge. However, existing evaluations largely measure whether skills improve aggregated task success, leaving a more fundamental question underexplored: \textbf{When do skills help, why do they work, and where do they fail?} Through controlled experiments across various benchmarks, agent harnesses and LLMs, we isolate the effects of representation, outcome annotation, retrieval difficulty, and cross-framework robustness of skills. To further answer this question, we design a contrastive study that combines controlled quantitative experiments with paired trajectory analysis. We normalize 8,135 trial records from controlled experiments and retain 238 valid unique labels from 240 open-coded records. We consolidate these observations into a taxonomy of three high-level categories and twelve skill-use modes: skills work when noisy trajectories become procedural anchors that stabilize execution. Skills improve over Workflow Memory by 6.06 points in matched comparisons. Procedural anchoring accounts for 65.7\% of skill cases, versus 4.5\% for explicit knowledge injection, showing that skills stabilize action rather than inject missing facts. Retrieval is a separate bottleneck: as pools grow from 5 to 100, actual-use precision falls from 29.6\% to 3.3\%. Confusable distractors impair offline identification, yet downstream success remains stable; exact ground-truth invocation is neither sufficient nor necessary. Skills fail under brittle assumptions, incompatible contexts, or insufficient adaptation. These findings move evaluation beyond aggregate success rates and guide reliable self-evolving agents.

Progressive Agent Skill Generation via Reinforcement Learning

Existing skill generation methods largely rely on heuristics or pipeline-style consolidation, which must be specially designed for different evidence sources. In contrast, learning-based approaches offer a more unified way to model skill generation across heterogeneous sources. However, learning-based skill generation remains challenging because skills lack a natural supervision signal based on relevance or correctness; their value can largely be determined only by whether they improve the behavior of the agent on downstream tasks. To address this challenge, we propose Skill-α, a reinforcement learning method for progressively generating high-quality agent skills. Specifically, we formulate skill generation as a sequential editing process that decomposes skill construction into individually evaluable edits, and introduce a novel rollback reward that evaluates each edit by comparing downstream execution under the original and edited skills on an anchored query. Extensive experiments show that Skill-α generates more effective skills than methods based on heuristics or pipelines in both document-to-skill and experience-to-skill settings. Under the main GPT-4o worker, Skill-α improves average downstream success rates over the strongest skill-generation baseline by 3.3 points on CL-Bench and 6.7 points on tau2-bench. Further ablations validate the importance of rollback reward and progressive generation.

Navigating Ideation Space: Decomposed Conceptual Representations for Positioning Scientific Ideas

Scientific discovery is a cumulative process and requires new ideas to be situated within an ever-expanding landscape of existing knowledge. An emerging and critical challenge is how to identify conceptually relevant prior work from rapidly growing literature, and assess how a new idea differentiates from existing research. Current embedding approaches typically conflate distinct conceptual aspects into single representations and cannot support fine-grained literature retrieval; meanwhile, LLM-based evaluators are subject to sycophancy biases, failing to provide discriminative novelty assessment. To tackle these challenges, we introduce the Ideation Space, a structured representation that decomposes scientific knowledge into three distinct dimensions, i.e., research problem, methodology, and core findings, each learned through contrastive training. This framework enables principled measurement of conceptual distance between ideas, and modeling of ideation transitions that capture the logical connections within a proposed idea. Building upon this representation, we propose a Hierarchical Sub-Space Retrieval framework for efficient, targeted literature retrieval, and a Decomposed Novelty Assessment algorithm that identifies which aspects of an idea are novel. Extensive experiments demonstrate substantial improvements, where our approach achieves Recall@30 of 0.329 (16.7% over baselines), our ideation transition retrieval reaches Hit Rate@30 of 0.643, and novelty assessment attains 0.37 correlation with expert judgments. In summary, our work provides a promising paradigm for future research on accelerating and evaluating scientific discovery.

  • 4 authors
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Jan 13

ProjectionBench: Evaluating Scientific Hypothesis Generation in LLMs Under Progressive Information Disclosure

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research tasks via multi-hop retrieval, their innovative reasoning abilities essential for true scientific discovery remain largely untested. We introduce a benchmark framework for evaluating model performance in scientific discovery and reasoning, building up from a raw problem to the classical null hypothesis test. In our framework, models initially receive only the topic and research question from a recent paper, with technical details progressively revealed. At each stage of information disclosure, the model is tasked with generating hypotheses that address the research question, which is compared with the conclusions from the original paper and evaluated via automated semantic similarity of constituent atomic claims. This progressive evaluation of semantic divergence from ground-truth conclusions enables assessment of a model's innovativeness (under minimal information) to grounded reasoning capabilities (under full experimental details), both critical for using LLMs for scientific discovery purposes. Our framework provides a foundation for systematically evaluating scientific reasoning and discovery capabilities in LLMs, crucial for advancing the development of next-generation AI scientist/co-scientist systems. Specifically, here we evaluate GPT-5, GPT-5.4, Gemini 2.5 pro, and Gemini 3.1 pro preview across 45 papers spanning bioactive materials, mechanical materials, and nanomaterials. We find that GPT-5.4 and Gemini 3.1 pro outperform their previous generation counterparts as expected, and GPT-5.4 in particular maintains 0.7 F1 score alignment with ground truth conclusions even under minimal context.

  • 3 authors
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May 27

Learning to Discover at Test Time

How can we use AI to discover a new state of the art for a scientific problem? Prior work in test-time scaling, such as AlphaEvolve, performs search by prompting a frozen LLM. We perform reinforcement learning at test time, so the LLM can continue to train, but now with experience specific to the test problem. This form of continual learning is quite special, because its goal is to produce one great solution rather than many good ones on average, and to solve this very problem rather than generalize to other problems. Therefore, our learning objective and search subroutine are designed to prioritize the most promising solutions. We call this method Test-Time Training to Discover (TTT-Discover). Following prior work, we focus on problems with continuous rewards. We report results for every problem we attempted, across mathematics, GPU kernel engineering, algorithm design, and biology. TTT-Discover sets the new state of the art in almost all of them: (i) Erdős' minimum overlap problem and an autocorrelation inequality; (ii) a GPUMode kernel competition (up to 2times faster than prior art); (iii) past AtCoder algorithm competitions; and (iv) denoising problem in single-cell analysis. Our solutions are reviewed by experts or the organizers. All our results are achieved with an open model, OpenAI gpt-oss-120b, and can be reproduced with our publicly available code, in contrast to previous best results that required closed frontier models. Our test-time training runs are performed using Tinker, an API by Thinking Machines, with a cost of only a few hundred dollars per problem.

From f(x) and g(x) to f(g(x)): LLMs Learn New Skills in RL by Composing Old Ones

Does RL teach LLMs genuinely new skills, or does it merely activate existing ones? This question lies at the core of ongoing debates about the role of RL in LLM post-training. On one side, strong empirical results can be achieved with RL even without preceding supervised finetuning; on the other, critics argue that RL contributes little beyond reweighting existing reasoning strategies. This work provides concrete evidence that LLMs can acquire genuinely new skills during RL by composing existing ones, mirroring one of the central mechanisms by which humans acquire new cognitive skills. To mitigate data contamination and other confounding factors, and to allow precise control over task complexity, we develop a synthetic framework for our investigation. Specifically, we define a skill as the ability to infer the output of a string transformation function f(x) given x. When an LLM has already learned f and g prior to RL, our experiments reveal that RL enables it to learn unseen compositions of them h(x)=g(f(x)). Further, this compositional ability generalizes to more difficult problems such as compositions of >2 functions unseen during RL training. Surprisingly, our experiments show that compositional skill acquired on a source task transfers to a different target task. This transfer happens even without compositional training on the target, requiring only prior knowledge of the target's atomic skills. Our qualitative analysis shows that RL fundamentally changes the reasoning behaviors of the models. In contrast, next-token training with the same data yields none of these findings. Our systematic experiments provide fresh insights into LLM learning, suggesting the value of first building base models with basic skills, then using RL to incentivize advanced, generalizable skills for complex problems.

  • 10 authors
·
Sep 29, 2025 2

SkillReason: Reasoning-Enhanced Agent Skill Retrieval for Implicit User Requests

Large language model agents increasingly rely on reusable skills to extend their capabilities beyond parametric knowl- edge. However, retrieving the appropriate skill from a large- scale library remains challenging because realistic user re- quests are often concise and underspecified, stating only the task goal while leaving the required capabilities and execu- tion steps implicit. Existing benchmarks provide limited cov- erage of such requests. To address this gap, we introduce SkillReason-Bench, a large-scale cross-domain benchmark containing 3,729 queries and a retrieval corpus of 61,228 skills spanning nine domains. We further propose SkillRea- son, a two-stage framework that uses chain-of-thought rea- soning as training-time supervision for skill retrieval. In Stage I, capability reasoning traces generated by a stronger teacher provide explicit supervision through contrastive learning, re- trieval distribution alignment, and language modeling, en- couraging the retriever to internalize capability reasoning in its query representation. In Stage II, a retrieval-guided GRPO objective encourages the model to explore reasoning trajecto- ries better suited to its own capabilities and more effective for retrieval. At inference, SkillReason directly encodes the orig- inal query without autoregressive CoT generation, preserv- ing efficient query-only retrieval. Extensive experiments on SkillReason-Bench, SkillRet, and SRA-Bench show that Skill- Reason achieves state-of-the-art performance across all three benchmarks, demonstrating that reasoning-enhanced training better bridges the semantic gap between high-level task goals and skill capabilities.

  • 9 authors
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Aug 8

SkillJuror: Measuring How Agent Skill Organization Changes Runtime Behavior

Agent Skills augment large language model (LLM) agents with procedural knowledge at inference time, but current benchmarks rarely distinguish what a Skill says from how it is organized. We study this distinction through Progressive Disclosure, where a concise root file points agents to supporting resources on demand, and compare it with a normalized flat baseline. We present SkillJuror, a framework for evaluating Skill writing paradigms through semantically controlled variants, matched multi-trial evaluations, and trajectory evidence while holding task knowledge fixed. In an 82-task SkillsBench study, Progressive Disclosure changes runtime behavior before aggregate outcomes: distinct Skill resources touched per trajectory rise from 1.18 to 3.85, and effective uptake events rise from 1.33 to 3.92. It also yields 17 additional verifier-passing trials out of 410 matched trials (+4.1%) over the normalized flat baseline. The benefit is task-dependent. Progressive Disclosure helps when supporting resources guide implementation, checking, or repair, but is weaker when success hinges on exact output conventions, numerical thresholds, or long artifact-generation pipelines. These results show that Skill organization is not mere presentation: it can change how agents search and apply procedural knowledge, while outcome gains depend on whether the exposed resources are actionable for the task. Code is available at https://github.com/zhiyuchen-ai/skill-juror.

  • 7 authors
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Jun 9

SKILLFOUNDRY: Building Self-Evolving Agent Skill Libraries from Heterogeneous Scientific Resources

Modern scientific ecosystems are rich in procedural knowledge across repositories, APIs, scripts, notebooks, documentation, databases, and papers, yet much of this knowledge remains fragmented across heterogeneous artifacts that agents cannot readily operationalize. This gap between abundant scientific know-how and usable agent capabilities is a key bottleneck for building effective scientific agents. We present SkillFoundry, a self-evolving framework that converts such resources into validated agent skills, reusable packages that encode task scope, inputs and outputs, execution steps, environment assumptions, provenance, and tests. SkillFoundry organizes a target domain as a domain knowledge tree, mines resources from high-value branches, extracts operational contracts, compiles them into executable skill packages, and then iteratively expands, repairs, merges, or prunes the resulting library through a closed-loop validation process. SkillFoundry produces a substantially novel and internally valid skill library, with 71.1\% of mined skills differing from existing skill libraries such as SkillHub and SkillSMP. We demonstrate that these mined skills improve coding agent performance on five of the six MoSciBench datasets. We further show that SkillFoundry can design new task-specific skills on demand for concrete scientific objectives, and that the resulting skills substantially improve performance on two challenging genomics tasks: cell type annotation and the scDRS workflow. Together, these results show that automatically mined skills improve agent performance on benchmarks and domain-specific tasks, expand coverage beyond hand-crafted skill libraries, and provide a practical foundation for more capable scientific agents.

  • 6 authors
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Apr 4

The Router Within: Eliciting Native Skill Routing from a Frozen LLM

Skills extend an LLM agent beyond its parametric knowledge, and the gain they promise rests on picking the right one. Deployed harnesses route by preloading every skill's metadata into the context, which disperses the agent's attention and caps the library size. Retrieval pipelines move the selection out of the context, but also out of the agent's capability. We show that the frozen agent LLM already carries the routing signal in its own forward passes, and that two linear maps suffice to read it out with no skill text in the context. Gavel (Glance And Verdict from a frozen LLM) reads it in two steps. A glance projects the task's and each skill's mid-layer states through the two maps, the only parameters trained, and scores the full library against compact per-skill banks that one forward pass builds at installation. A verdict then resumes the shortlisted skills' forward passes and reads the model's own likelihood and yes/no judgment, fused with the glance as a product of experts. Trained once, Gavel transfers zero-shot to three public benchmarks and SkillTraj, our new benchmark of 372 simulated agent trajectories. On Qwen3-32B it outperforms progressive disclosure and retrieve-and-rerank pipelines that add 1.2B to 16B external parameters, by up to 13.4 points on written tasks and up to 21.9 when the need for a skill arises mid-rollout. Routing accuracy improves as the backbone does, and in a bash-agent harness the same 32B triggers the correct skill on Skill-Use more often than far larger frontier models running in Codex.

  • 5 authors
·
Sep 13

Representation-Based Exploration for Language Models: From Test-Time to Post-Training

Reinforcement learning (RL) promises to expand the capabilities of language models, but it is unclear if current RL techniques promote the discovery of novel behaviors, or simply sharpen those already present in the base model. In this paper, we investigate the value of deliberate exploration -- explicitly incentivizing the model to discover novel and diverse behaviors -- and aim to understand how the knowledge in pre-trained models can guide this search. Our main finding is that exploration with a simple, principled, representation-based bonus derived from the pre-trained language model's hidden states significantly improves diversity and pass@k rates -- both for post-training, and in a novel inference-time scaling setting we introduce. For inference-time, exploration with representation-based diversity improves efficiency, consistently improving pass@k rates across a variety of models and reasoning tasks. For example, for Qwen-2.5-14b-Instruct we obtain over 50% improvement in verifier efficiency on almost all tasks. For post-training, we show that integrating this exploration strategy into an RL pipeline improves reasoning performance over that of the initial model and over standard RL post-training. For example, on AIME 2024, our post-trained Qwen-2.5-7b-Instruct's pass@80 matches the pass@256 of GRPO on the same model, demonstrating a 3x improvement in test-time sample efficiency. Overall, our findings suggest that deliberate exploration -- with the right notion of diversity -- is a practical path toward discovery of new behaviors beyond sharpening.

  • 4 authors
·
Oct 13, 2025

SKILL0: In-Context Agentic Reinforcement Learning for Skill Internalization

Agent skills, structured packages of procedural knowledge and executable resources that agents dynamically load at inference time, have become a reliable mechanism for augmenting LLM agents. Yet inference-time skill augmentation is fundamentally limited: retrieval noise introduces irrelevant guidance, injected skill content imposes substantial token overhead, and the model never truly acquires the knowledge it merely follows. We ask whether skills can instead be internalized into model parameters, enabling zero-shot autonomous behavior without any runtime skill retrieval. We introduce SKILL0, an in-context reinforcement learning framework designed for skill internalization. SKILL0 introduces a training-time curriculum that begins with full skill context and progressively withdraws it. Skills are grouped offline by category and rendered with interaction history into a compact visual context, teaching he model tool invocation and multi-turn task completion. A Dynamic Curriculum then evaluates each skill file's on-policy helpfulness, retaining only those from which the current policy still benefits within a linearly decaying budget, until the agent operates in a fully zero-shot setting. Extensive agentic experiments demonstrate that SKILL0 achieves substantial improvements over the standard RL baseline (+9.7\% for ALFWorld and +6.6\% for Search-QA), while maintaining a highly efficient context of fewer than 0.5k tokens per step. Our code is available at https://github.com/ZJU-REAL/SkillZero.

  • 10 authors
·
Apr 1 5

Agent Skills Can Be Harmful: An Empirical Study of Skill-Induced Failures in LLM Agents

Agent skills are the de facto mechanism for extending LLM agents with reusable guidance. A skill can shape the agent's task execution, including planning, tool use, problem-solving, and validation. Prior work reported mixed results of agent skills: some skills improve task success rates, while others have no effect, increase token use and execution time, and even reduce success rates. This paper presents a comprehensive analysis of skill-induced agent failures by attributing task failures and cost regressions to specific loaded skills. We introduce a differential analysis framework that attributes a failure or regression to a skill by comparing a target skill-guided run against a no-skill or semantically matched skill reference run that solves the same task, or solves it more cheaply. We instantiate this framework on SkillsBench and SWE-Skills-Bench, yielding 307 skill-induced failures, including 125 functional failures and 182 efficiency regressions. We also build SkillTriage, a taxonomy-guided attribution tool that normalizes paired cases, extracts differential evidence, and produces triage reports. Our major findings include: (1) Skill induced functional failures are rarely caused by obviously irrelevant skills; instead, seemingly relevant skills often make the agent incorrectly implement or omit task-required implementation elements. (2) Skill-induced efficiency regressions are not explained by prompt length alone. (3) The largest sources within Excessive Procedure are excessive verification and heavy implementation pipelines, contributing 67 and 30 cases, respectively. This shows that skills often turn validation checklists and construction recipes into mandatory work. Based on our findings, we propose research topics and tooling improvements for safer and more cost-aware skill reuse.

  • 6 authors
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Aug 11

Uni-Skill: Building Self-Evolving Skill Repository for Generalizable Robotic Manipulation

While skill-centric approaches leverage foundation models to enhance generalization in compositional tasks, they often rely on fixed skill libraries, limiting adaptability to new tasks without manual intervention. To address this, we propose Uni-Skill, a Unified Skill-centric framework that supports skill-aware planning and facilitates automatic skill evolution. Unlike prior methods that restrict planning to predefined skills, Uni-Skill requests for new skill implementations when existing ones are insufficient, ensuring adaptable planning with self-augmented skill library. To support automatic implementation of diverse skills requested by the planning module, we construct SkillFolder, a VerbNet-inspired repository derived from large-scale unstructured robotic videos. SkillFolder introduces a hierarchical skill taxonomy that captures diverse skill descriptions at multiple levels of abstraction. By populating this taxonomy with large-scale, automatically annotated demonstrations, Uni-Skill shifts the paradigm of skill acquisition from inefficient manual annotation to efficient offline structural retrieval. Retrieved examples provide semantic supervision over behavior patterns and fine-grained references for spatial trajectories, enabling few-shot skill inference without deployment-time demonstrations. Comprehensive experiments in both simulation and real-world settings verify the state-of-the-art performance of Uni-Skill over existing VLM-based skill-centric approaches, highlighting its advanced reasoning capabilities and strong zero-shot generalization across a wide range of novel tasks.

  • 4 authors
·
Mar 3

MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

  • 9 authors
·
Oct 9, 2024

WikiSkill: Compiling Agent Experience into Persistent Knowledge for Skill Evolution

Agent skills package specialized knowledge and workflows into reusable resources that extend AI agent capabilities. Recent work automatically discovers such skills from agent experience, which enables agents to progressively adapt through interaction. However, the insights that guide skill development typically remain scattered across optimization histories, limiting their systematic reuse across iterations. We introduce WikiSkill, a framework that co-evolves agent skills with a persistent knowledge base (wiki). At a high level, WikiSkill separates raw execution experience, accumulated knowledge, and executable skills, while continuously consolidating experience into the wiki, which subsequent skill updates can build on. Across diverse benchmarks and models, WikiSkill consistently outperforms state-of-the-art skill-evolution methods and improves over no-skill baselines in most model-benchmark settings. We find that skill evolution complements model scaling: larger models generally benefit more from evolved skills, while smaller models with skills can outperform substantially larger models without them. We also find that evolved skills transfer effectively across models and model families, and skills evolved by other models can outperform self-evolved skills. Finally, our ablation studies confirm that persistent knowledge accumulation in the wiki is critical for effective skill evolution. These results demonstrate the benefits of systematically accumulating and refining agent experience for developing reusable and transferable skills.

google Google
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Aug 26 4

SkillCorpus: Consolidating and Evaluating the Open Skill Ecosystem for Real-World LLM Agents

Agent skills, SKILL.md files that package reusable procedural knowledge for an LLM agent, are a popular mechanism for extending agent capabilities. Public repositories now host them in large and growing numbers, yet these artifacts are fragmented, redundant, and uneven in quality, and their value in practice is unclear. A core question remains open, namely how to consolidate this open-source SKILL.md ecosystem into a single usable corpus, and what bounds its benefit on real-world agent tasks. We present SkillCorpus, a framework that aggregates, curates, matches, and evaluates the open skill ecosystem at scale. It filters ~821,000 crawled skills through a multi-stage pipeline into 96,401 skills organised by a 16-class taxonomy and three quality facets (utility, robustness, safety), and pairs them with a fine-tuned retrieval-and-selection stack that matches task-relevant skills. We evaluate end-to-end across three benchmarks (SkillsBench, GDPVal, QwenClawBench), two harnesses, and two open backbones with a frontier robustness check. Integrating SkillCorpus yields consistent gains across all three benchmarks, largest on SkillsBench (+7.5 pp). An operational analysis traces the gains to a coverage boundary and a harness boundary. SkillCorpus is, to our knowledge, the first end-to-end account of when a curated, retrieval-served community corpus improves real agent tasks, and where it does not. The dataset, models, and code will be released upon acceptance.

  • 8 authors
·
Jul 16

DrugPilot: LLM-based Parameterized Reasoning Agent for Drug Discovery

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained by challenges such as large-scale multimodal data processing, limited task automation, and poor support for domain-specific tools. To overcome these limitations, we introduce DrugPilot, a LLM-based agent system with a parameterized reasoning architecture designed for end-to-end scientific workflows in drug discovery. DrugPilot enables multi-stage research processes by integrating structured tool use with a novel parameterized memory pool. The memory pool converts heterogeneous data from both public sources and user-defined inputs into standardized representations. This design supports efficient multi-turn dialogue, reduces information loss during data exchange, and enhances complex scientific decision-making. To support training and benchmarking, we construct a drug instruction dataset covering eight core drug discovery tasks. Under the Berkeley function-calling benchmark, DrugPilot significantly outperforms state-of-the-art agents such as ReAct and LoT, achieving task completion rates of 98.0%, 93.5%, and 64.0% for simple, multi-tool, and multi-turn scenarios, respectively. These results highlight DrugPilot's potential as a versatile agent framework for computational science domains requiring automated, interactive, and data-integrated reasoning.

  • 6 authors
·
Jul 27, 2025

Evidence-Informed LLM Beliefs for Continual Scientific Discovery

Open-ended scientific discovery with large language models (LLMs) increasingly operates as a long-horizon loop of hypothesis search and verification, where a reward signal guides which hypotheses to test next. A notable recent example is AutoDiscovery, which uses "Bayesian surprise" - the belief shift an LLM undergoes after observing evidence for a hypothesis - as both a discovery metric and a reward for search. We first observe that AutoDiscovery treats surprisal as a static quantity, while surprisal in human reasoning is non-stationary - it is defined relative to beliefs that evolve with experience, a prerequisite for continual scientific discovery. We address this mismatch with evidence-informed LLM beliefs: priors updated with evidence from previous hypotheses to compute non-stationary surprisal for new hypotheses. We compare in-context belief-updating mechanisms and find that embedding-based retrieval-augmented generation over prior discoveries best anticipates eventual posteriors, identifying 37.5% of static surprisals as spurious. We then modify search to avoid these spurious rewards and prioritize hypotheses that remain surprising under non-stationary beliefs. Concretely, we introduce two complementary changes to the original search procedure: belief-update filtering and diversity maximization. Across five discovery domains, our method increases accumulated non-stationary surprisal by 30.62% on average compared to the original search procedure, demonstrating that continual scientific discovery with LLMs requires not only better belief measurement but also search procedures that avoid redundancy and encourage diversity.

  • 6 authors
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Jun 27

SkillRet: A Large-Scale Benchmark for Skill Retrieval in LLM Agents

As LLM agents are increasingly deployed with large libraries of reusable skills, selecting the right skill for a user request has become a critical systems challenge. In small libraries, users may invoke skills explicitly by name, but this assumption breaks down as skill ecosystems grow under tight context and latency budgets. Despite its practical importance, skill retrieval remains underexplored, with limited benchmarks and little understanding of retrieval behavior on realistic skill libraries. To address this gap, we introduce SkillRet, a large-scale benchmark for skill retrieval in LLM agents. SkillRet contains 17,810 public agent skills, organized with structured semantic tags and a two-level taxonomy spanning 6 major categories and 18 sub-categories. It provides 63,259 training samples and 4,997 evaluation queries with disjoint skill pools, enabling both benchmarking and retrieval-oriented training. Across a diverse set of retrievers, we find that skill retrieval remains far from solved: off-the-shelf models struggle on realistic large-scale skill libraries, and prior skill-retrieval models still leave substantial headroom. Task-specific fine-tuning on SkillRet substantially improves performance, improving NDCG@10 by +13.1 points over the strongest prior retriever and by +16.9 points over the strongest off-the-shelf retriever. Our analysis further suggests that these gains arise because fine-tuned models better focus on the small skill-relevant signals within long and noisy queries. These results establish SkillRet as a strong benchmark and foundation for future research on retrieval in large-scale agent systems.

  • 3 authors
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May 6

SkillGate: Training In-Policy Skill Selection in Long-Horizon Agents

Agent frameworks increasingly package procedural knowledge as skills: instruction files an agent reads on demand, while public libraries now hold thousands of them. Which skill to read has thus become a decision the policy itself makes in the middle of an episode, yet no existing signal trains it. We show that the default remedy, outcome-rewarded RL over the candidate slate, cannot teach it, for a structural reason we identify and name selector credit starvation: under a broadcast, sequence-level advantage, the few tokens that name the chosen skill carry a vanishing share of the loss, and the credit they inherit is increasingly wrong-signed as trajectories lengthen. A correct choice is punished whenever the execution after it fails, even though the choice itself is among the most valuable decisions in the trajectory. Auditing a completed run's own training artifacts confirms all three properties, each worsening monotonically with horizon. SkillGate removes the failure by construction: it partitions the token support into two disjoint credit channels, outcome credit reaching only execution tokens, and a separate action-local advantage reaching exactly the skill-naming tokens, positive only when a trajectory's single read is the correct one. On five agentic benchmarks under a 16-candidate slate, SkillGate lifts a 9B policy from 40.8% to 53.2% trial success, well ahead of the identical budget spent on outcome reward alone, while cutting exposure to misleading candidates by two thirds and reading fewer skills.

MIND-Skill: Quality-Guaranteed Skill Generation via Multi-Agent Induction and Deduction

Large language model (LLM) powered AI agents have emerged as a promising paradigm for autonomous problem-solving, yet they continue to struggle with complex, multi-step real-world tasks that demand domain-specific procedural knowledge. Reusable agent skills, which encapsulate successful problem-solving strategies, offer a natural remedy by enabling agents to build on prior experience. However, curating such skills has largely remained a manual endeavor, requiring human experts to distill rich domain knowledge into actionable guidelines. In this work, we present Multi-agent INduction and Deduction for Skills (MIND-Skill), a framework that automatically induces generalizable skills from successful trajectories with robust quality guarantees. MIND-Skill consists of an induction agent which is tasked to abstract reusable skills from successful trajectories, and a deduction agent which aims to reconstruct trajectories by following the induced skills. To guarantee the quality of the generated skills, we introduce a reconstruction loss that compares input and reconstructed trajectories, an outcome loss that enforces the correctness of the reconstructed trajectories, and a rubric loss that assesses the documentation quality and regularizes the abstraction level of the generated skills according to predefined criteria. These textual losses are jointly optimized with TextGrad, and the resulting skills are evaluated on held-out tasks unseen during optimization. Experiments on AppWorld and BFCL-v3 show that MIND-Skill consistently outperforms concurrent skill generation methods.

  • 6 authors
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May 8

Evaluating Large Language Models in Scientific Discovery

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation that drive scientific discovery. We introduce a scenario-grounded benchmark that evaluates LLMs across biology, chemistry, materials, and physics, where domain experts define research projects of genuine interest and decompose them into modular research scenarios from which vetted questions are sampled. The framework assesses models at two levels: (i) question-level accuracy on scenario-tied items and (ii) project-level performance, where models must propose testable hypotheses, design simulations or experiments, and interpret results. Applying this two-phase scientific discovery evaluation (SDE) framework to state-of-the-art LLMs reveals a consistent performance gap relative to general science benchmarks, diminishing return of scaling up model sizes and reasoning, and systematic weaknesses shared across top-tier models from different providers. Large performance variation in research scenarios leads to changing choices of the best performing model on scientific discovery projects evaluated, suggesting all current LLMs are distant to general scientific "superintelligence". Nevertheless, LLMs already demonstrate promise in a great variety of scientific discovery projects, including cases where constituent scenario scores are low, highlighting the role of guided exploration and serendipity in discovery. This SDE framework offers a reproducible benchmark for discovery-relevant evaluation of LLMs and charts practical paths to advance their development toward scientific discovery.

  • 56 authors
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Dec 17, 2025

Dynamic Agent Skills: A Lifecycle Survey and Taxonomy of Evolving Skill Libraries

Large language model agents increasingly store reusable procedures outside the model. These reusable procedures are often called skills: they may be code functions, natural-language instructions, SKILL.md packages, workflow graphs, or learned adapters that a future agent can retrieve and invoke. This taxonomy-driven survey asks how such skill libraries change over time. Across a 124-paper 2023--2026 audit set, we synthesize dynamic skill systems as lifecycle-managed, verified, evolving artifact stores: agents collect evidence from interaction, propose skill updates, verify and admit candidates, organize them for retrieval and composition, repair or prune stale entries, and govern sharing through provenance and rollback. We organize the literature around three survey tools. First, a six-sense taxonomy distinguishes the structurally different artifacts called ``skills'' in current papers. Second, an eight-stage lifecycle architecture identifies the recurring design decisions behind evidence acquisition, proposal, verification/admission, storage, retrieval/composition, maintenance, distillation/portability, and governance. Third, a lightweight skill-record schema and ten-operator vocabulary provide common terms for comparing library updates without elevating them into a separate method contribution. Using this structure, we synthesize evidence-graded patterns with explicit caveats: admission and repair are repeatedly important, verifier quality materially affects skill-aware RL, flat retrieval can degrade as libraries grow, and current benchmarks still under-report library trajectories, usage--utility gaps, and safety surfaces. We close with concrete reporting standards and open problems for evaluating dynamic skills as changing libraries rather than static prompt or tool collections.

  • 1 authors
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Jul 10

From Raw Experience to Skill Consumption: A Systematic Study of Model-Generated Agent Skills

Language agents increasingly improve by reusing skills -- structured procedural artifacts distilled from past experience. In particular, domain-level and model-generated skills are especially promising. They offer fast adaptation within a domain by encoding domain-specific recurring procedures, and they scale beyond labor-intensive hand-crafting. However, while extraction methods continue to proliferate, understanding remains limited, with no comprehensive study spanning the full skill lifecycle -- experience generation, skill extraction, and skill consumption -- to ask whether such skills actually work, when they work, and what makes them succeed or fail. To close this gap, we build a utility-grounded evaluation framework that provides systematic experimental results across extractors and target agents, covering five diverse agentic task domains. We find that model-generated skills are beneficial on average but exhibit non-trivial negative transfer, and that neither extractors nor targets behave uniformly. A model can be a strong extractor yet a weak consumer, or vice versa, with skill utility independent of model scale or baseline task strength. To explain these patterns, we then dissect each lifecycle stage in depth, analyzing how experience composition shapes skill quality, what properties characterize useful skills, and how the same skill transfers across different consumers. Finally, we translate these findings into a concrete meta-skill that guides skill extraction toward the features tied to actual utility, which consistently improves skill quality across domains and substantially reduces negative transfer.

Spacer: Towards Engineered Scientific Inspiration

Recent advances in LLMs have made automated scientific research the next frontline in the path to artificial superintelligence. However, these systems are bound either to tasks of narrow scope or the limited creative capabilities of LLMs. We propose Spacer, a scientific discovery system that develops creative and factually grounded concepts without external intervention. Spacer attempts to achieve this via 'deliberate decontextualization,' an approach that disassembles information into atomic units - keywords - and draws creativity from unexplored connections between them. Spacer consists of (i) Nuri, an inspiration engine that builds keyword sets, and (ii) the Manifesting Pipeline that refines these sets into elaborate scientific statements. Nuri extracts novel, high-potential keyword sets from a keyword graph built with 180,000 academic publications in biological fields. The Manifesting Pipeline finds links between keywords, analyzes their logical structure, validates their plausibility, and ultimately drafts original scientific concepts. According to our experiments, the evaluation metric of Nuri accurately classifies high-impact publications with an AUROC score of 0.737. Our Manifesting Pipeline also successfully reconstructs core concepts from the latest top-journal articles solely from their keyword sets. An LLM-based scoring system estimates that this reconstruction was sound for over 85% of the cases. Finally, our embedding space analysis shows that outputs from Spacer are significantly more similar to leading publications compared with those from SOTA LLMs.

  • 16 authors
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Aug 25, 2025 2

Characterizing Model-Native Skills

Skills are a natural unit for describing what a language model can do and how its behavior can be changed. However, existing characterizations rely on human-written taxonomies, textual descriptions, or manual profiling pipelines--all external hypotheses about what matters that need not align with the model's internal representations. We argue that when the goal is to intervene on model behavior, skill characterization should be *model-native*: grounded in the model's own representations rather than imposed through external ontologies. We instantiate this view by recovering a compact orthogonal basis from sequence-level activations. The resulting basis is semantically interpretable but need not correspond to any predefined human ontology; instead, it captures axes of behavioral variation that the model itself organizes around. We validate this characterization on reasoning post-training, using the recovered basis for both SFT data selection and inference-time steering. We develop lightweight proxy interventions to identify which directions are most useful for a given model. Across Llama3-8B and Qwen2.5-3B, selecting data along those directions improves Pass@1 by up to 20% on MATH and 41% on AMC, outperforming data selection based on human-characterized skills. Because the basis lives in activation space, the same directions also serve as steering vectors at inference time, improving Pass@8 by up to 4.8% on MATH--an intervention that human-characterized skills cannot support. We further validate the characterization on safety alignment, where selecting adversarial training data for model-native skill coverage rather than textual diversity yields more sample-efficient learning. These results suggest that recovering skills from the model's own representations, rather than imposing them externally, provides a more effective foundation for intervening on model behavior. Codes are open-sourced.

  • 4 authors
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Apr 18

Right Family, Wrong Skill: Benchmarking Risk Exposure in Agent Skill Retrieval

Agent skill libraries are becoming routable software assets: a retrieved skill can contribute instructions, scripts, resource bindings, and execution assumptions to an agent. This makes retrieval failures more specific than broad irrelevance. A system can find the right capability family yet expose the wrong same-capability representative. We study this failure as same-capability risk-exposure retrieval. Each benchmark unit pairs a helpful skill with a query-specific risky sibling that shares the capability family but differs on an execution-controlling contract, such as the required resource, precondition, procedure, or artifact. We introduce SameCapRisk-Bench, an auditable benchmark with 1,190 skill-risk units and 1,686 evaluation query cases: 694 marked-sibling units under public library pressure and 496 hard role-flip units where the same two skills swap helpful/risky roles across paired queries. The release records admission evidence, cue/leakage checks, source hashes, family relations, and fixed candidate pools. The benchmark reports helpful ranking together with harmful sibling rate (HSR@K), the top-K exposure of the marked risky sibling. On this benchmark, public SkillRouter, SkillRet, and R3-Skill retrieve helpful skills at high Recall@3 (0.848--0.888) but also expose marked risky siblings frequently (HSR@3 0.346--0.372). A fully public score-and-cluster pipeline lowers HSR@3 to 0.128--0.182, with Recall@3 of 0.713--0.776. Under a benchmark-trained reference scorer, public text-cluster and controlled resolvers reach HSR@3 0.012 and 0.007; the latter attains Recall@3 0.833. Skill retrieval should therefore report both capability matching and same-family risk exposure, with HSR serving as a targeted exposure certificate for fixed skill libraries.

  • 4 authors
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Aug 19

COLLEAGUE.SKILL: Automated AI Skill Generation via Expert Knowledge Distillation

LLM agents are increasingly expected not only to complete isolated tasks, but also to carry bounded representations of human expertise, judgment, and interaction style. Building such person-grounded agents remains difficult because actionable knowledge associated with a person or role is usually embedded in heterogeneous traces rather than written as clean instructions. Existing memory and persona systems capture fragments of this evidence, while skill frameworks provide portable packaging formats; however, there is no end-to-end workflow for distilling these traces into inspectable, correctable, and agent-usable skills. We present an automated trace-to-skill distillation system for generating person-grounded AI skills via expert knowledge distillation. Given materials from a target person or role, COLLEAGUE.SKILL produces a versioned skill package with two coordinated tracks: a capability track for practices, mental models, and decision heuristics, and a bounded behavior track for communication style, interaction rules, and correction history. The package can be inspected, invoked, updated through natural-language feedback, rolled back, installed across agent hosts, and optionally prepared for controlled distribution. We describe the artifact contract, generation workflow, correction lifecycle, deployment surface, and domain presets implemented in the open-source system. At the time of writing, the public repository has approximately 18.5k GitHub stars; the gallery lists 215 skills from 165 contributors and more than 100k cumulative stars across listed skill cards. The system illustrates how person-grounded skills can be represented as portable, correctable packages rather than opaque prompts or hidden memories.

Skill-Use: Can LLMs Actually Use Skills in Agentic Harnesses?

Large language model (LLM) agents increasingly rely on skills, structured documents that specify when to act, which procedure to follow, and which tools are allowed. Existing evaluations mostly judge the quality of a skill or its contribution to task success, leaving unexamined whether an agent can recognize a relevant skill and apply it on its own. We introduce Skill-Use, a benchmark that evaluates skill use under progressive disclosure, where an agent sees only a skill's name and short description and must retrieve the full procedure before following it. Skill-Use separates three facets of skill use. Trigger measures whether the agent invokes the relevant skill, Compliance measures how faithfully it follows the prescribed procedure, and Boundary measures whether it avoids forbidden operations. A Skill-Use (SU) score combines the three and credits execution only after the skill is triggered. Skill-Use pairs 79 real skills with 177 executable tasks across nine domains, each grounded in real files, run in an isolated Docker sandbox, and scored by a trajectory-based rubric. Evaluating eight LLMs under two agent harnesses, we find that reliable skill use remains out of reach, as the strongest configuration reaches an SU of only 0.613. Triggering and procedural compliance fail as independent bottlenecks, and both scores and model rankings shift with the harness, so skill use behaves as a capability conditioned on the harness rather than a fixed property of the model.

  • 9 authors
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Aug 4

How Well Do Agentic Skills Work in the Wild: Benchmarking LLM Skill Usage in Realistic Settings

Agent skills, which are reusable, domain-specific knowledge artifacts, have become a popular mechanism for extending LLM-based agents, yet formally benchmarking skill usage performance remains scarce. Existing skill benchmarking efforts focus on overly idealized conditions, where LLMs are directly provided with hand-crafted, narrowly-tailored task-specific skills for each task, whereas in many realistic settings, the LLM agent may have to search for and select relevant skills on its own, and even the closest matching skills may not be well-tailored for the task. In this paper, we conduct the first comprehensive study of skill utility under progressively challenging realistic settings, where agents must retrieve skills from a large collection of 34k real-world skills and may not have access to any hand-curated skills. Our findings reveal that the benefits of skills are fragile: performance gains degrade consistently as settings become more realistic, with pass rates approaching no-skill baselines in the most challenging scenarios. To narrow this gap, we study skill refinement strategies, including query-specific and query-agnostic approaches, and we show that query-specific refinement substantially recovers lost performance when the initial skills are of reasonable relevance and quality. We further demonstrate the generality of retrieval and refinement on Terminal-Bench 2.0, where they improve the pass rate of Claude Opus 4.6 from 57.7% to 65.5%. Our results, consistent across multiple models, highlight both the promise and the current limitations of skills for LLM-based agents. Our code is available at https://github.com/UCSB-NLP-Chang/Skill-Usage.

Generative Skill Composition for LLM Agents

Recent LLM agents benefit from skills for solving complex tasks. Skills encapsulate modular packages of procedural knowledge and instructions for performing specialized tasks, such as setting up a sandboxed environment, running a test suite, or refactoring a function across multiple files. As skill libraries grow and become reusable across tasks and domains, selecting an appropriate skill composition has emerged as a central bottleneck. Existing approaches fall into two categories. One exposes the agent's reasoning to the entire skill collection; the other performs skill retrieval via embeddings or LLM-based rerankers. Both provide useful insights; however, they miss the structural nature of skill composition, which is a joint decision over which skills, how many, and in what order -- three dimensions that cannot be decoupled. We formalize this as structured skill composition: given a task and a skill library, predict an executable skill plan that jointly specifies the activated subset, count, and execution order. We propose SkillComposer, which instantiates structured skill composition as task-conditioned skill sequence prediction. SkillComposer uses a constrained autoregressive decoder over skill identifiers, so subset, count, and order emerge jointly from a single decoding pass, and dependencies between successive skills are captured naturally. We build a training set of task-composition pairs from a real, human-curated skill library. We then evaluate SkillComposer along two axes: composition quality on a held-out test set, and downstream task success on SkillsBench across two production-grade coding agents. On GPT-5.2-Codex, Gemini-3-Pro-Preview, SkillComposer raises the pass rate by +23.1, +18.2pp over the no-skill baseline, surpassing top-3 retrieval and matching the gold-skill retrieval upper bound at lower prompt-token cost.

  • 8 authors
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Jun 30

Skill Is Not Document: A Query-Conditional Benchmark and Two-Stage Retriever for LLM Agent Skill Routing

LLM agents often solve complex tasks by composing skills, making skill retrieval a front-end component of agent systems. Unlike document retrieval, top-K correctness in skill retrieval depends not only on the relevance of each query-skill pair, but also on whether the retrieved skills can work together under the query. This query-conditioned "skill compatibility" cannot be recovered from independent relevance alone. However, LLM-based synthesis pipelines already produce a useful signal for it: the LLM's own rejection decisions, which specify which skills should not be retrieved together for a given query, but are usually discarded as low-quality data. We propose Reject-as-Resource Retriever (R3) and construct R3-Skill, a bilingual (Chinese-English) benchmark for agent skill routing. R3-Skill covers four language directions and uses LLM-rewritten queries that better approximate user requests; its test-set ground truth is verified by multiple experts. It contains 10,246 skills grouped into 8 thematic super-domains, 41,592 accepted queries, and 32,828 LLM-rejected annotations, further organized into an 8-class rejection-reason taxonomy. R3-Skill keeps this normally discarded rejection signal and uses it as compatibility supervision. On R3-Skill, we train a two-stage retriever consisting of R3-Embedding and R3-Reranker. Gradient analysis explains why this query-conditional signal is weak when injected into the tested bi-encoder objective under bilateral balancing, while a cross-encoder can use it as graded ranking supervision; R3-Skill ablations support this split. The R3-Embedding + R3-Reranker pipeline reaches Hit@1 = 0.7521, NDCG@10 = 0.8173 and Set-Compat = 0.3188 on R3-Skill. The dataset, model weights, and evaluation scripts will be open-sourced.

  • 5 authors
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Jun 13

Skill Retrieval Augmentation for Agentic AI

As large language models (LLMs) evolve into agentic problem solvers, they increasingly rely on external, reusable skills to handle tasks beyond their native parametric capabilities. In existing agent systems, the dominant strategy for incorporating skills is to explicitly enumerate available skills within the context window. However, this strategy fails to scale: as skill corpora expand, context budgets are consumed rapidly, and the agent becomes markedly less accurate in identifying the right skill. To this end, this paper formulates Skill Retrieval Augmentation (SRA), a new paradigm in which agents dynamically retrieve, incorporate, and apply relevant skills from large external skill corpora on demand. To make this problem measurable, we construct a large-scale skill corpus and introduce SRA-Bench, the first benchmark for decomposed evaluation of the full SRA pipeline, covering skill retrieval, skill incorporation, and end-task execution. SRA-Bench contains 5,400 capability-intensive test instances and 636 manually constructed gold skills, which are mixed with web-collected distractor skills to form a large-scale corpus of 26,262 skills. Extensive experiments show that retrieval-based skill augmentation can substantially improve agent performance, validating the promise of the paradigm. At the same time, we uncover a fundamental gap in skill incorporation: current LLM agents tend to load skills at similar rates, regardless of whether a gold skill is retrieved or whether the task actually requires external capabilities. This shows that the bottleneck in skill augmentation lies not only in retrieval but also in the base model's ability to determine which skill to load and when external loading is actually needed. These findings position SRA as a distinct research problem and establish a foundation for the scalable augmentation of capabilities in future agent systems.

  • 7 authors
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Apr 26

Intelligent Go-Explore: Standing on the Shoulders of Giant Foundation Models

Go-Explore is a powerful family of algorithms designed to solve hard-exploration problems, built on the principle of archiving discovered states, and iteratively returning to and exploring from the most promising states. This approach has led to superhuman performance across a wide variety of challenging problems including Atari games and robotic control, but requires manually designing heuristics to guide exploration, which is time-consuming and infeasible in general. To resolve this, we propose Intelligent Go-Explore (IGE) which greatly extends the scope of the original Go-Explore by replacing these heuristics with the intelligence and internalized human notions of interestingness captured by giant foundation models (FMs). This provides IGE with a human-like ability to instinctively identify how interesting or promising any new state is (e.g. discovering new objects, locations, or behaviors), even in complex environments where heuristics are hard to define. Moreover, IGE offers the exciting and previously impossible opportunity to recognize and capitalize on serendipitous discoveries that cannot be predicted ahead of time. We evaluate IGE on a range of language-based tasks that require search and exploration. In Game of 24, a multistep mathematical reasoning problem, IGE reaches 100% success rate 70.8% faster than the best classic graph search baseline. Next, in BabyAI-Text, a challenging partially observable gridworld, IGE exceeds the previous SOTA with orders of magnitude fewer online samples. Finally, in TextWorld, we show the unique ability of IGE to succeed in settings requiring long-horizon exploration where prior SOTA FM agents like Reflexion completely fail. Overall, IGE combines the tremendous strengths of FMs and the powerful Go-Explore algorithm, opening up a new frontier of research into creating more generally capable agents with impressive exploration capabilities.

  • 3 authors
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May 23, 2024

SkillForge: Forging Domain-Specific, Self-Evolving Agent Skills in Cloud Technical Support

Deploying LLM-powered agents in enterprise scenarios such as cloud technical support demands high-quality, domain-specific skills. However, existing skill creators lack domain grounding, producing skills poorly aligned with real-world task requirements. Moreover, once deployed, there is no systematic mechanism to trace execution failures back to skill deficiencies and drive targeted refinements, leaving skill quality stagnant despite accumulating operational evidence. We introduce SkillForge, a self-evolving framework that closes an end-to-end creation-evaluation-refinement loop. To produce well-aligned initial skills, a Domain-Contextualized Skill Creator grounds skill synthesis in knowledge bases and historical support tickets. To enable continuous self-optimization, a three-stage pipeline -- Failure Analyzer, Skill Diagnostician, and Skill Optimizer -- automatically diagnoses execution failures in batch, pinpoints the underlying skill deficiencies, and rewrites the skill to eliminate them. This cycle runs iteratively, allowing skills to self-improve with every round of deployment feedback. Evaluated on five real-world cloud support scenarios spanning 1,883 tickets and 3,737 tasks, experiments show that: (1) the Domain-Contextualized Skill Creator produces substantially better initial skills than the generic skill creator, as measured by consistency with expert-authored reference responses from historical tickets; and (2) the self-evolution loop progressively improves skill quality from diverse starting points (including expert-authored, domain-created, and generic skills) across successive rounds, demonstrating that automated evolution can surpass manually curated expert knowledge.

  • 6 authors
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Apr 8

Model Discovery Agent: LLM-assisted Bayesian experiment design for data-efficient discovery of mechanistic world models

Predicting the answer to interventional ``what if'' questions --- the outcome of an action never taken --- requires a mechanistic, causal model, not a curve fit; and learning such a model requires experiments, because passive data leaves its mechanisms unidentified. Experiments are expensive, so the central problem is data efficiency. We present the Model Discovery Agent (MDA), which couples a large language model (LLM), used as a proposer of candidate structures, with standard Bayesian machinery --- sequential Monte Carlo (SMC) for parameter and structure posteriors, simulation-based inference (SBI) for intractable likelihoods, and value-of-information (VoI) for experiment design --- to discover latent mechanistic world models from few interventions. MDA operates in the M-open setting: when the truth lies outside the current hypothesis class, a predictive check flags the inadequacy and the proposer expands the hypothesis space with a new model whose parameters are then identified by designed experiments. We show that discovery and design reinforce: the design step identifies the mechanism the discovery step proposes, and the identified mechanism improves predictions, enabling further discoveries from the remaining unexplained residuals. On three different benchmarks --- covering physics (\DPbench, wiemann2026discoverphysics), chemistry (\CHEMbench, kabra2026autoscilab) and biology (\HHbench, a new partially observed single-neuron electrophysiology benchmark we create) --- we show that MDA sets a new SOTA in terms of data-efficient model learning and reliable interventional prediction ability.

  • 1 authors
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Aug 12

Memento-Skills: Let Agents Design Agents

We introduce Memento-Skills, a generalist, continually-learnable LLM agent system that functions as an agent-designing agent: it autonomously constructs, adapts, and improves task-specific agents through experience. The system is built on a memory-based reinforcement learning framework with stateful prompts, where reusable skills (stored as structured markdown files) serve as persistent, evolving memory. These skills encode both behaviour and context, enabling the agent to carry forward knowledge across interactions. Starting from simple elementary skills (like Web search and terminal operations), the agent continually improves via the Read--Write Reflective Learning mechanism introduced in Memento~2~wang2025memento2. In the read phase, a behaviour-trainable skill router selects the most relevant skill conditioned on the current stateful prompt; in the write phase, the agent updates and expands its skill library based on new experience. This closed-loop design enables continual learning without updating LLM parameters, as all adaptation is realised through the evolution of externalised skills and prompts. Unlike prior approaches that rely on human-designed agents, Memento-Skills enables a generalist agent to design agents end-to-end for new tasks. Through iterative skill generation and refinement, the system progressively improves its own capabilities. Experiments on the General AI Assistants benchmark and Humanity's Last Exam demonstrate sustained gains, achieving 26.2\% and 116.2\% relative improvements in overall accuracy, respectively. Code is available at https://github.com/Memento-Teams/Memento-Skills.

KwaiAgents: Generalized Information-seeking Agent System with Large Language Models

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast amounts of information in their brains, humans excel in critical thinking, planning, reflection, and harnessing available tools to interact with and interpret the world, enabling them to find answers efficiently. The recent advancements in large language models (LLMs) suggest that machines might also possess the aforementioned human-like capabilities, allowing them to exhibit powerful abilities even with a constrained parameter count. In this paper, we introduce KwaiAgents, a generalized information-seeking agent system based on LLMs. Within KwaiAgents, we propose an agent system that employs LLMs as its cognitive core, which is capable of understanding a user's query, behavior guidelines, and referencing external documents. The agent can also update and retrieve information from its internal memory, plan and execute actions using a time-aware search-browse toolkit, and ultimately provide a comprehensive response. We further investigate the system's performance when powered by LLMs less advanced than GPT-4, and introduce the Meta-Agent Tuning (MAT) framework, designed to ensure even an open-sourced 7B or 13B model performs well among many agent systems. We exploit both benchmark and human evaluations to systematically validate these capabilities. Extensive experiments show the superiority of our agent system compared to other autonomous agents and highlight the enhanced generalized agent-abilities of our fine-tuned LLMs.

  • 8 authors
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Dec 8, 2023