cs.AINov 2, 2026

ScienceCUA: Resource-to-Skill Construction and Execution-Guided Skill Evolution for Scientific Computer Use Agents

Authors: Daiqiang Li, Jingyi Peng, Rui Hu, Jia Li, Xuyang Liu, Guanren Qiao, Yujia Xiang, Qiuzhuang Sun, 

Organizations: DeepAutonomy Technology Co., Ltd. · Peking University · College of AI, Tsinghua University · The Hong Kong Polytechnic University · 

Abstract

Computer-use agents for scientific software require application-specific expertise. Much of this expertise is documented in human-authored software manuals and web pages. However, turning these resources into executable, reusable skills remains challenging due to mismatches between documented and deployed software versions and differences in scope between documentation coverage and task requirements. We introduce ScienceCUA, a two-stage framework combining resource-to-skill construction with execution-guided skill evolution. First, ScienceCUA identifies tasks supported by the software from its documentation, infers operational trajectories, and generalizes them into reusable Skills. Command catalogs, syntax constraints, and shortcuts are organized separately as References for on-demand lookup. Then, ScienceCUA uses execution feedback to drive skill self-evolution by contrasting successful and failed trajectories for the same task, identifying deficiencies, revising existing skills or adding new ones, and updating the skill library only after repeated validation in real environments. To enable reliable evaluation without benchmark noise or task leakage, we introduce two improved benchmarks. ScienceBoard-Verified provides an audited and corrected basis for measuring task performance, while ScienceBoard-VE separates skill evolution from final testing through disjoint evolution and test tasks and further supports native-agent evaluation. Experiments show that the initial Skills and References improve average task success rate by up to 7.23 percentage points over the base model, while skill self-evolution increases the total gain over the baseline to as much as 17.12 percentage points. ScienceCUA turns software documentation into an evolving set of executable skills and queryable references, offering a practical way for general-purpose agents to use scientific software reliably and at scale.

Figures & tables

Appendix figures & tables5 assets

Supplementary material from the paper’s appendix.

Appendix

Explore similar work

Apr 5, 2026

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.
Mar 3, 2026

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.
Aug 30, 2026

Scientific Agent Skills: A Library of Procedural Knowledge for Research Agents

A language-model agent asked to analyse an experiment will usually return working code. Whether the analysis is defensible is a different question. A defensible analysis depends on procedural choices: which test the field accepts, which identifier namespace is authoritative, and which caveats must accompany a result. We present Scientific Agent Skills, an open library of 163 such procedures in 16 areas of practice, including genomics, cheminformatics, medical imaging, study design and scientific communication. Each skill is a directory built around a versioned, human-readable instruction file. An agent loads the file only when a task calls for it; the directory often also contains reference material and runnable scripts. We report no task-level evaluation and no host selection rate. We measure two properties of the documentation corpus: the always-resident descriptions of all 163 skills cost 7.1% of a 200,000-token window, and the median documented workflow fits within 23.9% of it, although 29 of 46 would overflow if every reference file were loaded. Openly licensed and available at https://github.com/K-Dense-AI/scientific-agent-skills.