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Related papers: SkillCraft: Can LLM Agents Learn to Use Tools Skil…

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The integration of tool use into large language models (LLMs) enables agentic systems with real-world impact. In the meantime, unlike standalone LLMs, compromised agents can execute malicious workflows with more consequential impact,…

Cryptography and Security · Computer Science 2025-02-17 Jizhou Chen , Samuel Lee Cong

For agentic systems to use external tools to solve complex, long-horizon tasks, we need a large set of diverse and controllable tool-use environments. We introduce SynthTools, a fully LLM-based pipeline spanning the entire lifecycle:…

Artificial Intelligence · Computer Science 2026-05-28 Tommaso Castellani , Naimeng Ye , Daksh Mittal , Thomson Yen , Emmanouil Koukoumidis , William Zeng , Hongseok Namkoong

Recent advances in code generation models have unlocked unprecedented opportunities for automating feature engineering, yet their adoption in real-world ML teams remains constrained by critical challenges: (i) the scarcity of datasets…

Machine Learning · Computer Science 2026-01-19 Himanshu Thakur , Anusha Kamath , Anurag Muthyala , Dhwani Sanmukhani , Smruthi Mukund , Jay Katukuri

Agentic systems operating over large tool ecosystems must plan and execute long-horizon workflows under weak or non-verifiable supervision. While frontier models mitigate these challenges through scale and large context budgets, small…

Machine Learning · Computer Science 2026-03-10 Karan Gupta , Pranav Vajreshwari , Yash Pandya , Raghav Magazine , Akshay Nambi , Ahmed Awadallah

Agent skills are increasingly used to configure coding agents for software engineering (SE) tasks, yet current practice treats them as static, hand-crafted assets, or evolved on pass rate alone. This is insufficient: a skill can improve…

Software Engineering · Computer Science 2026-05-19 Jingzhi Gong , Ruizhen Gu , Zhiwei Fei , Yazhuo Cao , Lukas Twist , Alina Geiger , Shuo Han , Dominik Sobania , Federica Sarro , Jie M. Zhang

Practising and honing skills forms a fundamental component of how humans learn, yet artificial agents are rarely specifically trained to perform them. Instead, they are usually trained end-to-end, with the hope being that useful skills will…

Machine Learning · Computer Science 2022-08-17 Michael Matthews , Mikayel Samvelyan , Jack Parker-Holder , Edward Grefenstette , Tim Rocktäschel

Although LLM-based agents are proven to master tool orchestration in scientific fields, particularly chemistry, their single-task performance remains limited by underlying tool constraints. To this end, we propose tool amplification, a…

Machine Learning · Computer Science 2026-04-20 Zhucong Li , Powei Chang , Jin Xiao , Zhijian Zhou , Qianyu He , Jiaqing Liang , Fenglei Cao , Xu Yinghui , Yuan Qi

Large language models (LLMs) have achieved remarkable progress in complex reasoning tasks, yet they remain fundamentally limited by their reliance on static internal knowledge and text-only reasoning. Real-world problem solving often…

Artificial Intelligence · Computer Science 2025-05-06 Joykirat Singh , Raghav Magazine , Yash Pandya , Akshay Nambi

AI agents are increasingly deployed in multi-tenant cloud environments, where they execute diverse tool calls within sandboxed containers, each call with distinct resource demands and rapid fluctuations. We present a systematic…

Operating Systems · Computer Science 2026-02-24 Yusheng Zheng , Jiakun Fan , Quanzhi Fu , Yiwei Yang , Wei Zhang , Andi Quinn

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational…

Advances in large language models (LLMs) are rapidly transforming scientific work, yet empirical evidence on how these systems reshape research activities remains limited. We report a mixed-methods pilot evaluation of an AI-orchestrated…

Computers and Society · Computer Science 2026-02-24 Yuan An

While most efforts to improve LLM-based tool-using agents focus on the agent itself - through larger models, better prompting, or fine-tuning - agent performance increasingly plateaus due to the quality of the tool interfaces these agents…

Artificial Intelligence · Computer Science 2026-04-30 Ruocheng Guo , Kaiwen Dong , Xiang Gao , Kamalika Das

Generalizing from individual skill executions to solving long-horizon tasks remains a core challenge in building autonomous agents. A promising direction is learning high-level, symbolic abstractions of the low-level skills of the agents,…

Scientific research increasingly relies on specialized computational tools, yet effectively utilizing these tools demands substantial domain expertise. While Large Language Models (LLMs) show promise in tool automation, they struggle to…

Artificial Intelligence · Computer Science 2025-07-29 Keyan Ding , Jing Yu , Junjie Huang , Yuchen Yang , Qiang Zhang , Huajun Chen

Recent advances in AI-assisted programming have empowered agents to execute complex workflows via command-line interfaces, however, existing benchmarks are limited by short task horizons, data contamination from GitHub scraping, and a lack…

Reusable skills are becoming a common interface for extending large language model agents, packaging procedural guidance with access to files, tools, memory, and execution environments. However, this modularity introduces attack surfaces…

Cryptography and Security · Computer Science 2026-05-28 Chang Jin , An Wang , Zeming Wei , Kai Wang , Biaojie Zeng , Qiaosheng Zhang , Chao Yang , Jingjing Qu , Xia Hu , Xingcheng Xu

We present SkillGPT, a tool for skill extraction and standardization (SES) from free-style job descriptions and user profiles with an open-source Large Language Model (LLM) as backbone. Most previous methods for similar tasks either need…

Computation and Language · Computer Science 2023-10-19 Nan Li , Bo Kang , Tijl De Bie

Recently, large language models (LLMs) have demonstrated remarkable problem-solving capabilities by autonomously integrating with external tools for collaborative reasoning. However, due to the inherently complex and diverse nature of…

Artificial Intelligence · Computer Science 2025-11-03 Mengjie Deng , Guanting Dong , Zhicheng Dou

Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…

Chemical Physics · Physics 2025-06-11 Thang D. Pham , Aditya Tanikanti , Murat Keçeli

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald