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The recent trend of using Large Language Models (LLMs) as tool agents in real-world applications underscores the necessity for comprehensive evaluations of their capabilities, particularly in complex scenarios involving planning, creating,…

Computation and Language · Computer Science 2024-06-04 Shijue Huang , Wanjun Zhong , Jianqiao Lu , Qi Zhu , Jiahui Gao , Weiwen Liu , Yutai Hou , Xingshan Zeng , Yasheng Wang , Lifeng Shang , Xin Jiang , Ruifeng Xu , Qun Liu

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

Agent skills are increasingly used to extend LLM agents with task-specific instructions, executable scripts, and auxiliary resources. While improving reusability, this modular design also introduces a new supply-chain attack surface: a…

Cryptography and Security · Computer Science 2026-05-19 Xiaojun Jia , Jie Liao , Simeng Qin , Jindong Gu , Wenqi Ren , Xiaochun Cao , Yang Liu , Philip Torr

Compound AI systems promise capabilities beyond those of individual models, yet their success depends critically on effective orchestration. Existing routing approaches face two limitations: (1) input-level routers make coarse query-level…

Artificial Intelligence · Computer Science 2026-02-24 Jiayu Wang , Yifei Ming , Zixuan Ke , Shafiq Joty , Aws Albarghouthi , Frederic Sala

Training large language models (LLMs) to reason via reinforcement learning (RL) significantly improves their problem-solving capabilities. In agentic settings, existing methods like ReAct prompt LLMs to explicitly plan before every action;…

Large Language Model (LLM)-based agents are increasingly deployed for complex, tool-based tasks where long-term memory is critical to driving actions. Existing benchmarks, however, primarily test a angent's ability to passively retrieve…

Computation and Language · Computer Science 2026-01-29 Yiting Shen , Kun Li , Wei Zhou , Songlin Hu

Small LLMs often struggle to match the agentic capabilities of large, costly models. While reinforcement learning can help, progress has been limited by two structural bottlenecks: existing open-source agentic training data are narrow in…

Computation and Language · Computer Science 2026-03-13 Yuanjie Lyu , Chengyu Wang , Lei Shen , Jun Huang , Tong Xu

Solving long-horizon, temporally-extended tasks using Reinforcement Learning (RL) is challenging, compounded by the common practice of learning without prior knowledge (or tabula rasa learning). Humans can generate and execute plans with…

Machine Learning · Computer Science 2023-11-10 Bharat Prakash , Tim Oates , Tinoosh Mohsenin

Recent advances in large language models have enabled LLM-based agents to achieve strong performance on a variety of benchmarks. However, their performance in real-world deployments often that observed on benchmark settings, especially in…

Artificial Intelligence · Computer Science 2026-02-19 Ruipeng Wang , Yuxin Chen , Yukai Wang , Chang Wu , Junfeng Fang , Xiaodong Cai , Qi Gu , Hui Su , An Zhang , Xiang Wang , Xunliang Cai , Tat-Seng Chua

The ability to quickly solve a wide range of real-world tasks requires a commonsense understanding of the world. Yet, how to best extract such knowledge from natural language corpora and integrate it with reinforcement learning (RL) agents…

Artificial Intelligence · Computer Science 2020-07-21 Minqi Jiang , Jelena Luketina , Nantas Nardelli , Pasquale Minervini , Philip H. S. Torr , Shimon Whiteson , Tim Rocktäschel

Retrieval-augmented LLM agents increasingly rely on curated skill banks: collections of reusable textual principles that guide decision making on complex tasks. Existing approaches typically expand these banks in an append-only fashion,…

Computation and Language · Computer Science 2026-05-29 Wentao Hu , Zhendong Chu , Yiming Zhang , Junda Wu , Ming Jin , Xiangyu Zhao , Yilei Shao , Yanfeng Wang , Qingsong Wen

We study building multi-task agents in open-world environments. Without human demonstrations, learning to accomplish long-horizon tasks in a large open-world environment with reinforcement learning (RL) is extremely inefficient. To tackle…

Machine Learning · Computer Science 2023-12-05 Haoqi Yuan , Chi Zhang , Hongcheng Wang , Feiyang Xie , Penglin Cai , Hao Dong , Zongqing Lu

LLM agents are evolving rapidly, powered by code execution, tools, and the recently introduced agent skills feature. Skills allow users to extend LLM applications with specialized third-party code, knowledge, and instructions. Although this…

Cryptography and Security · Computer Science 2026-02-26 David Schmotz , Luca Beurer-Kellner , Sahar Abdelnabi , Maksym Andriushchenko

Large language models (LLMs) are increasingly deployed in agentic systems, where a fundamental task is mapping user intents to relevant external tools. Errors in tool selection can have severe outcomes, such as unauthorized data access,…

Cryptography and Security · Computer Science 2026-05-14 Jehyeok Yeon , Isha Chaudhary , Gagandeep Singh

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction…

Artificial Intelligence · Computer Science 2025-10-22 Abhigya Verma , Seganrasan Subramanian , Nandhakumar Kandasamy , Naman Gupta

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

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…

Machine Learning · Computer Science 2026-05-18 Zhengxi Lu , Zhiyuan Yao , Jinyang Wu , Chengcheng Han , Qi Gu , Xunliang Cai , Weiming Lu , Jun Xiao , Yueting Zhuang , Yongliang Shen

Large language model (LLM) agents have exhibited strong problem-solving competence across domains like research and coding. Yet, it remains underexplored whether LLM agents can tackle compounding real-world problems that require a diverse…

Artificial Intelligence · Computer Science 2025-11-04 Hanwen Xu , Xuyao Huang , Yuzhe Liu , Kai Yu , Zhijie Deng

The rapid proliferation of Claude agent skills has raised the central question of how to effectively leverage, manage, and scale the agent skill ecosystem. In this paper, we propose AgentSkillOS, the first principled framework for skill…

Computation and Language · Computer Science 2026-03-03 Hao Li , Chunjiang Mu , Jianhao Chen , Siyue Ren , Zhiyao Cui , Yiqun Zhang , Lei Bai , Shuyue Hu

Prior work synthesizes tool-use LLM datasets by first generating a user query, followed by complex tool-use annotations like depth-first search (DFS). This leads to inevitable annotation failures and low efficiency in data generation. We…

Computation and Language · Computer Science 2026-05-04 Zhongyi Zhou , Kohei Uehara , Haoyu Zhang , Jingtao Zhou , Lin Gu , Ruofei Du , Zheng Xu , Tatsuya Harada