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Skills have become the de facto way to enable LLM agents to perform complex real-world tasks with customized instructions, workflows, and tools, but how to learn them automatically and effectively remains unclear. We introduce…

Computation and Language · Computer Science 2026-04-23 Shanshan Zhong , Yi Lu , Jingjie Ning , Yibing Wan , Lihan Feng , Yuyi Ao , Leonardo F. R. Ribeiro , Markus Dreyer , Sean Ammirati , Chenyan Xiong

The Agentic Service Ecosystem consists of heterogeneous autonomous agents (e.g., intelligent machines, humans, and human-machine hybrid systems) that interact through resource exchange and service co-creation. These agents, with distinct…

Multiagent Systems · Computer Science 2025-08-12 Xuwen Zhang , Xiao Xue , Xia Xie , Qun Ma , Xiangning Yu , Deyu Zhou , Yifan Wang , Ming Zhang

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

Agentic large language models often rely on skills, reusable natural language procedures that guide planning, action, and tool use. In practice, skills are typically improved through prompt engineering or by aligning the task LLM itself,…

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

Open-source scientific software is abundant, yet most tools remain difficult to compile, configure, and reuse, sustaining a small-workshop mode of scientific computing. This deployment bottleneck limits reproducibility, large-scale…

Software Engineering · Computer Science 2026-01-08 Yi Wang , Zhenting Huang , Zhaohan Ding , Ruoxue Liao , Yuan Huang , Xinzijian Liu , Jiajun Xie , Siheng Chen , Linfeng Zhang

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating…

We introduce Skills-Coach, a novel automated framework designed to significantly enhance the self-evolution of skills within Large Language Model (LLM)-based agents. Addressing the current fragmentation of the skill ecosystem, Skills-Coach…

Computation and Language · Computer Science 2026-05-01 Yu Tian , Jiawei Chen , Lifan Zheng , Mingxiang Tao , Xinyi Zeng , Zhaoxia Yin , Hang Su , Xian Sun

Large Language Model (LLM)-based agents have demonstrated remarkable capabilities in complex reasoning and multi-turn interactions but struggle to continuously improve and adapt when deployed in new environments. One promising approach is…

Artificial Intelligence · Computer Science 2026-03-11 Jiongxiao Wang , Qiaojing Yan , Yawei Wang , Yijun Tian , Soumya Smruti Mishra , Zhichao Xu , Megha Gandhi , Panpan Xu , Lin Lee Cheong

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Distributed scientific workflows increasingly span heterogeneous compute clusters, edge resources, and geo-distributed data repositories. In these environments, a centralized orchestrator is an architectural bottleneck -- introducing a…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-23 Komal Thareja , Krishnan Raghavan , Anirban Mandal , Ewa Deelman

As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowledge and AI learns knowledge from it, the alignment between…

Artificial Intelligence · Computer Science 2025-10-07 Yanjie Fu , Dongjie Wang , Wangyang Ying , Xinyuan Wang , Xiangliang Zhang , Huan Liu , Jian Pei

Large language model (LLM)-based agents that reason, plan, and act through tools, memory, and structured interaction are emerging as a promising paradigm for automating complex workflows. Recent systems such as OpenClaw and Claude Code…

Information Retrieval · Computer Science 2026-05-27 Yingli Zhou , Wang Shu , Yaodong Su , Wenchuan Du , Yixiang Fang , Xuemin Lin

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

Large language model (LLM) agent systems are increasingly expected to improve after deployment, but existing work often decouples two adaptation targets: skill evolution and multi-agent system (MAS) restructuring. This separation can create…

Multiagent Systems · Computer Science 2026-05-19 Shuai Pan , Yixiang Liu , Jiaye Gao , Te Gao , Weiwen Liu , Jianghao Lin , Zhihui Fu , Jun Wang , Weinan Zhang , Yong Yu

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…

Multiagent Systems · Computer Science 2026-02-18 Renjun Xu , Yang Yan

Reinforcement learning has empowered large language models to act as intelligent agents, yet training them for long-horizon tasks remains challenging due to the scarcity of high-quality trajectories, especially under limited resources.…

Machine Learning · Computer Science 2026-01-29 Jinyang Wu , Shuo Yang , Changpeng Yang , Yuhao Shen , Shuai Zhang , Zhengqi Wen , Jianhua Tao

Process-based simulation models encode decades of scientific understanding across the Earth sciences, yet the communities most exposed to climate risk and resource scarcity are the least able to use them. Here, we introduce knowledge…

Artificial Intelligence · Computer Science 2026-05-19 Ziwei Li , Liujun Zhu , Yuchen Liu , Yichen Zhao , Birk Li , Ruiqi Wu , Junliang Jin , Jianyun Zhang

Self-organizing systems consist of autonomous agents that can perform complex tasks and adapt to dynamic environments without a central controller. Prior research often relies on reinforcement learning to enable agents to gain the skills…

Artificial Intelligence · Computer Science 2024-11-20 David Ge , Hao Ji

Operational rigor determines whether human-agent collaboration succeeds or fails. Scientific data pipelines need the equivalent of DevOps -- SciOps -- yet common approaches fragment provenance across disconnected systems without…

Databases · Computer Science 2026-02-19 Dimitri Yatsenko , Thinh T. Nguyen
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