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The increasing adoption of Large Language Models (LLMs) has enabled AI scientists to perform complex end-to-end scientific discovery tasks requiring coordination of specialized roles, including idea generation and experimental execution.…

Computation and Language · Computer Science 2026-03-10 Yougang Lyu , Xi Zhang , Xinhao Yi , Yuyue Zhao , Shuyu Guo , Wenxiang Hu , Jan Piotrowski , Jakub Kaliski , Jacopo Urbani , Zaiqiao Meng , Lun Zhou , Xiaohui Yan

This paper presents EvoMaster, an open-source tool that is able to automatically generate system level test cases using evolutionary algorithms. Currently, EvoMaster targets RESTful web services running on JVM technology, and has been used…

Software Engineering · Computer Science 2019-01-16 Andrea Arcuri

Multi-agent systems (MAS) have emerged as a powerful paradigm for orchestrating large language models (LLMs) and specialized tools to collaboratively address complex tasks. However, existing MAS frameworks often require manual workflow…

Artificial Intelligence · Computer Science 2025-09-24 Yingxu Wang , Siwei Liu , Jinyuan Fang , Zaiqiao Meng

Large language models (LLMs), have shown strong potential in scientific discovery, yet existing methods still face substantial challenges in the design of research workflows and multi-role collaboration mechanisms. To mitigate these issues,…

Artificial Intelligence · Computer Science 2026-05-26 Xiaoyu Xiong , Yuqi Ren , Deyi Xiong

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after…

Artificial Intelligence · Computer Science 2025-09-03 Jinyuan Fang , Yanwen Peng , Xi Zhang , Yingxu Wang , Xinhao Yi , Guibin Zhang , Yi Xu , Bin Wu , Siwei Liu , Zihao Li , Zhaochun Ren , Nikos Aletras , Xi Wang , Han Zhou , Zaiqiao Meng

The rise of powerful large language models (LLMs) has spurred a new trend in building LLM-based autonomous agents for solving complex tasks, especially multi-agent systems. Despite the remarkable progress, we notice that existing works are…

Artificial Intelligence · Computer Science 2025-03-11 Siyu Yuan , Kaitao Song , Jiangjie Chen , Xu Tan , Dongsheng Li , Deqing Yang

While LLM-based agents have shown promise for deep research, most existing approaches rely on fixed workflows that struggle to adapt to real-world, open-ended queries. Recent work therefore explores self-evolution by allowing agents to…

Artificial Intelligence · Computer Science 2026-02-05 Shuo Zhang , Chaofa Yuan , Ryan Guo , Xiaomin Yu , Rui Xu , Zhangquan Chen , Zinuo Li , Zhi Yang , Shuhao Guan , Zhenheng Tang , Sen Hu , Liwen Zhang , Ronghao Chen , Huacan Wang

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

Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang

Large language model (LLM)-based multi-agent systems (MAS) show strong promise for complex reasoning, planning, and tool-augmented tasks, but designing effective MAS architectures remains labor-intensive, brittle, and hard to generalize.…

Machine Learning · Computer Science 2026-05-28 Yuntong Hu , Yuting Zhang , Matthew Trager , Yi Zhang , Shuo Yang , Wei Xia , Stefano Soatto

This paper proposes EvoAgent - an evolvable large language model (LLM) agent framework that integrates structured skill learning with a hierarchical sub-agent delegation mechanism. EvoAgent models skills as multi-file structured capability…

Artificial Intelligence · Computer Science 2026-04-27 Aimin Zhang , Jiajing Guo , Fuwei Jia , Chen Lv , Boyu Wang , Fangzheng Li

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Agent-based modeling and network science have been used extensively to advance our understanding of emergent collective behavior in systems that are composed of a large number of simple interacting individuals or agents. With the increasing…

Multiagent Systems · Computer Science 2019-03-14 Marcos Cardinot , Colm O'Riordan , Josephine Griffith , Matjaž Perc

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This…

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 \textit{agent skills}: reusable…

Artificial Intelligence · Computer Science 2026-03-04 Salaheddin Alzubi , Noah Provenzano , Jaydon Bingham , Weiyuan Chen , Tu Vu

High-fidelity diagram creation requires the complex orchestration of semantic topology, visual styling, and spatial layout, posing a significant challenge for automated systems. Existing methods also suffer from a representation gap:…

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