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Integrating Large Language Models (LLMs) into autonomous agents marks a significant shift in the research landscape by offering cognitive abilities that are competitive with human planning and reasoning. This paper explores the…

Software Engineering · Computer Science 2025-07-21 Junda He , Christoph Treude , David Lo

With the rapid development of artificial intelligence, intelligent decision-making techniques have gradually surpassed human levels in various human-machine competitions, especially in complex multi-agent cooperative task scenarios.…

Multiagent Systems · Computer Science 2025-03-18 Weiqiang Jin , Hongyang Du , Biao Zhao , Xingwu Tian , Bohang Shi , Guang Yang

Automating science laboratories enables faster, safer, more accurate, and more reproducible execution of protocols, accelerating the discovery and testing of new materials, drugs, and more. However, setting up and running autonomous labs…

Artificial Intelligence · Computer Science 2026-05-19 Angelos Angelopoulos , James F. Cahoon , Ron Alterovitz

The massive successes of large language models (LLMs) encourage the emerging exploration of LLM-augmented Autonomous Agents (LAAs). An LAA is able to generate actions with its core LLM and interact with environments, which facilitates the…

We show that multi-agent systems guided by vision-language models (VLMs) improve end-to-end autonomous scientific discovery. By treating plots as verifiable checkpoints, a VLM-as-a-judge evaluates figures against dynamically generated…

Computation and Language · Computer Science 2025-11-19 Kahaan Gandhi , Boris Bolliet , Inigo Zubeldia

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

The believable simulation of multi-user behavior is crucial for understanding complex social systems. Recently, large language models (LLMs)-based AI agents have made significant progress, enabling them to achieve human-like intelligence…

Artificial Intelligence · Computer Science 2024-12-16 Yijun Liu , Wu Liu , Xiaoyan Gu , Yong Rui , Xiaodong He , Yongdong Zhang

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

Instrumentation and Detectors · Physics 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

The question-answering system for Life science research, which is characterized by the rapid pace of discovery, evolving insights, and complex interactions among knowledge entities, presents unique challenges in maintaining a comprehensive…

Computation and Language · Computer Science 2024-08-15 Chengrui Wang , Qingqing Long , Meng Xiao , Xunxin Cai , Chengjun Wu , Zhen Meng , Xuezhi Wang , Yuanchun Zhou

In this work, we introduce SMART-LLM, an innovative framework designed for embodied multi-robot task planning. SMART-LLM: Smart Multi-Agent Robot Task Planning using Large Language Models (LLMs), harnesses the power of LLMs to convert…

Robotics · Computer Science 2024-03-26 Shyam Sundar Kannan , Vishnunandan L. N. Venkatesh , Byung-Cheol Min

The rapid advancement of Large Language Models (LLMs) has driven novel applications across diverse domains, with LLM-based agents emerging as a crucial area of exploration. This survey presents a comprehensive analysis of LLM-based agents…

Artificial Intelligence · Computer Science 2025-11-25 Ke Chen , Peiran Wang , Yaoning Yu , Xianyang Zhan , Haohan Wang

Large Language Models (LLMs) are playing an increasingly important role in physics research by assisting with symbolic manipulation, numerical computation, and scientific reasoning. However, ensuring the reliability, transparency, and…

Artificial Intelligence · Computer Science 2025-08-19 Yinggan Xu , Hana Kimlee , Yijia Xiao , Di Luo

We present a multi-agent system for automation of scientific research tasks, cmbagent (https://github.com/CMBAgents/cmbagent). The system is formed by about 30 Large Language Model (LLM) agents and implements a Planning & Control strategy…

In recent years, Large Language Models (LLMs) have demonstrated remarkable capabilities in data analytics when integrated with Multi-Agent Systems (MAS). However, these systems often struggle with complex tasks that involve diverse…

Artificial Intelligence · Computer Science 2024-12-19 Yi Huang , Fangyin Cheng , Fan Zhou , Jiahui Li , Jian Gong , Hongjun Yang , Zhidong Fan , Caigao Jiang , Siqiao Xue , Faqiang Chen

We present M-Reason, a demonstration system for transparent, agent-based reasoning and evidence integration in the biomedical domain, with a focus on cancer research. M-Reason leverages recent advances in large language models (LLMs) and…

Artificial Intelligence · Computer Science 2025-10-08 Oskar Wysocki , Magdalena Wysocka , Mauricio Jacobo , Harriet Unsworth , André Freitas

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

Focused Ultrasound Ablation Surgery (FUAS) has emerged as a promising non-invasive therapeutic modality, valued for its safety and precision. Nevertheless, its clinical implementation entails intricate tasks such as multimodal image…

Multiagent Systems · Computer Science 2026-03-31 Lina Zhao , Zihao Bian , Qingyue Chen , Yafang Li , Zhiyi Luo , Jiaxing Bai , Guangbo Li , Min He , Kezhi Li , Huaiyuan Yao , Zongjiu Zhang

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