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Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

Large Language Model (LLM) agents have demonstrated remarkable capabilities in organizing and executing complex tasks, and many such agents are now widely used in various application scenarios. However, developing these agents requires…

Artificial Intelligence · Computer Science 2025-10-01 Chenglin Yu , Yang Yu , Songmiao Wang , Yucheng Wang , Yifan Yang , Jinjia Li , Ming Li , Hongxia Yang

LLM-based multi-agent systems (MAS) have shown promise in tackling complex tasks. However, existing solutions often suffer from limited agent coordination and heavy reliance on predefined Standard Operating Procedures (SOPs), which demand…

Multiagent Systems · Computer Science 2025-05-30 Qian Wang , Tianyu Wang , Zhenheng Tang , Qinbin Li , Nuo Chen , Jingsheng Liang , Bingsheng He

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

Artificial Intelligence · Computer Science 2024-01-11 Haojie Pan , Zepeng Zhai , Hao Yuan , Yaojia Lv , Ruiji Fu , Ming Liu , Zhongyuan Wang , Bing Qin

We introduce MedAgentGym, a scalable and interactive training environment designed to enhance coding-based biomedical reasoning capabilities in large language model (LLM) agents. MedAgentGym comprises 72,413 task instances across 129…

Epidemic response planning is essential yet traditionally reliant on labor-intensive manual methods. This study aimed to design and evaluate EpiPlanAgent, an agent-based system using large language models (LLMs) to automate the generation…

Artificial Intelligence · Computer Science 2025-12-15 Kangkun Mao , Fang Xu , Jinru Ding , Yidong Jiang , Yujun Yao , Yirong Chen , Junming Liu , Xiaoqin Wu , Qian Wu , Xiaoyan Huang , Jie Xu

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Automating the adaptation of software engineering (SE) research artifacts across datasets is essential for scalability and reproducibility, yet it remains largely unstudied. Recent advances in large language model (LLM)-based multi-agent…

Software Engineering · Computer Science 2025-11-27 Jingyi Chen , Xiaoyan Guo , Songqiang Chen , Shing-Chi Cheung , Jiasi Shen

The rapid evolution of wireless networks presents unprecedented challenges in managing complex and dynamic systems. Existing methods are increasingly facing fundamental limitations in addressing these challenges. In this paper, we introduce…

Signal Processing · Electrical Eng. & Systems 2025-05-05 Jingwen Tong , Wei Guo , Jiawei Shao , Qiong Wu , Zijian Li , Zehong Lin , Jun Zhang

Large language models (LLMs) have shown impressive capabilities in code generation. However, because most LLMs are trained on public domain corpora, directly applying them to real-world software development often yields low success rates,…

Artificial Intelligence · Computer Science 2026-03-26 Shuai Wang , Dhasarathy Parthasarathy , Robert Feldt , Yinan Yu

In recent developments within the research community, the integration of Large Language Models (LLMs) in creating fully autonomous agents has garnered significant interest. Despite this, LLM-based agents frequently demonstrate notable…

Computation and Language · Computer Science 2024-02-21 Xueyang Feng , Zhi-Yuan Chen , Yujia Qin , Yankai Lin , Xu Chen , Zhiyuan Liu , Ji-Rong Wen

We introduce SasAgent, a multi-agent AI system powered by large language models (LLMs) that automates small-angle scattering (SAS) data analysis by leveraging tools from the SasView software and enables user interaction via text input.…

Artificial Intelligence · Computer Science 2025-09-09 Lijie Ding , Changwoo Do

Large Language Models (LLMs) and multi-agent systems have shown impressive capabilities in natural language tasks but face challenges in clinical trial applications, primarily due to limited access to external knowledge. Recognizing the…

Computation and Language · Computer Science 2024-07-23 Ling Yue , Sixue Xing , Jintai Chen , Tianfan Fu

People are spending an enormous amount of time on digital devices through graphical user interfaces (GUIs), e.g., computer or smartphone screens. Large language models (LLMs) such as ChatGPT can assist people in tasks like writing emails,…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Wenyi Hong , Weihan Wang , Qingsong Lv , Jiazheng Xu , Wenmeng Yu , Junhui Ji , Yan Wang , Zihan Wang , Yuxuan Zhang , Juanzi Li , Bin Xu , Yuxiao Dong , Ming Ding , Jie Tang

We demonstrate that large language model (LLM) agents can autonomously perform tensor network simulations of quantum many-body systems, achieving approximately 90% success rate across representative benchmark tasks. Tensor network methods…

Quantum Physics · Physics 2026-01-16 Weitang Li , Jiajun Ren , Lixue Cheng , Cunxi Gong

Existing large language model (LLM) agents for automating data science show promise, but they remain constrained by narrow task scopes, limited generalization across tasks and models, and over-reliance on state-of-the-art (SOTA) LLMs. We…

Computation and Language · Computer Science 2025-10-06 Ziming You , Yumiao Zhang , Dexuan Xu , Yiwei Lou , Yandong Yan , Wei Wang , Huaming Zhang , Yu Huang

While Large Language Models (LLMs) have demonstrated potential in healthcare, they often struggle with the complex, non-linear reasoning required for accurate clinical diagnosis. Existing methods typically rely on static, linear mappings…

Computation and Language · Computer Science 2026-05-28 Zhuohan Ge , Haoyang Li , Yubo Wang , Nicole Hu , Chen Jason Zhang , Qing Li

Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

Biomolecules · Quantitative Biology 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

The proliferation of Large Language Models (LLMs) in recent years has realized many applications in various domains. Being trained with a huge of amount of data coming from various sources, LLMs can be deployed to solve different tasks,…

Software Engineering · Computer Science 2025-03-17 Duc S. H. Nguyen , Bach G. Truong , Phuong T. Nguyen , Juri Di Rocco , Davide Di Ruscio

The rapid progress of Large Language Models has advanced agentic systems in decision-making, coordination, and task execution. Yet, existing agentic system generation frameworks lack full autonomy, missing from-scratch agent generation,…

Artificial Intelligence · Computer Science 2025-06-19 Yao Zhang , Chenyang Lin , Shijie Tang , Haokun Chen , Shijie Zhou , Yunpu Ma , Volker Tresp
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