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Large language models (LLMs) have recently demonstrated remarkable capabilities to comprehend human intentions, engage in reasoning, and design planning-like behavior. To further unleash the power of LLMs to accomplish complex tasks, there…

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language…

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

Large Language Model (LLM)-based agent systems are increasingly used for scientific tasks, yet their practical capability remains constrained by the narrow scope of manually curated tools they can invoke. Much scientific computational…

Software Engineering · Computer Science 2026-05-11 Shimin Di , Xujie Yuan , Hanghui Guo , Chaoqian Ouyang , Yongxu Liu , Ling Yue , Zhangze Chen , Libin Zheng , Jia Zhu , Shaowu Pan , Jian Yin , Yong Rui , Min-Ling Zhang

The pursuit of human-level artificial intelligence (AI) has significantly advanced the development of autonomous agents and Large Language Models (LLMs). LLMs are now widely utilized as decision-making agents for their ability to interpret…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, enabling them to solve practical tasks. Previous methods manually parse tool documentation and create in-context…

Computation and Language · Computer Science 2025-03-05 Zhengliang Shi , Shen Gao , Lingyong Yan , Yue Feng , Xiuyi Chen , Zhumin Chen , Dawei Yin , Suzan Verberne , Zhaochun Ren

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

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

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

Computation and Language · Computer Science 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

Numerous software analysis tools exist today, yet applying them to diverse open-source projects remains challenging due to environment setup, dependency resolution, and tool configuration. LLM-based agents offer a potential solution, yet no…

Software Engineering · Computer Science 2026-04-20 Islem Bouzenia , Cristian Cadar , Michael Pradel

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

Large Language Model (LLM) agents significantly extend the capabilities of standalone LLMs, empowering them to interact with external tools (e.g., APIs, functions) and complete various tasks in a self-directed fashion. The challenge of tool…

Artificial Intelligence · Computer Science 2024-02-19 Weizhou Shen , Chenliang Li , Hongzhan Chen , Ming Yan , Xiaojun Quan , Hehong Chen , Ji Zhang , Fei Huang

With recent advancements in natural language processing, Large Language Models (LLMs) have emerged as powerful tools for various real-world applications. Despite their prowess, the intrinsic generative abilities of LLMs may prove…

Artificial Intelligence · Computer Science 2025-12-30 Jingqing Ruan , Yihong Chen , Bin Zhang , Zhiwei Xu , Tianpeng Bao , Guoqing Du , Shiwei Shi , Hangyu Mao , Ziyue Li , Xingyu Zeng , Rui Zhao

With the rise of large language models (LLMs), researchers are increasingly exploring their applications in var ious vertical domains, such as software engineering. LLMs have achieved remarkable success in areas including code generation…

Software Engineering · Computer Science 2025-04-15 Haolin Jin , Linghan Huang , Haipeng Cai , Jun Yan , Bo Li , Huaming Chen

Large Language Models (LLMs) excel in traditional natural language processing tasks but struggle with problems that require complex domain-specific calculations or simulations. While equipping LLMs with external tools to build LLM-based…

Software Engineering · Computer Science 2025-06-11 Bohan Lyu , Xin Cong , Heyang Yu , Pan Yang , Yujia Qin , Yining Ye , Yaxi Lu , Zhong Zhang , Yukun Yan , Yankai Lin , Zhiyuan Liu , Maosong Sun

Large Language Models (LLMs) have shown impressive abilities in natural language understanding and generation, leading to their widespread use in applications such as chatbots and virtual assistants. However, existing LLM frameworks face…

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

Large language models (LLMs) have enabled remarkable advances in automated task-solving with multi-agent systems. However, most existing LLM-based multi-agent approaches rely on predefined agents to handle simple tasks, limiting the…

Artificial Intelligence · Computer Science 2024-05-01 Guangyao Chen , Siwei Dong , Yu Shu , Ge Zhang , Jaward Sesay , Börje F. Karlsson , Jie Fu , Yemin Shi
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