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Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Large Language Models (LLMs) based agent systems have made great strides in real-world applications beyond traditional NLP tasks. This paper proposes a new LLM-based Multi-Agent System (LLM-MAS) benchmark, Collab-Overcooked, built on the…

Computation and Language · Computer Science 2025-12-02 Haochen Sun , Shuwen Zhang , Lujie Niu , Lei Ren , Hao Xu , Hao Fu , Fangkun Zhao , Caixia Yuan , Xiaojie Wang

Recent studies have uncovered the potential of Large Language Models (LLMs) in addressing complex sequential decision-making tasks through the provision of high-level instructions. However, LLM-based agents lack specialization in tackling…

Artificial Intelligence · Computer Science 2024-05-28 Zihao Zhou , Bin Hu , Chenyang Zhao , Pu Zhang , Bin Liu

The rapid advancement of Large Language Models (LLMs) has stimulated interest in multi-agent collaboration for addressing complex medical tasks. However, the practical advantages of multi-agent collaboration approaches remain insufficiently…

Artificial Intelligence · Computer Science 2025-10-31 Yinghao Zhu , Ziyi He , Haoran Hu , Xiaochen Zheng , Xichen Zhang , Zixiang Wang , Junyi Gao , Liantao Ma , Lequan Yu

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…

The molecular large language models have garnered widespread attention due to their promising potential on molecular applications. However, current molecular large language models face significant limitations in understanding molecules due…

Biomolecules · Quantitative Biology 2025-10-23 Zaifei Yang , Hong Chang , Ruibing Hou , Shiguang Shan , Xilin Chen

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher

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

Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…

Machine Learning · Computer Science 2024-12-30 Yang Gu , Hengyu You , Jian Cao , Muran Yu , Haoran Fan , Shiyou Qian

People commonly leverage structured content to accelerate knowledge acquisition and research problem solving. Among these, roadmaps guide researchers through hierarchical subtasks to solve complex research problems step by step. Despite…

Computation and Language · Computer Science 2026-05-01 Jiacheng Liu , Zichen Tang , Zhongjun Yang , Xinyi Hu , Xueyuan Lin , Linwei Jia , Ruofei Bai , Rongjin Li , Shiyao Peng , Haocheng Gao , Haihong E

Large Language Models (LLMs) employ three popular training approaches: Masked Language Models (MLM), Causal Language Models (CLM), and Sequence-to-Sequence Models (seq2seq). However, each approach has its strengths and limitations, and…

Machine Learning · Computer Science 2025-02-18 Xuefeng Liu , Songhao Jiang , Bo Li , Rick Stevens

Large Language Models (LLMs) have enabled multi-agent systems to perform autonomous code generation for complex tasks. Despite the recent growth in research and industrial applications in this area, there is little work on synthesizing…

Software Engineering · Computer Science 2026-04-21 Zeeshan Rasheeda , Muhammad Waseema , Kai-Kristian Kemella , Mika Saari , Pekka Abrahamsson

Large Language Models (LLMs) have demonstrated considerable potential in improving coding education by providing support for code writing, explanation, and debugging. However, existing LLM-based approaches generally fail to assess students'…

Multiagent Systems · Computer Science 2025-07-21 Jianing Zhao , Peng Gao , Jiannong Cao , Zhiyuan Wen , Chen Chen , Jianing Yin , Ruosong Yang , Bo Yuan

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

As organizations increasingly seek to leverage machine learning (ML) capabilities, the technical complexity of implementing ML solutions creates significant barriers to adoption and impacts operational efficiency. This research examines how…

Human-Computer Interaction · Computer Science 2025-07-09 Jiapeng Yao , Lantian Zhang , Jiping Huang

Machine learning (ML) models have significantly impacted various domains in our everyday lives. While large language models (LLMs) offer intuitive interfaces and versatility, task-specific ML models remain valuable for their efficiency and…

Human-Computer Interaction · Computer Science 2024-12-04 Wataru Kawabe , Yusuke Sugano

Multi-agent systems driven by large language models (LLMs) have shown promising abilities for solving complex tasks in a collaborative manner. This work considers a fundamental problem in multi-agent collaboration: consensus seeking. When…

Computation and Language · Computer Science 2025-01-22 Huaben Chen , Wenkang Ji , Lufeng Xu , Shiyu Zhao

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…

Multimodal learning, which integrates data from diverse sensory modes, plays a pivotal role in artificial intelligence. However, existing multimodal learning methods often struggle with challenges where some modalities appear more dominant…

Machine Learning · Computer Science 2024-04-02 Xiaohui Zhang , Jaehong Yoon , Mohit Bansal , Huaxiu Yao

In this paper, we present a novel framework for enhancing the capabilities of large language models (LLMs) by leveraging the power of multi-agent systems. Our framework introduces a collaborative environment where multiple intelligent agent…

Artificial Intelligence · Computer Science 2023-06-07 Yashar Talebirad , Amirhossein Nadiri