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We envision "AI scientists" as systems capable of skeptical learning and reasoning that empower biomedical research through collaborative agents that integrate AI models and biomedical tools with experimental platforms. Rather than taking…

The rise of Agent AI and Large Language Model-powered Multi-Agent Systems (LLM-MAS) has underscored the need for responsible and dependable system operation. Tools like LangChain and Retrieval-Augmented Generation have expanded LLM…

Multiagent Systems · Computer Science 2025-02-05 Jinwei Hu , Yi Dong , Shuang Ao , Zhuoyun Li , Boxuan Wang , Lokesh Singh , Guangliang Cheng , Sarvapali D. Ramchurn , Xiaowei Huang

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

Problems of cooperation--in which agents seek ways to jointly improve their welfare--are ubiquitous and important. They can be found at scales ranging from our daily routines--such as driving on highways, scheduling meetings, and working…

Artificial Intelligence · Computer Science 2020-12-17 Allan Dafoe , Edward Hughes , Yoram Bachrach , Tantum Collins , Kevin R. McKee , Joel Z. Leibo , Kate Larson , Thore Graepel

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) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…

Artificial Intelligence · Computer Science 2026-03-03 Ao Cheng , Lei Zhang , Guowei He

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

With the increasing prevalence and diversity of robots interacting in the real world, there is need for flexible, on-the-fly planning and cooperation. Large Language Models are starting to be explored in a multimodal setup for…

Robotics · Computer Science 2024-03-01 William Hunt , Toby Godfrey , Mohammad D. Soorati

Advancements in large language models (LLMs) allow them to address diverse questions using human-like interfaces. Still, limitations in their training prevent them from answering accurately in scenarios that could benefit from multiple…

Artificial Intelligence · Computer Science 2025-04-09 Yoshitaka Inoue , Tianci Song , Xinling Wang , Augustin Luna , Tianfan Fu

Research interest in autonomous agents is on the rise as an emerging topic. The notable achievements of Large Language Models (LLMs) have demonstrated the considerable potential to attain human-like intelligence in autonomous agents.…

Multiagent Systems · Computer Science 2025-01-30 Hung Du , Srikanth Thudumu , Rajesh Vasa , Kon Mouzakis

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu

Large Language Models (LLMs) are transforming artificial intelligence, evolving into task-oriented systems capable of autonomous planning and execution. One of the primary applications of LLMs is conversational AI systems, which must…

Computation and Language · Computer Science 2025-01-22 Elad Levi , Ilan Kadar

We introduce MLRC-Bench, a benchmark designed to quantify how effectively language agents can tackle challenging Machine Learning (ML) Research Competitions, with a focus on open research problems that demand novel methodologies. Unlike…

Large Language Model (LLM)-based agents are increasingly employed to automate complex software engineering tasks, such as program repair and issue resolution. These agents operate by autonomously generating natural language thoughts,…

Software Engineering · Computer Science 2025-10-09 Islem Bouzenia , Michael Pradel

Large Language Models (LLMs) have achieved impressive results in knowledge-based Visual Question Answering (VQA). However existing methods still have challenges: the inability to use external tools autonomously, and the inability to work in…

Computation and Language · Computer Science 2025-08-08 Zhongjian Hu , Peng Yang , Bing Li , Zhenqi Wang

Recent progress in multimodal graph neural networks has demonstrated that augmenting atomic XYZ geometries with textual chemical descriptors can enhance predictive accuracy across a range of electronic and thermodynamic properties. However,…

Multiagent Systems · Computer Science 2025-06-27 Can Polat , Mehmet Tuncel , Mustafa Kurban , Erchin Serpedin , Hasan Kurban

Large Language Models (LLMs) are becoming increasingly powerful and capable of handling complex tasks, e.g., building single agents and multi-agent systems. Compared to single agents, multi-agent systems have higher requirements for the…

Computation and Language · Computer Science 2024-08-29 Wei Wang , Dan Zhang , Tao Feng , Boyan Wang , Jie Tang

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

As automated trading gains traction in the financial market, algorithmic investment strategies are increasingly prominent. While Large Language Models (LLMs) and Agent-based models exhibit promising potential in real-time market analysis…

Multiagent Systems · Computer Science 2025-02-20 Xiangyu Li , Yawen Zeng , Xiaofen Xing , Jin Xu , Xiangmin Xu

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

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