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Large language model (LLM)-based multi-agent systems (MASs) are a recent but rapidly evolving technology with the potential to transform chemical engineering by decomposing complex workflows into teams of collaborative agents with…

Multiagent Systems · Computer Science 2025-08-12 Sophia Rupprecht , Qinghe Gao , Tanuj Karia , Artur M. Schweidtmann

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Large Language Model (LLM)-based Multi-Agent Systems (MAS) enhance complex problem solving through multi-agent collaboration, but often incur substantially higher costs than single-agent systems. Recent MAS routing methods aim to balance…

Multiagent Systems · Computer Science 2026-01-15 Di Zhao , Longhui Ma , Siwei Wang , Miao Wang , Yi Kong

Multi-Agent Systems (MAS) built using AI agents fulfill a variety of user intents that may be used to design and build a family of related applications. However, the creation of such MAS currently involves manual composition of the plan,…

Artificial Intelligence · Computer Science 2026-05-06 Kishan Athrey , Ramin Pishehvar , Brian Riordan , Mahesh Viswanathan

LLM-based multi-agent systems (MAS) have shown significant potential in tackling diverse tasks. However, to design effective MAS, existing approaches heavily rely on manual configurations or multiple calls of advanced LLMs, resulting in…

Computation and Language · Computer Science 2025-03-06 Rui Ye , Shuo Tang , Rui Ge , Yaxin Du , Zhenfei Yin , Siheng Chen , Jing Shao

We consider a general problem where an agent is in a multi-agent environment and must plan for herself without any prior information about her opponents. At each moment, this pivotal agent is faced with a trade-off between exploiting her…

Multiagent Systems · Computer Science 2025-02-14 Fengming Zhu , Fangzhen Lin

Large language model (LLM)-based multi-agent systems (MAS) show strong promise for complex reasoning, planning, and tool-augmented tasks, but designing effective MAS architectures remains labor-intensive, brittle, and hard to generalize.…

Machine Learning · Computer Science 2026-05-28 Yuntong Hu , Yuting Zhang , Matthew Trager , Yi Zhang , Shuo Yang , Wei Xia , Stefano Soatto

The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based…

Computation and Language · Computer Science 2026-05-29 Achuth Chandrasekhar , Janghoon Ock , Amir Barati Farimani

Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang

Recent breakthroughs in machine learning and artificial intelligence, fueled by scientific data, are revolutionizing the discovery of new materials. Despite the wealth of existing scientific literature, the availability of both structured…

Chemical Physics · Physics 2024-10-08 Mehrad Ansari , Jeffrey Watchorn , Carla E. Brown , Joseph S. Brown

Today's scientific challenges, from climate modeling to Inertial Confinement Fusion design to novel material design, require exploring huge design spaces. In order to enable high-impact scientific discovery, we need to scale up our ability…

Multi-agent systems (MAS) powered by large language models suffer from severe token inefficiency arising from two compounding sources: (i) unstructured parallel execution, where all agents activate simultaneously irrespective of input…

Artificial Intelligence · Computer Science 2026-04-21 Mohit Dubey

The past two years have witnessed the meteoric rise of Large Language Model (LLM)-powered multi-agent systems (MAS), which harness collective intelligence and exhibit a remarkable trajectory toward self-evolution. This paradigm has rapidly…

Multiagent Systems · Computer Science 2025-09-30 Kun Wang , Guibin Zhang , ManKit Ye , Xinyu Deng , Dongxia Wang , Xiaobin Hu , Jinyang Guo , Yang Liu , Yufei Guo

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast…

Artificial Intelligence · Computer Science 2024-09-10 Alireza Ghafarollahi , Markus J. Buehler

We introduce a new Multi-Agent System (MAS) - Allen, designed to address two core challenges in current MAS design: (1) improve system's policy autonomy, empowering agents to dynamically adapt their behavioral strategies, and (2) achieving…

Multiagent Systems · Computer Science 2025-08-18 Qiangong Zhou , Zhiting Wang , Mingyou Yao , Zongyang Liu

Multi-label image classification demands adaptive training strategies to navigate complex, evolving visual-semantic landscapes, yet conventional methods rely on static configurations that falter in dynamic settings. We propose MAT-Agent, a…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Jusheng Zhang , Kaitong Cai , Yijia Fan , Ningyuan Liu , Keze Wang

While multi-agent systems (MAS) promise elevated intelligence through coordination of agents, current approaches to automatic MAS design under-deliver. Such shortcomings stem from two key factors: (1) methodological complexity - agent…

Artificial Intelligence · Computer Science 2026-05-25 Zixuan Ke , Yifei Ming , Austin Xu , Ryan Chin , Xuan-Phi Nguyen , Prathyusha Jwalapuram , Jiayu Wang , Semih Yavuz , Caiming Xiong , Shafiq Joty

Large Language Model (LLM)-based multi-agent systems (MAS) have emerged as a promising paradigm for solving complex tasks. However, existing works often rely on manual designs or "one-size-fits-all" automation, lacking dynamic adaptability…

Multiagent Systems · Computer Science 2026-02-17 Guangyi Liu , Haojun Lin , Huan Zeng , Heng Wang , Quanming Yao

Multi-agent navigation in dynamic environments is of great industrial value when deploying a large scale fleet of robot to real-world applications. This paper proposes a decentralized partially observable multi-agent path planning with…

Robotics · Computer Science 2020-08-03 Zuxin Liu , Baiming Chen , Hongyi Zhou , Guru Koushik , Martial Hebert , Ding Zhao

In question-answering (QA) systems, Retrieval-Augmented Generation (RAG) has become pivotal in enhancing response accuracy and reducing hallucination issues. The architecture of RAG systems varies significantly, encompassing single-round…

Computation and Language · Computer Science 2025-08-05 Yiqun Chen , Erhan Zhang , Lingyong Yan , Shuaiqiang Wang , Jizhou Huang , Dawei Yin , Jiaxin Mao