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The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

Materials Science · Physics 2026-04-08 Fengxu Yang , Jack D. Evans

Large language models (LLMs) demonstrate strong potential as agents for tool invocation due to their advanced comprehension and planning capabilities. Users increasingly rely on LLM-based agents to solve complex missions through iterative…

Artificial Intelligence · Computer Science 2025-04-17 Peijie Yu , Yifan Yang , Jinjian Li , Zelong Zhang , Haorui Wang , Xiao Feng , Feng Zhang

This paper presents a hybrid approach to predict the evolution of technological maturity in R and D projects, using the oil and gas sector as an example. Integrating System Dynamics (SD) and Agent Based Modelling (ABM) allows the proposed…

Multiagent Systems · Computer Science 2025-10-14 R. W. S. Pessoa , M. H. Næss , J. C. Bijos , C. M. Rebello , D. Colombo , L. Schnitman , I. B. R. Nogueira

With the rapid progress of large language models (LLMs), LLM-powered multi-agent systems (MAS) are drawing increasing interest across academia and industry. However, many current MAS frameworks struggle with reliability and scalability,…

Multiagent Systems · Computer Science 2025-11-04 Yang Li , Siqi Ping , Xiyu Chen , Xiaojian Qi , Zigan Wang , Ye Luo , Xiaowei Zhang

The integration of Large Language Models (LLMs) with specialized tools presents new opportunities for intelligent automation systems. However, orchestrating multiple LLM-driven agents to tackle complex tasks remains challenging due to…

Artificial Intelligence · Computer Science 2025-03-27 Pengfei Du

In this article, we propose a centralized Multi-Agent Learning framework for learning a policy that models the simultaneous behavior of multiple agents that need to coordinate to solve a certain task. Centralized approaches often suffer…

Artificial Intelligence · Computer Science 2025-04-08 Ángel Aso-Mollar , Eva Onaindia

The emergence of Large Language Models (LLMs) like ChatGPT has inspired the development of LLM-based agents capable of addressing complex, real-world tasks. However, these agents often struggle during task execution due to methodological…

Computation and Language · Computer Science 2025-01-22 Yaoxiang Wang , Zhiyong Wu , Junfeng Yao , Jinsong Su

Multi-agent collaboration has emerged as a pivotal paradigm for addressing complex, distributed tasks in large language model (LLM)-driven applications. While prior research has focused on high-level architectural frameworks, the granular…

Multiagent Systems · Computer Science 2025-05-20 Haochun Wang , Sendong Zhao , Jingbo Wang , Zewen Qiang , Bing Qin , Ting Liu

Large language model (LLM)-based multi-agent systems have emerged as a powerful paradigm for enabling autonomous agents to solve complex tasks. As these systems scale in complexity, cost becomes an important consideration for practical…

Multiagent Systems · Computer Science 2025-11-27 Liming Yang , Junyu Luo , Xuanzhe Liu , Yiling Lou , Zhenpeng Chen

A significant challenge facing researchers in the area of multi-agent reinforcement learning (MARL) pertains to the identification of a library that can offer fast and compatible development for multi-agent tasks and algorithm combinations,…

Machine Learning · Computer Science 2023-11-07 Siyi Hu , Yifan Zhong , Minquan Gao , Weixun Wang , Hao Dong , Xiaodan Liang , Zhihui Li , Xiaojun Chang , Yaodong Yang

Multi-agent large language models (MA-LLMs) are a rapidly growing research area that leverages multiple interacting language agents to tackle complex tasks, outperforming single-agent large language models. This literature review…

Multiagent Systems · Computer Science 2025-06-03 Arne Tillmann

Recent advancements in Large Language Models (LLMs) have greatly extended the capabilities of Multi-Agent Systems (MAS), demonstrating significant effectiveness across a wide range of complex and open-ended domains. However, despite this…

As particle accelerators grow in complexity, traditional control methods face increasing challenges in achieving optimal performance. This paper envisions a paradigm shift: a decentralized multi-agent framework for accelerator control,…

Accelerator Physics · Physics 2025-09-04 Antonin Sulc , Thorsten Hellert , Raimund Kammering , Hayden Hoschouer , Jason St. John

Metamaterials, renowned for their exceptional mechanical, electromagnetic, and thermal properties, hold transformative potential across diverse applications, yet their design remains constrained by labor-intensive trial-and-error methods…

Multi-agent large language model frameworks are promising for complex multi step reasoning, yet existing systems remain weak for scientific and knowledge intensive domains due to static prompts and agent roles, rigid workflows, and…

Artificial Intelligence · Computer Science 2026-03-04 Yichao Feng , Haoran Luo , Zhenghong Lin , Yiqun Sun , Pengfei Wei , Lawrence B. Hsieh , Anh Tuan Luu

Numerical simulation is one of the mainstream methods in scientific research, typically performed by professional engineers. With the advancement of multi-agent technology, using collaborating agents to replicate human behavior shows…

Multiagent Systems · Computer Science 2026-01-13 Chunwei Yang , Yankai Wang , Jianxiang Tang , Haojie Qu , Ziqiang Zou , YuLiu , Chunrui Deng , Zhifang Qiu , Ming Ding

Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

The proliferation of large language models (LLMs) and their integration into multi-agent systems has paved the way for sophisticated automation in various domains. This paper introduces AutoGenesisAgent, a multi-agent system that…

Multiagent Systems · Computer Science 2024-04-29 Jeremy Harper

Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

Multi-Agent Systems (MAS) with Large Language Model (LLM)-powered agents are gaining attention, yet fewer studies explore their team dynamics. Inspired by human team science, we propose a multi-agent framework to examine core aspects of…

Computation and Language · Computer Science 2025-10-13 Rasika Muralidharan , Haewoon Kwak , Jisun An