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We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

Large language model (LLM)-based multi-agent systems have demonstrated remarkable promise for tackling complex tasks by breaking them down into subtasks that are iteratively planned, executed, observed, and refined. Despite their…

Multiagent Systems · Computer Science 2025-07-15 Enhao Zhang , Erkang Zhu , Gagan Bansal , Adam Fourney , Hussein Mozannar , Jack Gerrits

Multi-agent systems based on large language models, particularly centralized architectures, have recently shown strong potential for complex and knowledge-intensive tasks. However, central agents often suffer from unstable long-horizon…

Artificial Intelligence · Computer Science 2026-01-12 Ruizhe Zhang , Xinke Jiang , Zhibang Yang , Zhixin Zhang , Jiaran Gao , Yuzhen Xiao , Hongbin Lai , Xu Chu , Junfeng Zhao , Yasha Wang

Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

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

Multi-agent frameworks powered by large language models (LLMs) have demonstrated great success in automated planning and task execution. However, the effective adjustment of agentic workflows during execution has not been well studied. An…

Artificial Intelligence · Computer Science 2025-02-25 Boye Niu , Yiliao Song , Kai Lian , Yifan Shen , Yu Yao , Kun Zhang , Tongliang Liu

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

This survey investigates foundational technologies essential for developing effective Large Language Model (LLM)-based multi-agent systems. Aiming to answer how best to optimize these systems for collaborative, dynamic environments, we…

Multiagent Systems · Computer Science 2025-04-04 R. M. Aratchige , W. M. K. S. Ilmini

While large language model-based multi-agent systems have shown strong potential for complex reasoning, how to effectively organize multiple agents remains an open question. In this paper, we introduce OrgAgent, a company-style hierarchical…

Multiagent Systems · Computer Science 2026-04-02 Yiru Wang , Xinyue Shen , Yaohui Han , Michael Backes , Pin-Yu Chen , Tsung-Yi Ho

Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate,…

Databases · Computer Science 2026-03-06 Arnab Phani , Elias Strauss , Sebastian Schelter

The rapid proliferation of large language model (LLM)-based agentic systems raises critical concerns regarding digital sovereignty, environmental sustainability, regulatory compliance, and ethical alignment. Whilst existing frameworks…

Large Language Models (LLMs) have revolutionized natural language interaction with data. The "holy grail" of data analytics is to build autonomous Data Agents that can self-drive complex data analysis workflows. However, current…

Databases · Computer Science 2026-04-01 Boyan Li , Yiran Peng , Yupeng Xie , Sirong Lu , Yizhang Zhu , Xing Mu , Xinyu Liu , Yuyu Luo

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

The rapid proliferation of LLM agent frameworks has forced developers to choose between vendor lock-in through provider-specific SDKs and complex multi-package ecosystems that obscure control flow and hinder reproducibility. Integrating…

Artificial Intelligence · Computer Science 2026-01-07 Alexander Roman , Jacob Roman

Autonomous multi-agent systems based on large language models (LLMs) have demonstrated remarkable abilities in independently solving complex tasks in a wide breadth of application domains. However, these systems hit critical reasoning,…

Artificial Intelligence · Computer Science 2026-05-15 Evan Rose , Tushin Mallick , Matthew D. Laws , Cristina Nita-Rotaru , Alina Oprea

Recent advancements in large language models (LLMs) have driven a revolutionary paradigm shift in process automation from Robotic Process Automation to Agentic Process Automation by automating the workflow orchestration procedure based on…

Software Engineering · Computer Science 2024-11-11 Shengda Fan , Xin Cong , Yuepeng Fu , Zhong Zhang , Shuyan Zhang , Yuanwei Liu , Yesai Wu , Yankai Lin , Zhiyuan Liu , Maosong Sun

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

Modern information systems require autonomous agents capable of navigating complex workflows, yet current methodologies often struggle with the transition from structured metadata parsing to general environmental perception. While the…

Artificial Intelligence · Computer Science 2026-05-28 Susanna Cifani , Mario Luca Bernardi , Marta Cimitile

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald

This paper introduces a methodology based on agentic workflows for economic research that leverages Large Language Models (LLMs) and multimodal AI to enhance research efficiency and reproducibility. Our approach features autonomous and…

General Economics · Economics 2025-04-15 Herbert Dawid , Philipp Harting , Hankui Wang , Zhongli Wang , Jiachen Yi