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As full AI-based automation remains out of reach in most real-world applications, the focus has instead shifted to leveraging the strengths of both human and AI agents, creating effective collaborative systems. The rapid advances in this…

Human-Computer Interaction · Computer Science 2024-04-19 Steffen Holter , Mennatallah El-Assady

We present a multi-agent system for automation of scientific research tasks, cmbagent (https://github.com/CMBAgents/cmbagent). The system is formed by about 30 Large Language Model (LLM) agents and implements a Planning & Control strategy…

Scientific research increasingly relies on specialized computational tools, yet effectively utilizing these tools demands substantial domain expertise. While Large Language Models (LLMs) show promise in tool automation, they struggle to…

Artificial Intelligence · Computer Science 2025-07-29 Keyan Ding , Jing Yu , Junjie Huang , Yuchen Yang , Qiang Zhang , Huajun Chen

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

Artificial Intelligence (AI) agents capable of autonomous learning and independent decision-making hold great promise for addressing complex challenges across various critical infrastructure domains, including transportation, energy…

Multiagent Systems · Computer Science 2025-07-02 Hepeng Li , Yuhong Liu , Jun Yan , Jie Gao , Xiaoou Yang

Most AI systems today are designed to manage tasks and execute predefined steps. This makes them effective for process coordination but limited in their ability to engage in joint problem-solving with humans or contribute new ideas. We…

Human-Computer Interaction · Computer Science 2026-02-03 Kexin Quan , Dina Albassam , Mengke Wu , Zijian Ding , Jessie Chin

This technical report presents the Drama Engine, a novel framework for agentic interaction with large language models designed for narrative purposes. The framework adapts multi-agent system principles to create dynamic, context-aware…

Artificial Intelligence · Computer Science 2024-08-22 Martin Pichlmair , Riddhi Raj , Charlene Putney

A complex system is made up of many components with many interactions. So the design of systems such as simulation systems, cooperative systems or assistance systems includes a very accurate modelling of interactional and communicational…

Multiagent Systems · Computer Science 2012-01-19 Alain-Jérôme Fougères

Large language models (LLMs), despite their remarkable progress across various general domains, encounter significant barriers in medicine and healthcare. This field faces unique challenges such as domain-specific terminologies and…

Computation and Language · Computer Science 2024-06-06 Xiangru Tang , Anni Zou , Zhuosheng Zhang , Ziming Li , Yilun Zhao , Xingyao Zhang , Arman Cohan , Mark Gerstein

As large language models (LLMs) evolve into sophisticated autonomous agents capable of complex software development tasks, evaluating their real-world capabilities becomes critical. While existing benchmarks like…

CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…

Chemical Physics · Physics 2025-08-28 Xinglong Zhang , Huiwen Tan , Jingyi Liu , Zihan Li , Lewen Wang , Benjamin W. J. Chen

Automated software environment setup is a prerequisite for testing, debugging, and reproducing failures, yet remains challenging in practice due to complex dependencies, heterogeneous build systems, and incomplete documentation. Recent work…

Software Engineering · Computer Science 2026-02-16 Xiang Li , Siyu Lu , Federica Sarro , Claire Le Goues , He Ye

Constructing behavioral-level chiplet models (e.g., SystemC) is crucial for early-stage heterogeneous architecture exploration. Traditional manual modeling is notoriously time-consuming and error-prone. Recently, Large Language Models…

Hardware Architecture · Computer Science 2026-03-24 Yiwei Wu , Yifan Wu , Yunhao Xiong , Dengwei Zhao , Jiaxuan Shen , Jianfei Jiang , Guanghui He , Shikui Tu , Yanan Sun

Large Language Models (LLMs) have facilitated the definition of autonomous intelligent agents. Such agents have already demonstrated their potential in solving complex tasks in different domains. And they can further increase their…

Software Engineering · Computer Science 2025-06-30 Adem Ait , Javier Luis Cánovas Izquierdo , Jordi Cabot

Agentic AI has significantly extended the capabilities of large language models (LLMs) by enabling complex reasoning and tool use. However, most existing frameworks are tailored to domains such as mathematics, coding, or web automation, and…

Artificial Intelligence · Computer Science 2025-10-15 Md Hasebul Hasan , Mahir Labib Dihan , Tanzima Hashem , Mohammed Eunus Ali , Md Rizwan Parvez

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

Contemporary multi-agent systems encounter persistent challenges in cross-platform interoperability, dynamic task scheduling, and efficient resource sharing. Agents with heterogeneous implementations often lack standardized interfaces;…

Artificial Intelligence · Computer Science 2025-07-08 Yuyang Cheng , Yumiao Xu , Chaojia Yu , Yong Zhao

Multi-agent systems (MAS) have emerged as a powerful paradigm for orchestrating large language models (LLMs) and specialized tools to collaboratively address complex tasks. However, existing MAS frameworks often require manual workflow…

Artificial Intelligence · Computer Science 2025-09-24 Yingxu Wang , Siwei Liu , Jinyuan Fang , Zaiqiao Meng

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim
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