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Large language model (LLM)-based multi-agent systems have shown strong potential on complex tasks through agent specialization, tool use, and collaborative reasoning. However, most automated multi-agent system design methods still follow a…

Artificial Intelligence · Computer Science 2026-05-12 Chengdong Xu , Kaiqiang Ke , Ziheng Liu , Jiaqi Wei , Zibo Shao , Weile Guo , Chao Yu

Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning…

Machine Learning · Computer Science 2026-05-15 Wenwen Li , Yuki Orimo , Nontawat Charoenphakdee

Large Language Model (LLM)-based multi-agent systems (MAS) are becoming indispensable building blocks for web-scale applications such as web search, social network analytics, and online customer support, where cost-effectiveness is…

Artificial Intelligence · Computer Science 2025-12-15 Shuowei Cai , Yansong Ning , Hao Liu

Artificial Intelligence-Generated Content (AIGC)-content autonomously produced by AI systems without human intervention-has significantly boosted efficiency across various fields. However, AIGC in material science faces challenges in…

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Multi-Agent Systems (MAS) offer a powerful paradigm for solving complex problems, yet their performance is critically dependent on the design of their underlying collaboration topology. As MAS become increasingly deployed in web services…

Multiagent Systems · Computer Science 2026-01-21 Shiyuan Li , Yixin Liu , Yu Zheng , Mei Li , Quoc Viet Hung Nguyen , Shirui Pan

Hierarchical multi-agent systems (HMAS) organize collections of agents into layered structures that help manage complexity and scale. These hierarchies can simplify coordination, but they also can introduce trade-offs that are not always…

Multiagent Systems · Computer Science 2025-08-19 David J. Moore

Large language model (LLM)-based multi-agent systems have shown strong potential for complex reasoning by coordinating specialized agents through structured communication. However, existing topology-evolution methods typically construct or…

Computation and Language · Computer Science 2026-05-19 Taolin Zhang , Zijie Zhou , Jiuheng Wan , Tingyuan Hu , Chengyu Wang , Xiaofeng He , Richang Hong

Topological phases of matter$\unicode{x2013}$comprising both insulators and semimetals$\unicode{x2013}$offer great potential for quantum applications, but identifying new candidates remains challenging due to expensive first-principles…

Materials Science · Physics 2026-04-08 Xinyu Xu , Arif Ullah , Ming Yang

Advancements of both computational and experimental tools have recently led to significant progress in the development of new advanced and functional materials, paralleled by a quick growth of the overall amount of data and information on…

Materials Science · Physics 2024-12-25 Fabio Le Piane , Matteo Baldoni , Mauro Gaspari , Francesco Mercuri

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

Real-world multimodal applications often require any-to-any capabilities, enabling both understanding and generation across modalities including text, image, audio, and video. However, integrating the strengths of autoregressive language…

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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

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

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Language-driven grasp detection has the potential to revolutionize human-robot interaction by allowing robots to understand and execute grasping tasks based on natural language commands. However, existing approaches face two key challenges.…

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Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

The engineering design process often demands expertise from multiple domains, leading to complex collaborations and iterative refinements. Traditional methods can be resource-intensive and prone to inefficiencies. To address this, we…

Artificial Intelligence · Computer Science 2026-01-01 Varun Kumar , George Em Karniadakis

In the era of (multi-modal) large language models, most operational processes can be reformulated and reproduced using LLM agents. The LLM agents can perceive, control, and get feedback from the environment so as to accomplish the given…

Artificial Intelligence · Computer Science 2024-12-31 Yingxuan Yang , Qiuying Peng , Jun Wang , Ying Wen , Weinan Zhang

Analog and mixed-signal circuit design remains challenging due to the shortage of high-quality data and the difficulty of embedding domain knowledge into automated flows. Traditional black-box optimization achieves sampling efficiency but…

Machine Learning · Computer Science 2025-09-18 Ziming Wei , Zichen Kong , Yuan Wang , David Z. Pan , Xiyuan Tang

The combination of LLM agents with external tools enables models to solve complex tasks beyond their knowledge base. Human-designed tools are inflexible and restricted to solutions within the scope of pre-existing tools created by experts.…

Artificial Intelligence · Computer Science 2025-11-18 Mohd Ariful Haque , Justin Williams , Sunzida Siddique , Md. Hujaifa Islam , Hasmot Ali , Kishor Datta Gupta , Roy George

Large Language Models (LLMs) are increasingly instantiated as interacting agents in multi-agent systems (MAS), where collective decisions emerge through social interaction rather than independent reasoning. A fundamental yet underexplored…

Multiagent Systems · Computer Science 2026-01-12 Chen Han , Jin Tan , Bohan Yu , Wenzhen Zheng , Xijin Tang