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Automatic Multi-Agent Systems (MAS) generation has emerged as a promising paradigm for solving complex reasoning tasks. However, existing frameworks are fundamentally bottlenecked when applied to knowledge-intensive domains (e.g.,…

Artificial Intelligence · Computer Science 2026-03-24 Hehai Lin , Yu Yan , Zixuan Wang , Bo Xu , Sudong Wang , Weiquan Huang , Ruochen Zhao , Minzhi Li , Chengwei Qin

Multi-agent systems (MAS) built on large language models (LLMs) offer a promising path toward solving complex, real-world tasks that single-agent systems often struggle to manage. While recent advancements in test-time scaling (TTS) have…

Artificial Intelligence · Computer Science 2025-08-20 Can Jin , Hongwu Peng , Qixin Zhang , Yujin Tang , Dimitris N. Metaxas , Tong Che

Large language model(LLM)-driven multi-agent systems(MAS) coordinate specialized agents through predefined interaction topologies and have shown promise for complex tasks such as competition-level code generation. Recent studies demonstrate…

Multiagent Systems · Computer Science 2026-02-20 Siyu Wang , Ruotian Lu , Zhihao Yang , Yuchao Wang , Yanzhou Zhang , Lei Xu , Qimin Xu , Guojun Yin , Cailian Chen , Xinping Guan

We introduce InternAgent-1.5, a unified system designed for end-to-end scientific discovery across computational and empirical domains. The system is built on a structured architecture composed of three coordinated subsystems for…

Multi-agent systems (MAS) powered by Large Language Models (LLMs) have been demonstrated to push the boundaries of LLM capabilities, yet they often incur significant costs and face challenges in dynamic LLM selection. Current LLM routing…

Machine Learning · Computer Science 2025-02-18 Yanwei Yue , Guibin Zhang , Boyang Liu , Guancheng Wan , Kun Wang , Dawei Cheng , Yiyan Qi

We propose a hierarchical design framework to automatically synthesize coordination schemes and control policies for cooperative multi-agent systems to fulfill formal performance requirements, by associating a bottom-up reactive motion…

Robotics · Computer Science 2016-12-16 Rafael Rodrigues da Silva , Bo Wu , Jin Dai , Hai Lin

Multi-agent systems (MAS) leveraging the impressive capabilities of Large Language Models (LLMs) hold significant potential for tackling complex tasks. However, most current MAS depend on manually designed agent roles and communication…

Computation and Language · Computer Science 2026-03-10 Zixuan Ke , Austin Xu , Yifei Ming , Xuan-Phi Nguyen , Ryan Chin , Caiming Xiong , Shafiq Joty

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Complex chemical space and limited knowledge scope with biases holds immense challenge for human scientists, yet in automated materials discovery. Existing intelligent methods relies more on numerical computation, leading to inefficient…

Machine Learning · Computer Science 2025-04-15 Zheyuan Lai , Yingming Pu

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical…

Multimodal large language models (MLLMs) have shown remarkable capabilities in cross-modal understanding and reasoning, offering new opportunities for intelligent assistive systems, yet existing systems still struggle with risk-aware…

Robotics · Computer Science 2026-04-08 Renjun Gao

Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational sub-tasks. While valuable, these evaluations neglect the inherently iterative and adaptive nature of scientific…

Machine Learning · Computer Science 2026-01-30 Shreshth A Malik , Tiarnan Doherty , Panagiotis Tigas , Muhammed Razzak , Stephen J. Roberts , Aron Walsh , Yarin Gal

The rapid progress of Large Language Models has advanced agentic systems in decision-making, coordination, and task execution. Yet, existing agentic system generation frameworks lack full autonomy, missing from-scratch agent generation,…

Artificial Intelligence · Computer Science 2025-06-19 Yao Zhang , Chenyang Lin , Shijie Tang , Haokun Chen , Shijie Zhou , Yunpu Ma , Volker Tresp

Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

While multi-agent systems (MAS) have demonstrated superior performance over single-agent approaches in complex reasoning tasks, they often suffer from significant computational inefficiencies. Existing frameworks typically deploy large…

Artificial Intelligence · Computer Science 2026-01-27 Jingbo Wang , Sendong Zhao , Jiatong Liu , Haochun Wang , Wanting Li , Bing Qin , Ting Liu

In flexible assembly systems, existing task planning methods require a time-consuming configuration process by multiple experts to establish a production line for a new product. To address this challenge, we propose a multi-agent based task…

Robotics · Computer Science 2026-05-12 Chenhao Zhang , Chaoran Zhang , Zhaobo Xu , Yongbo Yang , Pingfa Feng , Long Zeng

Safety and scalability are two critical challenges faced by practical Multi-Agent Systems (MAS). However, existing Multi-Agent Reinforcement Learning (MARL) algorithms that rely solely on reward shaping are ineffective in ensuring safety,…

Multiagent Systems · Computer Science 2025-04-02 Haikuo Du , Fandi Gou , Yunze Cai

Early-stage engineering design involves complex, iterative reasoning, yet existing large language model (LLM) workflows struggle to maintain task continuity and generate executable models. We evaluate whether a structured multi-agent system…

Artificial Intelligence · Computer Science 2025-11-04 Soheyl Massoudi , Mark Fuge

Large language models (LLMs) have large potential for molecular optimization, as they can gather external chemistry tools and enable collaborative interactions to iteratively refine molecular candidates. However, this potential remains…

Artificial Intelligence · Computer Science 2025-05-28 Hyomin Kim , Yunhui Jang , Sungsoo Ahn