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Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs.…

Machine Learning · Computer Science 2025-06-10 Guibin Zhang , Luyang Niu , Junfeng Fang , Kun Wang , Lei Bai , Xiang Wang

Scientific workflows in computational chemistry and materials science typically involve multiple interdependent steps, such as model preparation, system construction, simulation execution, and data analysis, that researchers have refined…

Large Language Model (LLM)-powered Multi-agent systems (MAS) have achieved state-of-the-art results on various complex reasoning tasks. Recent works have proposed techniques to automate the design of MASes, eliminating the need for manual…

Artificial Intelligence · Computer Science 2026-05-20 Bohan Yao , Shiva Krishna Reddy Malay , Vikas Yadav

The dominant paradigm of monolithic scaling in Vision-Language Models (VLMs) is failing for understanding and reasoning in documents, yielding diminishing returns as it struggles with the inherent need of this domain for document-based…

Computer Vision and Pattern Recognition · Computer Science 2025-11-17 Xinlei Yu , Chengming Xu , Zhangquan Chen , Yudong Zhang , Shilin Lu , Cheng Yang , Jiangning Zhang , Shuicheng Yan , Xiaobin Hu

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use…

Artificial Intelligence · Computer Science 2026-03-05 He Cao , Siyu Liu , Fan Zhang , Zijing Liu , Hao Li , Bin Feng , Shengyuan Bai , Leqing Chen , Kai Xie , Yu Li

In this article, we present a novel multimodal feedback framework called MOSAIC-F, an acronym for a data-driven Framework that integrates Multimodal Learning Analytics (MMLA), Observations, Sensors, Artificial Intelligence (AI), and…

Human-Computer Interaction · Computer Science 2025-06-11 Alvaro Becerra , Daniel Andres , Pablo Villegas , Roberto Daza , Ruth Cobos

As large language models (LLMs) advance their mathematical capabilities toward the IMO level, the scarcity of challenging, high-quality problems for training and evaluation has become a significant bottleneck. Simultaneously, recent code…

Computation and Language · Computer Science 2026-03-05 Dadi Guo , Yuejin Xie , Qingyu Liu , Jiayu Liu , Zhiyuan Fan , Qihan Ren , Shuai Shao , Tianyi Zhou , Dongrui Liu , Yi R. Fung

The integration of large language models (LLMs) with embodied agents has improved high-level reasoning capabilities; however, a critical gap remains between semantic understanding and physical execution. While vision-language-action (VLA)…

Robotics · Computer Science 2026-04-07 Rongfeng Zhao , Xuanhao Zhang , Zhaochen Guo , Xiang Shao , Zhongpan Zhu , Bin He , Jie Chen

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

Chain-of-thought prompting significantly boosts the reasoning ability of large language models but still faces three issues: hallucination problem, restricted interpretability, and uncontrollable generation. To address these challenges, we…

Computation and Language · Computer Science 2024-09-20 Chen Liang , Zhifan Feng , Zihe Liu , Wenbin Jiang , Jinan Xu , Yufeng Chen , Yong Wang

The proliferation of Large Language Models (LLMs) has catalyzed a shift towards autonomous agents capable of complex reasoning and tool use. However, current agent architectures are frequently constructed using imperative, ad hoc patterns.…

Artificial Intelligence · Computer Science 2026-01-23 Yifan Zhang , Yang Yuan , Mengdi Wang , Andrew Chi-Chih Yao

The advancement of artificial intelligence toward agentic science is currently bottlenecked by the challenge of ultra-long-horizon autonomy, the ability to sustain strategic coherence and iterative correction over experimental cycles…

Artificial Intelligence · Computer Science 2026-03-26 Xinyu Zhu , Yuzhu Cai , Zexi Liu , Bingyang Zheng , Cheng Wang , Rui Ye , Yuzhi Zhang , Linfeng Zhang , Weinan E , Siheng Chen , Yanfeng Wang

Ensuring the security of complex system-on-chips (SoCs) designs is a critical imperative, yet traditional verification techniques struggle to keep pace due to significant challenges in automation, scalability, comprehensiveness, and…

Recently, large language models (LLMs) have demonstrated remarkable problem-solving capabilities by autonomously integrating with external tools for collaborative reasoning. However, due to the inherently complex and diverse nature of…

Artificial Intelligence · Computer Science 2025-11-03 Mengjie Deng , Guanting Dong , Zhicheng Dou

Large language models (LLMs) are widely used for tutoring, feedback generation, and content creation, but their broad pretraining makes them hard to constrain and poor substitutes for controllable learners. Educational systems often require…

Computation and Language · Computer Science 2026-05-11 Hyeongdon Moon , Carolyn Rosé , John Stamper

Developing AI agents powered by large language models (LLMs) faces significant challenges in achieving true Turing completeness and adaptive, code-driven evolution. Current approaches often generate code independently of its runtime…

Software Engineering · Computer Science 2024-09-25 Ming Zhu , Yi Zhou

Large Language Models (LLMs) are increasingly utilised in software engineering, yet their ability to generate structured artefacts such as UML diagrams remains underexplored. In this work we present NOMAD, a cognitively inspired, modular…

Software Engineering · Computer Science 2026-05-04 Polydoros Giannouris , Sophia Ananiadou

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

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

Artificial Intelligence · Computer Science 2026-04-16 Qibin Liu , Julia Gonski

Single-agent large language model (LLM) systems struggle to simultaneously support diverse conversational functions and maintain safety in behavioral health communication. We propose a safety-aware, role-orchestrated multi-agent LLM…

Artificial Intelligence · Computer Science 2026-04-02 Ha Na Cho