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Large Language Model (LLM) agents have demonstrated remarkable capabilities in organizing and executing complex tasks, and many such agents are now widely used in various application scenarios. However, developing these agents requires…

Artificial Intelligence · Computer Science 2025-10-01 Chenglin Yu , Yang Yu , Songmiao Wang , Yucheng Wang , Yifan Yang , Jinjia Li , Ming Li , Hongxia Yang

Large Language Model-based multi-agent systems (MAS) have shown remarkable progress in solving complex tasks through collaborative reasoning and inter-agent critique. However, existing approaches typically treat each task in isolation,…

Computation and Language · Computer Science 2025-05-30 Yilong Li , Chen Qian , Yu Xia , Ruijie Shi , Yufan Dang , Zihao Xie , Ziming You , Weize Chen , Cheng Yang , Weichuan Liu , Ye Tian , Xuantang Xiong , Lei Han , Zhiyuan Liu , Maosong Sun

The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based…

Computation and Language · Computer Science 2026-05-29 Achuth Chandrasekhar , Janghoon Ock , Amir Barati Farimani

Although numerous strategies have recently been proposed to enhance the autonomous interaction capabilities of multimodal agents in graphical user interface (GUI), their reliability remains limited when faced with complex or out-of-domain…

Computation and Language · Computer Science 2025-10-06 Pengzhou Cheng , Lingzhong Dong , Zeng Wu , Zongru Wu , Xiangru Tang , Chengwei Qin , Zhuosheng Zhang , Gongshen Liu

Large Language Models (LLMs) based agent systems have made great strides in real-world applications beyond traditional NLP tasks. This paper proposes a new LLM-based Multi-Agent System (LLM-MAS) benchmark, Collab-Overcooked, built on the…

Computation and Language · Computer Science 2025-12-02 Haochen Sun , Shuwen Zhang , Lujie Niu , Lei Ren , Hao Xu , Hao Fu , Fangkun Zhao , Caixia Yuan , Xiaojie Wang

Embodied agents for creative tasks like photography must bridge the semantic gap between high-level language commands and geometric control. We introduce PhotoAgent, an agent that achieves this by integrating Large Multimodal Models (LMMs)…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Lirong Che , Zhenfeng Gan , Yanbo Chen , Junbo Tan , Xueqian Wang

Enhancing the reasoning capabilities of large language models (LLMs) is crucial for enabling them to tackle complex, multi-step problems. Multi-agent frameworks have shown great potential in enhancing LLMs' reasoning capabilities. However,…

Artificial Intelligence · Computer Science 2024-10-29 Danqing Wang , Zhuorui Ye , Fei Fang , Lei Li

AI for science promises to accelerate the discovery process. The advent of large language models (LLMs) and agentic workflows enables the expediting of a growing range of scientific tasks. However, most of the current generation of agentic…

Artificial Intelligence · Computer Science 2026-04-17 Zijian Zhang , Aiwei Yin , Amaan Baweja , Jiaru Bai , Ignacio Gustin , Varinia Bernales , Alán Aspuru-Guzik

Multimodal agentic pipelines are transforming human-computer interaction by enabling efficient and accessible automation of complex, real-world tasks. However, recent efforts have focused on short-horizon or general-purpose applications…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Akash Ghosh , Tajamul Ashraf , Rishu Kumar Singh , Numan Saeed , Sriparna Saha , Xiuying Chen , Salman Khan

The integration of large language models (LLMs) into scientific research is accelerating the realization of autonomous ``AI Scientists.'' While recent advancements have empowered AI to formulate hypotheses and design experiments, a critical…

Quantum Physics · Physics 2026-05-27 Masaki Shiraishi , Ikko Hamamura , Tatsuya Ishigaki , Tadashi Kadowaki

Large language models (LLMs) excel at solving complex tasks by executing agentic workflows composed of detailed instructions and structured operations. Yet, building general-purpose agents by manually embedding foundation models into…

Artificial Intelligence · Computer Science 2025-08-08 Chia-Tung Ho , Jing Gong , Xufeng Yao , Yunsheng Bai , Abhishek B Akkur , Haoxing Ren

We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…

Strongly Correlated Electrons · Physics 2014-10-14 Huy Nguyen , Hao Shi , Jie Xu , Shiwei Zhang

Modern software systems require code that is not only functional but also maintainable and well-structured. Although Large Language Models (LLMs) are increasingly used to automate software development, most studies focus on isolated,…

Software Engineering · Computer Science 2025-11-14 Wasique Islam Shafin , Md Nakhla Rafi , Zhenhao Li , Tse-Hsun Chen

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

The transition from optical identification of 2D quantum materials to practical device fabrication requires dynamic reasoning beyond the detection accuracy. While recent domain-specific Multimodal Large Language Models (MLLMs) successfully…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Sankalp Pandey , Xuan-Bac Nguyen , Hoang-Quan Nguyen , Tim Faltermeier , Nicholas Borys , Hugh Churchill , Khoa Luu

The rapid evolution of sophisticated cyberattacks has strained modern Security Operations Centers (SOC), which traditionally rely on rule-based or signature-driven detection systems. These legacy frameworks often generate high volumes of…

Cryptography and Security · Computer Science 2026-03-03 Chuanming Tang , Ling Qing , Shifeng Chen

With advances in decision-making and reasoning capabilities, multimodal agents show strong potential in computer application scenarios. Past evaluations have mainly assessed GUI interaction skills, while tool invocation abilities, such as…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Hongrui Jia , Jitong Liao , Xi Zhang , Haiyang Xu , Tianbao Xie , Chaoya Jiang , Ming Yan , Si Liu , Wei Ye , Fei Huang

We present a Collaborative Agent-Based Framework for Multi-Image Reasoning. Our approach tackles the challenge of interleaved multimodal reasoning across diverse datasets and task formats by employing a dual-agent system: a language-based…

Computer Vision and Pattern Recognition · Computer Science 2025-08-04 Angelos Vlachos , Giorgos Filandrianos , Maria Lymperaiou , Nikolaos Spanos , Ilias Mitsouras , Vasileios Karampinis , Athanasios Voulodimos
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