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Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

In transportation system demand modeling and simulation, agent-based models and microsimulations are current state-of-the-art approaches. However, existing agent-based models still have some limitations on behavioral realism and resource…

Artificial Intelligence · Computer Science 2025-04-08 Tianming Liu , Jirong Yang , Yafeng Yin

Large Language Models (LLMs) have shown remarkable capabilities in natural language tasks requiring complex reasoning, yet their application in agentic, multi-step reasoning within interactive environments remains a difficult challenge.…

Artificial Intelligence · Computer Science 2024-08-15 Pranav Putta , Edmund Mills , Naman Garg , Sumeet Motwani , Chelsea Finn , Divyansh Garg , Rafael Rafailov

This paper presents a Large Language Model (LLM) based conversational agent system designed to enhance human-machine collaboration in Machine Learning Operations (MLOps). We introduce the Swarm Agent, an extensible architecture that…

Artificial Intelligence · Computer Science 2025-11-11 George Fatouros , Georgios Makridis , George Kousiouris , John Soldatos , Anargyros Tsadimas , Dimosthenis Kyriazis

Large language models (LLMs) have enabled remarkable advances in automated task-solving with multi-agent systems. However, most existing LLM-based multi-agent approaches rely on predefined agents to handle simple tasks, limiting the…

Artificial Intelligence · Computer Science 2024-05-01 Guangyao Chen , Siwei Dong , Yu Shu , Ge Zhang , Jaward Sesay , Börje F. Karlsson , Jie Fu , Yemin Shi

LLM agents can reason and use tools, but they often break down on long-horizon tasks due to unbounded context growth and accumulated errors. Common remedies such as context compression or retrieval-augmented prompting introduce trade-offs…

Artificial Intelligence · Computer Science 2026-01-07 Chenglin Yu , Yuchen Wang , Songmiao Wang , Hongxia Yang , Ming Li

Knowledge tagging for questions is vital in modern intelligent educational applications, including learning progress diagnosis, practice question recommendations, and course content organization. Traditionally, these annotations have been…

Computation and Language · Computer Science 2024-12-20 Hang Li , Tianlong Xu , Ethan Chang , Qingsong Wen

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 Models are increasingly deployed as autonomous agents for complex real-world tasks, yet existing systems often focus on isolated improvements without a unifying design for robustness and adaptability. We propose a generalist…

Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Jiageng Mao , Junjie Ye , Yuxi Qian , Marco Pavone , Yue Wang

Large Language Models (LLMs) possess general world knowledge but often struggle to generate precise predictions in structured, domain-specific contexts such as simulations. These limitations arise from their inability to ground their broad,…

Artificial Intelligence · Computer Science 2026-01-30 Guillaume Levy , Cedric Colas , Pierre-Yves Oudeyer , Thomas Carta , Clement Romac

The advent of Large Language Models (LLMs) has significantly transformed the fields of natural and social sciences. Generative Agent-Based Models (GABMs), which utilize large language models in place of real subjects, are gaining increasing…

Physics and Society · Physics 2024-08-20 Yikang Lu , Alberto Aleta , Chunpeng Du , Lei Shi , Yamir Moreno

Rapidly evolving cyberattacks demand incident response systems that can autonomously learn and adapt to changing threats. Prior work has extensively explored the reinforcement learning approach, which involves learning response strategies…

Cryptography and Security · Computer Science 2026-04-16 Yiran Gao , Kim Hammar , Tao Li

Computational experiments have emerged as a valuable method for studying complex systems, involving the algorithmization of counterfactuals. However, accurately representing real social systems in Agent-based Modeling (ABM) is challenging…

Artificial Intelligence · Computer Science 2024-02-02 Qun Ma , Xiao Xue , Deyu Zhou , Xiangning Yu , Donghua Liu , Xuwen Zhang , Zihan Zhao , Yifan Shen , Peilin Ji , Juanjuan Li , Gang Wang , Wanpeng Ma

Large Language Models (LLMs) have advanced artificial intelligence by enabling human-like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic,…

Artificial Intelligence · Computer Science 2026-04-02 Aditi Singh , Abul Ehtesham , Saket Kumar , Tala Talaei Khoei , Athanasios V. Vasilakos

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

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by…

Artificial Intelligence · Computer Science 2025-09-04 Yuxuan Huang , Yihang Chen , Haozheng Zhang , Kang Li , Huichi Zhou , Meng Fang , Linyi Yang , Xiaoguang Li , Lifeng Shang , Songcen Xu , Jianye Hao , Kun Shao , Jun Wang

Large Language Models (LLMs) have revolutionized software engineering (SE), showcasing remarkable proficiency in various coding tasks. Despite recent advancements that have enabled the creation of autonomous software agents utilizing LLMs…

Software Engineering · Computer Science 2025-09-08 Huy Nhat Phan , Tien N. Nguyen , Phong X. Nguyen , Nghi D. Q. Bui

Large Language Models (LLMs) have achieved significant success in open-domain question answering. However, they continue to face challenges such as hallucinations and knowledge cutoffs. These issues can be mitigated through in-context…

Computation and Language · Computer Science 2025-02-19 Zukang Yang , Zixuan Zhu , Xuan Zhu

GUIs have long been central to human-computer interaction, providing an intuitive and visually-driven way to access and interact with digital systems. The advent of LLMs, particularly multimodal models, has ushered in a new era of GUI…

Artificial Intelligence · Computer Science 2025-05-07 Chaoyun Zhang , Shilin He , Jiaxu Qian , Bowen Li , Liqun Li , Si Qin , Yu Kang , Minghua Ma , Guyue Liu , Qingwei Lin , Saravan Rajmohan , Dongmei Zhang , Qi Zhang