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Recent large language models (LLMs) have enabled the development of advanced agentic systems that can integrate various tools and APIs to fulfill user queries through function calling. However, the deployment of these LLMs on the edge has…

Large language model (LLM)-based multi-agent systems (MAS) have demonstrated exceptional capabilities in solving complex tasks, yet their effectiveness depends heavily on the underlying communication topology that coordinates agent…

Machine Learning · Computer Science 2026-03-23 Hongjiang Chen , Xin Zheng , Yixin Liu , Pengfei Jiao , Shiyuan Li , Huan Liu , Zhidong Zhao , Ziqi Xu , Ibrahim Khalil , Shirui Pan

With the rapid advancement of large language models (LLMs), Multi-agent Systems (MAS) have achieved significant progress in various application scenarios. However, substantial challenges remain in designing versatile, robust, and efficient…

Artificial Intelligence · Computer Science 2025-09-12 Weige Cai , Tong Zhu , Jinyi Niu , Ruiqi Hu , Lingyao Li , Tenglong Wang , Xiaowu Dai , Weining Shen , Liwen Zhang

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

With the advancements in hardware, software, and large language model technologies, the interaction between humans and operating systems has evolved from the command-line interface to the rapidly emerging AI agent interactions. Building an…

Precision therapeutics require multimodal adaptive models that generate personalized treatment recommendations. We introduce TxAgent, an AI agent that leverages multi-step reasoning and real-time biomedical knowledge retrieval across a…

Artificial Intelligence · Computer Science 2025-03-17 Shanghua Gao , Richard Zhu , Zhenglun Kong , Ayush Noori , Xiaorui Su , Curtis Ginder , Theodoros Tsiligkaridis , Marinka Zitnik

We introduce SasAgent, a multi-agent AI system powered by large language models (LLMs) that automates small-angle scattering (SAS) data analysis by leveraging tools from the SasView software and enables user interaction via text input.…

Artificial Intelligence · Computer Science 2025-09-09 Lijie Ding , Changwoo Do

Large reasoning models have demonstrated strong problem-solving abilities, yet real-world tasks often require external tools and long-horizon interactions. Existing agent frameworks typically follow predefined workflows, which limit…

Artificial Intelligence · Computer Science 2026-02-06 Xiaoxi Li , Wenxiang Jiao , Jiarui Jin , Guanting Dong , Jiajie Jin , Yinuo Wang , Hao Wang , Yutao Zhu , Ji-Rong Wen , Yuan Lu , Zhicheng Dou

Large Language Models (LLMs) have revolutionized various aspects of engineering and science. Their utility is often bottlenecked by the lack of interaction with the external digital environment. To overcome this limitation and achieve…

Software Engineering · Computer Science 2024-12-24 Ioannis Tzachristas

Explainable Reinforcement Learning (XRL) has emerged as a promising approach in improving the transparency of Reinforcement Learning (RL) agents. However, there remains a gap between complex RL policies and domain experts, due to the…

Artificial Intelligence · Computer Science 2025-09-09 Haechang Kim , Hao Chen , Can Li , Jong Min Lee

Multimodal neuroimaging analysis often involves complex, modality-specific preprocessing workflows that require careful configuration, quality control, and coordination across heterogeneous toolchains. Beyond preprocessing, downstream…

Artificial Intelligence · Computer Science 2026-05-08 Lujia Zhong , Yihao Xia , Jianwei Zhang , Shuo huang , Jiaxin Yue , Mingyang Xia , Yonggang Shi

Text-to-image generation has advanced rapidly, but existing models still struggle with faithfully composing multiple objects and preserving their attributes in complex scenes. We propose coDrawAgents, an interactive multi-agent dialogue…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Chunhan Li , Qifeng Wu , Jia-Hui Pan , Ka-Hei Hui , Jingyu Hu , Yuming Jiang , Bin Sheng , Xihui Liu , Wenjuan Gong , Zhengzhe Liu

Agent-based modeling is indispensable for studying complex systems across many domains. However, existing simulation platforms exhibit two major issues: performance and modularity. Low performance prevents simulations with a large number of…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-17 Lukas Johannes Breitwieser

Large Language Model (LLM) Agents have demonstrated remarkable capabilities in task automation and intelligent decision-making, driving the widespread adoption of agent development frameworks such as LangChain and AutoGen. However, these…

Artificial Intelligence · Computer Science 2025-10-10 Jiabin Tang , Tianyu Fan , Chao Huang

Creating effective dialogue systems for mental health support requires high-quality multi-turn counseling dialogue data, yet collecting real counselor-client conversations presents significant challenges, including privacy concerns, high…

Computation and Language · Computer Science 2026-05-27 Huachuan Qiu , Zhenzhong Lan

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Large language model (LLM)-based agents have demonstrated remarkable capabilities in addressing complex tasks, thereby enabling more advanced information retrieval and supporting deeper, more sophisticated human information-seeking…

Artificial Intelligence · Computer Science 2025-11-11 Yuyang Zhao , Wentao Shi , Fuli Feng , Xiangnan He

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

All-atom molecular dynamics (MD) simulations can predict polymer properties from molecular structure, yet their execution requires specialized expertise in force field selection, system construction, equilibration, and property extraction.…

Computation and Language · Computer Science 2026-04-06 Alexander Zhao , Achuth Chandrasekhar , Amir Barati Farimani

Modern process simulators enable detailed process design, simulation, and optimization; however, constructing and interpreting simulations is time-consuming and requires expert knowledge. This limits early exploration by inexperienced…

Chemical Physics · Physics 2026-05-22 Jingkang Liang , Niklas Groll , Gürkan Sin