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We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with…

Artificial Intelligence · Computer Science 2026-02-09 Lijie Ding , Jan-Michael Carrillo , Changwoo Do

Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…

Artificial Intelligence · Computer Science 2026-03-06 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Zhangze Chen , Shimin Di , Shaowu Pan

Personalized programming tutoring, such as exercise recommendation, can enhance learners' efficiency, motivation, and outcomes, which is increasingly important in modern digital education. However, the lack of sufficient and high-quality…

Artificial Intelligence · Computer Science 2025-05-28 Yi Zhan , Qi Liu , Weibo Gao , Zheng Zhang , Tianfu Wang , Shuanghong Shen , Junyu Lu , Zhenya Huang

The integration of Artificial Intelligence (AI) with High-Performance Computing (HPC) is transforming scientific workflows from human-directed pipelines into adaptive systems capable of autonomous decision-making. Large language models…

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

Agentic AI systems and Physical or Embodied AI systems have been two key research verticals at the forefront of Artificial Intelligence and Robotics, with Model Context Protocol (MCP) increasingly becoming a key component and enabler of…

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

We introduce CFDagent, a zero-shot, multi-agent system that enables fully autonomous computational fluid dynamics (CFD) simulations from natural language prompts. CFDagent integrates three specialized LLM-driven agents: (i) the…

Fluid Dynamics · Physics 2025-11-13 Zhaoyue Xu , Long Wang , Chunyu Wang , Yixin Chen , Qingyong Luo , Hua-Dong Yao , Shizhao Wang , Guowei He

Emerging 6G networks rely on complex cross-layer optimization, yet manually translating high-level intents into mathematical formulations remains a bottleneck. While Large Language Models (LLMs) offer promise, monolithic approaches often…

Artificial Intelligence · Computer Science 2026-01-28 Haoyun Li , Ming Xiao , Kezhi Wang , Robert Schober , Dong In Kim , Yong Liang Guan

To address the steep learning curve and reliance on complex manual file editing and command-line operations in the traditional workflow of the mainstream open-source seismic wave simulation software SPECFEM, this paper proposes an…

Artificial Intelligence · Computer Science 2025-12-17 Yukun Ren , Siwei Yu , Kai Chen , Jianwei Ma

While Large Language Models (LLMs) have demonstrated potential in healthcare, they often struggle with the complex, non-linear reasoning required for accurate clinical diagnosis. Existing methods typically rely on static, linear mappings…

Computation and Language · Computer Science 2026-05-28 Zhuohan Ge , Haoyang Li , Yubo Wang , Nicole Hu , Chen Jason Zhang , Qing Li

We investigate the use of tool-using coding agents to automate end-to-end workflows in the open-source CFD package OpenFOAM. Building on general-purpose coding agent interfaces, we introduce a lightweight configuration that guides an agent…

Fluid Dynamics · Physics 2026-02-13 Ke Xiao , Haoze Zhang , Yangchen Xu , Runze Mao , Han Li , Zhi X. Chen

In the field of MLLM-based GUI agents, compared to smartphones, the PC scenario not only features a more complex interactive environment, but also involves more intricate intra- and inter-app workflows. To address these issues, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2025-02-24 Haowei Liu , Xi Zhang , Haiyang Xu , Yuyang Wanyan , Junyang Wang , Ming Yan , Ji Zhang , Chunfeng Yuan , Changsheng Xu , Weiming Hu , Fei Huang

The aerodynamic design of turbomachinery is a complex and tightly coupled multi-stage process involving geometry generation, performance prediction, optimization, and high-fidelity physical validation. Existing intelligent design approaches…

Artificial Intelligence · Computer Science 2026-04-10 Juan Du , Yueteng Wu , Pan Zhao , Yuze Liu , Min Zhang , Xiaobin Xu , Xinglong Zhang

Automating the adaptation of software engineering (SE) research artifacts across datasets is essential for scalability and reproducibility, yet it remains largely unstudied. Recent advances in large language model (LLM)-based multi-agent…

Software Engineering · Computer Science 2025-11-27 Jingyi Chen , Xiaoyan Guo , Songqiang Chen , Shing-Chi Cheung , Jiasi Shen

Iterative industrial design-simulation optimization is bottlenecked by the CAD-CAE semantic gap: translating simulation feedback into valid geometric edits under diverse, coupled constraints. To fill this gap, we propose COSMO-Agent…

Artificial Intelligence · Computer Science 2026-04-08 Liyuan Deng , Shujian Deng , Yongkang Chen , Yongkang Dai , Zhihang Zhong , Linyang Li , Xiao Sun , Yilei Shi , Huaxi Huang

Large language model (LLM)-based agents are increasingly used to perform complex, multi-step workflows in regulated settings such as compliance and due diligence. However, many agentic architectures rely primarily on prompt engineering of a…

Artificial Intelligence · Computer Science 2026-02-03 Ananya Joshi , Michael Rudow

Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent…

Artificial Intelligence · Computer Science 2025-10-02 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Shaowu Pan

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the…

Software Engineering · Computer Science 2025-05-06 Shubham Gandhi , Dhruv Shah , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff

This paper focuses on embodied task planning, where an agent acquires visual observations from the environment and executes atomic actions to accomplish a given task. Although recent Vision-Language Models (VLMs) have achieved impressive…

Robotics · Computer Science 2026-04-10 Peiran Xu , Jiaqi Zheng , Yadong Mu
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