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We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

For decades, supercritical flame simulations incorporating detailed chemistry and real-fluid transport have been limited to millions of cells, constraining the resolved spatial and temporal scales of the physical system. We optimize the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-27 Zhuoqiang Guo , Runze Mao , Lijun Liu , Guangming Tan , Weile Jia , Zhi X. Chen

The rapid evolution of agentic AI marks a new phase in artificial intelligence, where Large Language Models (LLMs) no longer merely respond but act, reason, and adapt. This survey traces the paradigm shift in building agentic AI: from…

Artificial Intelligence · Computer Science 2025-10-28 Jitao Sang , Jinlin Xiao , Jiarun Han , Jilin Chen , Xiaoyi Chen , Shuyu Wei , Yongjie Sun , Yuhang Wang

Large Language Models (LLMs), deep learning architectures with typically over 10 billion parameters, have recently begun to be integrated into various cyber-physical systems (CPS) such as robotics, industrial automation, and autopilot…

Robotics · Computer Science 2026-03-24 Weizhe Xu , Mengyu Liu , Fanxin Kong

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

Computation and Language · Computer Science 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

The performance gap between closed-source and open-source large language models (LLMs) is largely attributed to disparities in access to high-quality training data. To bridge this gap, we introduce a novel framework for the automated…

The integration of Large Language Models (LLMs) into autonomous driving systems demonstrates strong common sense and reasoning abilities, effectively addressing the pitfalls of purely data-driven methods. Current LLM-based agents require…

Robotics · Computer Science 2024-10-22 Sihao Wu , Jiaxu Liu , Xiangyu Yin , Guangliang Cheng , Xingyu Zhao , Meng Fang , Xinping Yi , Xiaowei Huang

Image-guided surgery demands adaptive, real-time decision support, yet static AI models struggle with structured task planning and providing interactive guidance. Large language models (LLMs)-powered agents offer a promising solution by…

Computer Vision and Pattern Recognition · Computer Science 2025-11-13 Jiayuan Huang , Runlong He , Danyal Zaman Khan , Evangelos B. Mazomenos , Danail Stoyanov , Hani Marcus , Linzhe Jiang , Matthew J Clarkson , Mobarak I. Hoque

Industries such as finance, meteorology, and energy generate vast amounts of data daily. Efficiently managing, processing, and displaying this data requires specialized expertise and is often tedious and repetitive. Leveraging large…

Computation and Language · Computer Science 2025-05-20 Wenqi Zhang , Yongliang Shen , Zeqi Tan , Guiyang Hou , Weiming Lu , Yueting Zhuang

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

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data…

Artificial Intelligence · Computer Science 2025-10-21 Shaolei Zhang , Ju Fan , Meihao Fan , Guoliang Li , Xiaoyong Du

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

Recent efforts have augmented language models (LMs) with external tools or environments, leading to the development of language agents that can reason and act. However, most of these agents rely on few-shot prompting techniques with…

Computation and Language · Computer Science 2023-10-10 Baian Chen , Chang Shu , Ehsan Shareghi , Nigel Collier , Karthik Narasimhan , Shunyu Yao

As spacecraft journey further from Earth with more complex missions, systems of greater autonomy and onboard intelligence are called for. Reducing reliance on human-based mission control becomes increasingly critical if we are to increase…

Robotics · Computer Science 2024-05-03 David Maranto

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

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