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We present a proof-of-principle study demonstrating the use of large language model (LLM) agents to automate a representative high energy physics (HEP) analysis. Using the Higgs boson diphoton cross-section measurement as a case study with…

Data Analysis, Statistics and Probability · Physics 2025-12-10 Eli Gendreau-Distler , Joshua Ho , Dongwon Kim , Luc Tomas Le Pottier , Haichen Wang , Chengxi Yang

The increasing penetration of distributed energy resources into active distribution networks (ADNs) has made effective ADN dispatch imperative. However, the numerous newly-integrated ADN operators, such as distribution system aggregators,…

Artificial Intelligence · Computer Science 2025-07-30 Xu Yang , Chenhui Lin , Yue Yang , Qi Wang , Haotian Liu , Haizhou Hua , Wenchuan Wu

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available…

Materials Science · Physics 2024-04-23 Wonseok Lee , Yeonghun Kang , Taeun Bae , Jihan Kim

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

Understanding long-context visual information remains a fundamental challenge for vision-language models, particularly in agentic tasks such as GUI control and web navigation. While web pages and GUI environments are inherently structured…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Gyubeum Lim , Yemo Koo , Vijay Krishna Madisetti

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

Powered by the emerging large language models (LLMs), autonomous geographic information systems (GIS) agents have the potential to accomplish spatial analyses and cartographic tasks. However, a research gap exists to support fully…

Information Retrieval · Computer Science 2024-08-09 Huan Ning , Zhenlong Li , Temitope Akinboyewa , M. Naser Lessani

Existing approaches to automatic data transformation are insufficient to meet the requirements in many real-world scenarios, such as the building sector. First, there is no convenient interface for domain experts to provide domain knowledge…

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…

The preservation of cultural heritage is increasingly transitioning towards data-driven predictive maintenance and "Digital Twin" construction. However, the mechanical constitutive models required for high-fidelity simulations remain…

Databases · Computer Science 2026-02-19 Rui Hu , Yue Wu , Tianhao Su , Yin Wang , Shunbo Hu , Jizhong Huang

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

Computation and Language · Computer Science 2025-10-08 Ziheng Geng , Jiachen Liu , Ran Cao , Lu Cheng , Haifeng Wang , Minghui Cheng

Computer simulations offer a robust toolset for exploring complex systems across various disciplines. A particularly impactful approach within this realm is Agent-Based Modeling (ABM), which harnesses the interactions of individual agents…

Artificial Intelligence · Computer Science 2023-12-19 Zengqing Wu , Run Peng , Xu Han , Shuyuan Zheng , Yixin Zhang , Chuan Xiao

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…

Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these…

Artificial Intelligence · Computer Science 2025-07-22 Ziqi Wang , Hongshuo Huang , Hancheng Zhao , Changwen Xu , Shang Zhu , Jan Janssen , Venkatasubramanian Viswanathan

Protein engineering is important for biomedical applications, but conventional approaches are often inefficient and resource-intensive. While deep learning (DL) models have shown promise, their training or implementation into protein…

Quantitative Methods · Quantitative Biology 2024-11-08 Yungeng Liu , Zan Chen , Yu Guang Wang , Yiqing Shen

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

The performance of machine learning models on tabular data is critically dependent on high-quality feature engineering. While Large Language Models (LLMs) have shown promise in automating feature extraction (AutoFE), existing methods are…

Artificial Intelligence · Computer Science 2025-11-20 Henrik Bradland , Morten Goodwin , Vladimir I. Zadorozhny , Per-Arne Andersen

The field of Artificial Intelligence is undergoing a transition from Generative AI -- probabilistic generation of text and images -- to Agentic AI, in which autonomous systems execute actions within external environments on behalf of users.…

Artificial Intelligence · Computer Science 2026-03-02 Sheng Cao , Zhao Chang , Chang Li , Hannan Li , Liyao Fu , Ji Tang