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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

Tool learning empowers large language models (LLMs) as agents to use external tools and extend their utility. Existing methods employ one single LLM-based agent to iteratively select and execute tools, thereafter incorporating execution…

Computation and Language · Computer Science 2024-06-25 Zhengliang Shi , Shen Gao , Xiuyi Chen , Yue Feng , Lingyong Yan , Haibo Shi , Dawei Yin , Pengjie Ren , Suzan Verberne , Zhaochun Ren

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

The rapid evolution of AI-generated images poses growing challenges to information integrity and media authenticity. Existing detection approaches face limitations in robustness, interpretability, and generalization across diverse…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Mengfei Liang , Yiting Qu , Yukun Jiang , Michael Backes , Yang Zhang

The increasing complexity of regulatory updates from global authorities presents significant challenges for medical device manufacturers, necessitating agile strategies to sustain compliance and maintain market access. Concurrently,…

Artificial Intelligence · Computer Science 2024-12-24 Yu Han , Zekun Guo

Machine learning (ML) and artificial intelligence (AI) algorithms are now being used to automate the discovery of physics principles and governing equations from measurement data alone. However, positing a universal physical law from data…

Machine Learning · Computer Science 2021-02-23 Brian M. de Silva , David M. Higdon , Steven L. Brunton , J. Nathan Kutz

Accurate visual understanding is imperative for advancing autonomous systems and intelligent robots. Despite the powerful capabilities of vision-language models (VLMs) in processing complex visual scenes, precisely recognizing obscured or…

Computer Vision and Pattern Recognition · Computer Science 2024-06-03 Huaxiang Zhang , Yaojia Mu , Guo-Niu Zhu , Zhongxue Gan

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support…

Recent advances in multimodal question answering have primarily focused on combining heterogeneous modalities or fine-tuning multimodal large language models. While these approaches have shown strong performance, they often rely on a…

Computation and Language · Computer Science 2026-04-22 Krishna Singh Rajput , Tejas Anvekar , Chitta Baral , Vivek Gupta

Large language model (LLM)-driven agents are emerging as a powerful new paradigm for solving complex problems. Despite the empirical success of these practices, a theoretical framework to understand and unify their macroscopic dynamics…

Machine Learning · Computer Science 2025-12-12 Zhuo-Yang Song , Qing-Hong Cao , Ming-xing Luo , Hua Xing Zhu

Chemical process optimization maximizes production efficiency and economic performance, but optimization algorithms, including gradient-based solvers, numerical methods, and parameter grid searches, become impractical when operating…

Machine Learning · Computer Science 2025-10-17 Tong Zeng , Srivathsan Badrinarayanan , Janghoon Ock , Cheng-Kai Lai , Amir Barati Farimani

Recent breakthroughs in machine learning and artificial intelligence, fueled by scientific data, are revolutionizing the discovery of new materials. Despite the wealth of existing scientific literature, the availability of both structured…

Chemical Physics · Physics 2024-10-08 Mehrad Ansari , Jeffrey Watchorn , Carla E. Brown , Joseph S. Brown

This paper pioneers a novel approach to economic and public policy analysis by leveraging multiple Large Language Models (LLMs) as heterogeneous artificial economic agents. We first evaluate five LLMs' economic decision-making capabilities…

Artificial Intelligence · Computer Science 2025-02-25 Yuzhi Hao , Danyang Xie

This paper presents a novel design of a multi-agent system framework that applies large language models (LLMs) to automate the parametrization of simulation models in digital twins. This framework features specialized LLM agents tasked with…

Artificial Intelligence · Computer Science 2024-07-23 Yuchen Xia , Daniel Dittler , Nasser Jazdi , Haonan Chen , Michael Weyrich

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including…

Machine Learning · Computer Science 2025-10-07 Tianren Zhang , Dai-Bei Yang

This study proposes an intelligent multi-agent framework built on LLMs and VLMs and specifically tailored to robotics. The goal is to integrate the strengths of LLMs and VLMs with computational tools to automatically analyze and solve…

Robotics · Computer Science 2026-02-17 Hamid Khabazi , Ali F. Meghdari , Alireza Taheri

Causal discovery aims to identify causal relationships between variables and is a fundamental problem across the sciences. Traditional statistical causal discovery (SCD) methods rely solely on observational data and ignore the contextual…

Artificial Intelligence · Computer Science 2026-05-27 Hao Duong Le , Xin Xia , Haijie Xu , Chen Zhang

The increasing realism of AI-Generated Images (AIGI) has created an urgent need for forensic tools capable of reliably distinguishing synthetic content from authentic imagery. Existing detectors are typically tailored to specific forgery…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Yangxin Yu , Yue Zhou , Bin Li , Kaiqing Lin , Haodong Li , Jiangqun Ni , Bo Cao

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that…

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

Machine Learning · Computer Science 2026-05-15 Andrew Y. Zhou , Sharvaree Vadgama , Sumanth Varambally , Peter Eckmann , Michael K. Gilson , Rose Yu
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