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With the rise of large language models (LLMs), researchers are increasingly exploring their applications in var ious vertical domains, such as software engineering. LLMs have achieved remarkable success in areas including code generation…

Software Engineering · Computer Science 2025-04-15 Haolin Jin , Linghan Huang , Haipeng Cai , Jun Yan , Bo Li , Huaming Chen

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

Large Language Models (LLMs), enhanced through agent tuning, have demonstrated remarkable capabilities in Chain-of-Thought (CoT) and tool utilization, significantly surpassing the performance of standalone models. However, the multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Tianhong Gao , Yannian Fu , Weiqun Wu , Haixiao Yue , Shanshan Liu , Gang Zhang

The control of complex laboratory instrumentation often requires significant programming expertise, creating a barrier for researchers lacking computational skills. This work explores the potential of large language models (LLMs), such as…

Artificial Intelligence · Computer Science 2026-04-07 Yong Xie , Kexin He , Andres Castellanos-Gomez

Generative Large Language Models (LLMs) hold significant promise in healthcare, demonstrating capabilities such as passing medical licensing exams and providing clinical knowledge. However, their current use as information retrieval tools…

Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang

Automated interpretability systems aim to reduce the need for human labor and scale analysis to increasingly large models and diverse tasks. Recent efforts toward this goal leverage large language models (LLMs) at increasing levels of…

Artificial Intelligence · Computer Science 2026-03-23 Tal Haklay , Nikhil Prakash , Sana Pandey , Antonio Torralba , Aaron Mueller , Jacob Andreas , Tamar Rott Shaham , Yonatan Belinkov

Multi-purpose Large Language Models (LLMs), a subset of generative Artificial Intelligence (AI), have recently made significant progress. While expectations for LLMs to assist systems engineering (SE) tasks are paramount; the…

Computation and Language · Computer Science 2025-02-17 Taylan G. Topcu , Mohammed Husain , Max Ofsa , Paul Wach

Large Language Models (LLMs) often struggle with mathematical reasoning tasks requiring precise, verifiable computation. While Reinforcement Learning (RL) from outcome-based rewards enhances text-based reasoning, understanding how agents…

Artificial Intelligence · Computer Science 2025-08-21 Xinji Mai , Haotian Xu , Zhong-Zhi Li , Xing W , Weinong Wang , Jian Hu , Yingying Zhang , Wenqiang Zhang

The pace of scientific research, vital for improving human life, is complex, slow, and needs specialized expertise. Meanwhile, novel, impactful research often stems from both a deep understanding of prior work, and a cross-pollination of…

Computation and Language · Computer Science 2025-02-11 Jinheon Baek , Sujay Kumar Jauhar , Silviu Cucerzan , Sung Ju Hwang

Proof engineering is notoriously labor-intensive: proofs that are straightforward on paper often require lengthy scripts in theorem provers. Recent advances in large language models (LLMs) create new opportunities for proof automation:…

Programming Languages · Computer Science 2026-01-08 Yichen Xu , Martin Odersky

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

Textual data annotation, the process of labeling or tagging text with relevant information, is typically costly, time-consuming, and labor-intensive. While large language models (LLMs) have demonstrated their potential as direct…

Computation and Language · Computer Science 2025-08-12 Yu-Min Tseng , Wei-Lin Chen , Chung-Chi Chen , Hsin-Hsi Chen

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

Recent large language models (LLMs) are promising for making decisions in grounded environments. However, LLMs frequently fail in complex decision-making tasks due to the misalignment between the pre-trained knowledge in LLMs and the actual…

Computation and Language · Computer Science 2023-10-27 Siqi Ouyang , Lei Li

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention…

Computation and Language · Computer Science 2023-05-24 Md Mahadi Hassan , Alex Knipper , Shubhra Kanti Karmaker Santu

Large Language Model (LLM) agents, acting on their users' behalf to manipulate and analyze data, are likely to become the dominant workload for data systems in the future. When working with data, agents employ a high-throughput process of…

Large language models (LLMs) show the promise in supporting scientific research implementation, yet their ability to generate correct and executable code remains limited. Existing works largely adopt one-shot settings, ignoring the…

Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-09 Mario Sänger , Ninon De Mecquenem , Katarzyna Ewa Lewińska , Vasilis Bountris , Fabian Lehmann , Ulf Leser , Thomas Kosch

Autonomous agents based on Large Language Models (LLMs) that devise plans and tackle real-world challenges have gained prominence.However, tailoring these agents for specialized domains like quantitative investment remains a formidable…

Artificial Intelligence · Computer Science 2024-02-07 Saizhuo Wang , Hang Yuan , Lionel M. Ni , Jian Guo