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Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and…

Computation and Language · Computer Science 2025-08-15 Hongchen Wang , Kangming Li , Scott Ramsay , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Large language models (LLMs) have revolutionized natural language processing by achieving state-of-the-art performance across various tasks. Recently, their effectiveness as embedding models has gained attention, marking a paradigm shift…

Computation and Language · Computer Science 2025-07-28 Chongyang Tao , Tao Shen , Shen Gao , Junshuo Zhang , Zhen Li , Kai Hua , Wenpeng Hu , Zhengwei Tao , Shuai Ma

As the knowledge of large language models (LLMs) becomes outdated over time, there is a growing need for efficient methods to update them, especially when injecting proprietary information. Our study reveals that comprehension-intensive…

Computation and Language · Computer Science 2025-05-26 Essa Jan , Moiz Ali , Muhammad Saram Hassan , Fareed Zaffar , Yasir Zaki

Unit testing plays a pivotal role in software development, improving software quality and reliability. However, generating effective test cases manually is time-consuming, prompting interest in unit testing research. Recently, Large…

Software Engineering · Computer Science 2024-12-24 Ye Shang , Quanjun Zhang , Chunrong Fang , Siqi Gu , Jianyi Zhou , Zhenyu Chen

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

Computational Physics · Physics 2025-01-09 Christophe Bajan , Guillaume Lambard

With the advancement of large language models (LLMs), an increasing number of student models have leveraged LLMs to analyze textual artifacts generated by students to understand and evaluate their learning. These student models typically…

Computation and Language · Computer Science 2025-02-03 Jiayi Zhang

There is a growing literature on reasoning by large language models (LLMs), but the discussion on the uncertainty in their responses is still lacking. Our aim is to assess the extent of confidence that LLMs have in their answers and how it…

Computation and Language · Computer Science 2024-12-23 Yudi Pawitan , Chris Holmes

Information extraction and textual comprehension from materials literature are vital for developing an exhaustive knowledge base that enables accelerated materials discovery. Language models have demonstrated their capability to answer…

Computation and Language · Computer Science 2023-08-21 Mohd Zaki , Jayadeva , Mausam , N. M. Anoop Krishnan

This study is a pioneering endeavor to investigate the capabilities of Large Language Models (LLMs) in addressing conceptual questions within the domain of mechanical engineering with a focus on mechanics. Our examination involves a…

Computation and Language · Computer Science 2024-01-25 Jie Tian , Jixin Hou , Zihao Wu , Peng Shu , Zhengliang Liu , Yujie Xiang , Beikang Gu , Nicholas Filla , Yiwei Li , Ning Liu , Xianyan Chen , Keke Tang , Tianming Liu , Xianqiao Wang

Fine-tuning pre-trained large language models (LLMs) on a diverse array of tasks has become a common approach for building models that can solve various natural language processing (NLP) tasks. However, where and to what extent these models…

Computation and Language · Computer Science 2024-10-29 Zheng Zhao , Yftah Ziser , Shay B. Cohen

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and…

Performance · Computer Science 2023-12-04 Longteng Zhang , Xiang Liu , Zeyu Li , Xinglin Pan , Peijie Dong , Ruibo Fan , Rui Guo , Xin Wang , Qiong Luo , Shaohuai Shi , Xiaowen Chu

Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in…

Machine Learning · Computer Science 2024-12-13 Oscar Skean , Md Rifat Arefin , Yann LeCun , Ravid Shwartz-Ziv

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Material selection is a crucial step in conceptual design due to its significant impact on the functionality, aesthetics, manufacturability, and sustainability impact of the final product. This study investigates the use of Large Language…

Computation and Language · Computer Science 2024-05-08 Daniele Grandi , Yash Patawari Jain , Allin Groom , Brandon Cramer , Christopher McComb

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

Machine Learning · Computer Science 2024-10-23 Nishat Raihan , Mohammed Latif Siddiq , Joanna C. S. Santos , Marcos Zampieri

Food consumption and production contribute significantly to global greenhouse gas emissions, making them crucial entry points for mitigating climate change and maintaining a liveable planet. Over the past two decades, food policy…

Artificial Intelligence · Computer Science 2024-11-14 Micha Kaiser , Paul Lohmann , Peter Ochieng , Billy Shi , Cass R. Sunstein , Lucia A. Reisch
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