English
Related papers

Related papers: Are LLMs Ready for Real-World Materials Discovery?

200 papers

Qualitative researchers use tools to collect, sort, and analyze their data. Should qualitative researchers use large language models (LLMs) as part of their practice? LLMs could augment qualitative research, but it is unclear if their use…

Human-Computer Interaction · Computer Science 2025-03-03 Hope Schroeder , Marianne Aubin Le Quéré , Casey Randazzo , David Mimno , Sarita Schoenebeck

The rapid advancement of Large Language Models (LLMs) has opened new avenues in education. This study examines the use of LLMs in supporting learning in machine learning education; in particular, it focuses on the ability of LLMs to…

Computers and Society · Computer Science 2025-05-27 Smitha Kumar , Michael A. Lones , Manuel Maarek , Hind Zantout

Large Language Models (LLMs) promise to automate data engineering on tabular data, offering enterprises a valuable opportunity to cut the high costs of manual data handling. But the enterprise domain comes with unique challenges that…

Databases · Computer Science 2025-11-18 Jan-Micha Bodensohn , Ulf Brackmann , Liane Vogel , Anupam Sanghi , Carsten Binnig

The emergence of specialized large language models (LLMs) has shown promise in addressing complex tasks for materials science. Many LLMs, however, often struggle with distinct complexities of material science tasks, such as materials…

Computation and Language · Computer Science 2024-09-04 Huan Zhang , Yu Song , Ziyu Hou , Santiago Miret , Bang Liu

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

Large language models (LLMs) are a class of language models that have demonstrated outstanding performance across a range of natural language processing (NLP) tasks and have become a highly sought-after research area, because of their…

Digital Libraries · Computer Science 2023-04-06 Lizhou Fan , Lingyao Li , Zihui Ma , Sanggyu Lee , Huizi Yu , Libby Hemphill

Large Language Models (LLMs) have demonstrated remarkable capabilities in important tasks such as natural language understanding and language generation, and thus have the potential to make a substantial impact on our society. Such…

Computation and Language · Computer Science 2024-05-24 Zhongwei Wan , Xin Wang , Che Liu , Samiul Alam , Yu Zheng , Jiachen Liu , Zhongnan Qu , Shen Yan , Yi Zhu , Quanlu Zhang , Mosharaf Chowdhury , Mi Zhang

Large language models (LLMs) have recently achieved significant success across various application domains, garnering substantial attention from different communities. Unfortunately, even for the best LLM, many \textit{faults} still exist…

Software Engineering · Computer Science 2024-11-06 Qiang Hu , Jin Wen , Maxime Cordy , Yuheng Huang , Wei Ma , Xiaofei Xie , Lei Ma

Large Language Models (LLMs) have seen significant use in domains such as natural language processing and computer vision. Going beyond text, image and graphics, LLMs present a significant potential for analysis of time series data,…

Machine Learning · Computer Science 2024-05-08 Xiyuan Zhang , Ranak Roy Chowdhury , Rajesh K. Gupta , Jingbo Shang

Large Language Model (LLM)-based systems present new opportunities for autonomous health monitoring in sensor-rich industrial environments. This study explores the potential of LLMs to detect and classify faults directly from sensor data,…

Artificial Intelligence · Computer Science 2025-09-30 Xian Yeow Lee , Lasitha Vidyaratne , Ahmed Farahat , Chetan Gupta

The process mining community has recently recognized the potential of large language models (LLMs) for tackling various process mining tasks. Initial studies report the capability of LLMs to support process analysis and even, to some…

Computation and Language · Computer Science 2024-07-03 Adrian Rebmann , Fabian David Schmidt , Goran Glavaš , Han van der Aa

In recent years, the development of Large Language Models (LLMs) has made significant breakthroughs in the field of natural language processing and has gradually been applied to the field of humanities and social sciences research. LLMs…

Computers and Society · Computer Science 2025-04-16 Peiran Gu , Fuhao Duan , Wenhao Li , Bochen Xu , Ying Cai , Teng Yao , Chenxun Zhuo , Tianming Liu , Bao Ge

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

Large language models (LLMs) are gaining increasing popularity in both academia and industry, owing to their unprecedented performance in various applications. As LLMs continue to play a vital role in both research and daily use, their…

Computation and Language · Computer Science 2024-01-01 Yupeng Chang , Xu Wang , Jindong Wang , Yuan Wu , Linyi Yang , Kaijie Zhu , Hao Chen , Xiaoyuan Yi , Cunxiang Wang , Yidong Wang , Wei Ye , Yue Zhang , Yi Chang , Philip S. Yu , Qiang Yang , Xing Xie

The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated…

Materials Science · Physics 2026-04-28 Zhanzhao Li , Kengran Yang , Qiyao He , Kai Gong

Though large language models (LLMs) have enabled great success across a wide variety of tasks, they still appear to fall short of one of the loftier goals of artificial intelligence research: creating an artificial system that can adapt its…

Computation and Language · Computer Science 2026-05-04 Michael A. Lepori , Tal Linzen , Ann Yuan , Katja Filippova

Recent progress in large language model (LLM) reasoning has focused on domains like mathematics and coding, where abundant high-quality data and objective evaluation metrics are readily available. In contrast, progress in LLM reasoning…

Artificial Intelligence · Computer Science 2026-01-12 Tengxiao Liu , Deepak Nathani , Zekun Li , Kevin Yang , William Yang Wang

This paper examines the opportunities, limitations, and practical considerations associated with the use of large language models (LLMs) in qualitative research. Drawing on a multidisciplinary perspective that combines expertise in…

Human-Computer Interaction · Computer Science 2026-05-19 Henry Salgado , Meagan R. Kendall , Martine Ceberio , Alexandra Coso Strong

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu