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The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…

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

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to…

Computation and Language · Computer Science 2025-05-30 Abhipsha Das , Nicholas Lourie , Siavash Golkar , Mariel Pettee

In this paper, an approach for concept extraction from documents using pre-trained large language models (LLMs) is presented. Compared with conventional methods that extract keyphrases summarizing the important information discussed in a…

Computation and Language · Computer Science 2025-04-23 Ebrahim Norouzi , Sven Hertling , Harald Sack

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

The increasing volume of scholarly publications requires advanced tools for efficient knowledge discovery and management. This paper introduces ongoing work on a system using Large Language Models (LLMs) for the semantic extraction of key…

Digital Libraries · Computer Science 2025-10-07 Samy Ateia , Udo Kruschwitz , Melanie Scholz , Agnes Koschmider , Moayad Almohaishi

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

Computation and Language · Computer Science 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

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

Large Language Models (LLMs) are transforming information extraction from academic literature, offering new possibilities for knowledge management. This study presents an LLM-based system designed to extract detailed information about…

Information Retrieval · Computer Science 2025-05-29 Jiseung Yoo , Curran Mahowald , Meiyu Li , Wei Ai

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…

Digital Libraries · Computer Science 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Materials Science · Physics 2025-08-12 Agada Joseph Oche , Arpan Biswas

As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

Artificial Intelligence · Computer Science 2024-11-14 Chao Huang , Huichen Xiao , Chen Chen , Chunyan Chen , Yi Zhao , Shiyu Du , Yiming Zhang , He Sha , Ruixin Gu

People acquire concepts through rich physical and social experiences and use them to understand and navigate the world. In contrast, large language models (LLMs), trained solely through next-token prediction on text, exhibit strikingly…

Computation and Language · Computer Science 2025-11-11 Ningyu Xu , Qi Zhang , Chao Du , Qiang Luo , Xipeng Qiu , Xuanjing Huang , Menghan Zhang

Large language models (LLMs) exhibit strong semantic understanding, yet struggle when user instructions involve ambiguous or conceptually misaligned terms. We propose the Language Graph Model (LGM) to enhance conceptual clarity by…

Computation and Language · Computer Science 2025-11-06 Wenchang Lei , Ping Zou , Yue Wang , Feng Sun , Lei Zhao

Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…

Novel research ideas play a critical role in advancing scientific inquiries. Recent advancements in Large Language Models (LLMs) have demonstrated their potential to generate novel research ideas by leveraging large-scale scientific…

Artificial Intelligence · Computer Science 2025-11-05 Keyu Zhao , Weiquan Lin , Qirui Zheng , Fengli Xu , Yong Li

Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional…

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