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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

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Artificial Intelligence · Computer Science 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury

As one of the most advanced techniques in AI, Retrieval-Augmented Generation (RAG) can offer reliable and up-to-date external knowledge, providing huge convenience for numerous tasks. Particularly in the era of AI-Generated Content (AIGC),…

Computation and Language · Computer Science 2024-06-18 Wenqi Fan , Yujuan Ding , Liangbo Ning , Shijie Wang , Hengyun Li , Dawei Yin , Tat-Seng Chua , Qing Li

Over the past decade, extensive research efforts have been dedicated to the extraction of information from textual process descriptions. Despite the remarkable progress witnessed in natural language processing (NLP), information extraction…

Computation and Language · Computer Science 2024-07-29 Julian Neuberger , Lars Ackermann , Han van der Aa , Stefan Jablonski

This paper introduces a system that integrates large language models (LLMs) into the clinical trial retrieval process, enhancing the effectiveness of matching patients with eligible trials while maintaining information privacy and allowing…

Information Retrieval · Computer Science 2024-11-01 Georgios Peikos , Pranav Kasela , Gabriella Pasi

Large Language Models (LLMs) are the cornerstone in automating Requirements Engineering (RE) tasks, underpinning recent advancements in the field. Their pre-trained comprehension of natural language is pivotal for effectively tailoring them…

Software Engineering · Computer Science 2024-05-16 Andreas Vogelsang , Jannik Fischbach

Knowledge graphs (KGs) are vital for knowledge-intensive tasks and have shown promise in reducing hallucinations in large language models (LLMs). However, constructing high-quality KGs remains difficult, requiring accurate information…

Computation and Language · Computer Science 2025-10-14 Ruirui Chen , Weifeng Jiang , Chengwei Qin , Bo Xiong , Fiona Liausvia , Dongkyu Choi , Boon Kiat Quek

Large Language Models (LLMs) demonstrate strong reasoning abilities but face limitations such as hallucinations and outdated knowledge. Knowledge Graph (KG)-based Retrieval-Augmented Generation (RAG) addresses these issues by grounding LLM…

Computation and Language · Computer Science 2025-03-04 Mufei Li , Siqi Miao , Pan Li

Recent advances in large language models (LLMs) have unlocked powerful reasoning and decision-making capabilities. However, their inherent dependence on static parametric memory fundamentally limits their adaptability, factual accuracy, and…

Information Retrieval · Computer Science 2025-08-07 Xinkui Zhao , Haode Li , Yifan Zhang , Guanjie Cheng , Yueshen Xu

Human-like large language models (LLMs), especially the most powerful and popular ones in OpenAI's GPT family, have proven to be very helpful for many natural language processing (NLP) related tasks. Therefore, various attempts have been…

Computation and Language · Computer Science 2024-09-11 Ridong Han , Chaohao Yang , Tao Peng , Prayag Tiwari , Xiang Wan , Lu Liu , Benyou Wang

Human-like large language models (LLMs), especially the most powerful and popular ones in OpenAI's GPT family, have proven to be very helpful for many natural language processing (NLP) related tasks. Therefore, various attempts have been…

Computation and Language · Computer Science 2024-09-12 Ridong Han , Chaohao Yang , Tao Peng , Prayag Tiwari , Xiang Wan , Lu Liu , Benyou Wang

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…

Ontologies are essential for structuring domain knowledge, improving accessibility, sharing, and reuse. However, traditional ontology construction relies on manual annotation and conventional natural language processing (NLP) techniques,…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Ziyu Li , Mu He , Ziyang Ma , Xiaoxu Wu , Gizem Yilmaz , Yiyuan Xia , Bingbing Li , He Tan , Jerry Ying Hsi Fuh , Wen Feng Lu , Anders E. W. Jarfors , Per Jansson

Knowledge graphs play a vital role in numerous artificial intelligence tasks, yet they frequently face the issue of incompleteness. In this study, we explore utilizing Large Language Models (LLM) for knowledge graph completion. We consider…

Computation and Language · Computer Science 2025-02-14 Liang Yao , Jiazhen Peng , Chengsheng Mao , Yuan Luo

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

Humankind's understanding of the world is fundamentally linked to our perception and cognition, with \emph{human languages} serving as one of the major carriers of \emph{world knowledge}. In this vein, \emph{Large Language Models} (LLMs)…

Artificial Intelligence · Computer Science 2024-06-27 Huajun Chen

Narrative data spans all disciplines and provides a coherent model of the world to the reader or viewer. Recent advancement in machine learning and Large Language Models (LLMs) have enable great strides in analyzing natural language.…

Adopting Knowledge Graphs (KGs) as a structured, semantic-oriented, data representation model has significantly improved data integration, reasoning, and querying capabilities across different domains. This is especially true in modern…

Information Retrieval · Computer Science 2026-01-19 Marco Arazzi , Davide Ligari , Serena Nicolazzo , Antonino Nocera

Large Language Models (LLMs) have shown remarkable progress in medical question answering (QA), yet their effectiveness remains predominantly limited to English due to imbalanced multilingual training data and scarce medical resources for…

The integration of Large Language Models (LLMs) with Knowledge Graphs (KGs) offers significant synergistic potential for knowledge-driven applications. One possible integration is the interpretation and generation of formal languages, such…

Databases · Computer Science 2025-04-07 Lars-Peter Meyer , Johannes Frey , Felix Brei , Natanael Arndt
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