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This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we…

Computation and Language · Computer Science 2024-06-03 Luca Foppiano , Guillaume Lambard , Toshiyuki Amagasa , Masashi Ishii

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…

Materials Science · Physics 2025-04-22 Zongrui Pei , Junqi Yin , Jiaxin Zhang

Generative pre-trained transformer (GPT) models have shown promise in clinical entity and relation extraction tasks because of their precise extraction and contextual understanding capability. In this work, we further leverage the Unified…

Computation and Language · Computer Science 2024-07-16 Kriti Bhattarai , Inez Y. Oh , Zachary B. Abrams , Albert M. Lai

Generative Pre-trained Transformer (GPT) is a state-of-the-art machine learning model capable of generating human-like text through natural language processing (NLP). GPT is trained on massive amounts of text data and uses deep learning…

Natural Language Processing (NLP) has witnessed a transformative leap with the advent of transformer-based architectures, which have significantly enhanced the ability of machines to understand and generate human-like text. This paper…

Computation and Language · Computer Science 2025-03-27 Tianhao Wu , Yu Wang , Ngoc Quach

The proliferation of complex structured data in hybrid sources, such as PDF documents and web pages, presents unique challenges for current Large Language Models (LLMs) and Multi-modal Large Language Models (MLLMs) in providing accurate…

Information Retrieval · Computer Science 2025-08-22 Shivani Upadhyay , Messiah Ataey , Syed Shariyar Murtaza , Yifan Nie , Jimmy Lin

Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…

Machine Learning · Computer Science 2024-12-13 Dong Hyeon Mok , Seoin Back

Accurate and comprehensive material databases extracted from research papers are crucial for materials science and engineering, but their development requires significant human effort. With large language models (LLMs) transforming the way…

GPT-3 and several other language models (LMs) can effectively address various natural language processing (NLP) tasks, including machine translation and text summarization. Recently, they have also been successfully employed in the business…

Artificial Intelligence · Computer Science 2023-04-17 Kiran Busch , Alexander Rochlitzer , Diana Sola , Henrik Leopold

We present a demonstration of the utility of NLP for aiding research into energetic materials and associated systems. The NLP method enables machine understanding of textual data, offering an automated route to knowledge discovery and…

Computation and Language · Computer Science 2024-02-13 Francis G. VanGessel , Efrem Perry , Salil Mohan , Oliver M. Barham , Mark Cavolowsky

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Generative pre-trained transformer (GPT) models have revolutionized the field of natural language processing (NLP) with remarkable performance in various tasks and also extend their power to multimodal domains. Despite their success, large…

Computation and Language · Computer Science 2023-08-29 Kaiyuan Gao , Sunan He , Zhenyu He , Jiacheng Lin , QiZhi Pei , Jie Shao , Wei Zhang

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…

Materials Science · Physics 2024-07-02 Kamal Choudhary

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Computation and Language · Computer Science 2023-11-01 Markus J. Buehler

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

The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from published literature. We used natural language processing (NLP) methods to automatically extract material property…

Large language models (LLMs) are playing an increasingly important role in science and engineering. For example, their ability to parse and understand human and computer languages makes them powerful interpreters and their use in…

Materials Science · Physics 2023-10-19 Juan C. Verduzco , Ethan Holbrook , Alejandro Strachan

Extending Large Language Models (LLMs) to advanced applications requires reliable structured output generation. Existing methods which often rely on rigid JSON schemas, can lead to unreliable outputs, diminished reasoning capabilities, and…

Computation and Language · Computer Science 2024-10-25 Chandra Irugalbandara

The Generative Pre-trained Transformer (GPT) represents a notable breakthrough in the domain of natural language processing, which is propelling us toward the development of machines that can understand and communicate using language in a…

The rapid advancements in large language models (LLMs) have greatly expanded the potential for automated code-related tasks. Two primary methodologies are used in this domain: prompt engineering and fine-tuning. Prompt engineering involves…

Software Engineering · Computer Science 2025-02-21 Jiho Shin , Clark Tang , Tahmineh Mohati , Maleknaz Nayebi , Song Wang , Hadi Hemmati
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