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Automated knowledge extraction from scientific literature can potentially accelerate materials discovery. We have investigated an approach for extracting synthesis protocols for reticular materials from scientific literature using large…

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

Thermoelectric materials provide a sustainable way to convert waste heat into electricity. However, data-driven discovery and optimization of these materials are challenging because of a lack of a reliable database. Here we developed a…

Materials Science · Physics 2025-01-03 Suman Itani , Yibo Zhang , Jiadong Zang

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

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery, although significant challenges remain. While LLMs offer promising few- and…

Computation and Language · Computer Science 2025-09-30 Amit K Verma , Zhisong Zhang , Junwon Seo , Robin Kuo , Runbo Jiang , Emma Strubell , Anthony D Rollett

Recent regulatory initiatives like the European AI Act and relevant voices in the Machine Learning (ML) community stress the need to describe datasets along several key dimensions for trustworthy AI, such as the provenance processes and…

Digital Libraries · Computer Science 2024-05-27 Joan Giner-Miguelez , Abel Gómez , Jordi Cabot

In this paper, we propose a pipeline leveraging Large Language Models (LLMs) for data augmentation in Information Extraction tasks within the legal domain. The proposed method is both simple and effective, significantly reducing the manual…

Computation and Language · Computer Science 2026-01-12 Nguyen Minh Phuong , Ha-Thanh Nguyen , May Myo Zin , Ken Satoh

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

Large, open datasets can accelerate ecological research, particularly by enabling researchers to develop new insights by reusing datasets from multiple sources. However, to find the most suitable datasets to combine and integrate,…

Digital Libraries · Computer Science 2025-10-07 Zehao Lu , Thijs L van der Plas , Parinaz Rashidi , W Daniel Kissling , Ioannis N Athanasiadis

This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available…

Materials Science · Physics 2024-04-23 Wonseok Lee , Yeonghun Kang , Taeun Bae , Jihan Kim

Open science initiatives have strengthened scientific integrity and accelerated research progress across many fields, but the state of their practice within transportation research remains under-investigated. Key features of open science,…

This paper describes a rapid feasibility study of using GPT-4, a large language model (LLM), to (semi)automate data extraction in systematic reviews. Despite the recent surge of interest in LLMs there is still a lack of understanding of how…

Computation and Language · Computer Science 2025-02-14 Lena Schmidt , Kaitlyn Hair , Sergio Graziosi , Fiona Campbell , Claudia Kapp , Alireza Khanteymoori , Dawn Craig , Mark Engelbert , James Thomas

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

Large Language Models (LLMs) demonstrate remarkable capabilities in replicating human tasks and boosting productivity. However, their direct application for data extraction presents limitations due to a prioritisation of fluency over…

Computation and Language · Computer Science 2024-06-13 Aman Ahluwalia , Suhrud Wani

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

The reasoning capabilities of Large Language Models (LLMs) play a critical role in many downstream tasks, yet depend strongly on the quality of training data. Despite various proposed data construction methods, their practical utility in…

Computation and Language · Computer Science 2025-10-09 Yike Zhao , Simin Guo , Ziqing Yang , Shifan Han , Dahua Lin , Fei Tan

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

A Language Model is a term that encompasses various types of models designed to understand and generate human communication. Large Language Models (LLMs) have gained significant attention due to their ability to process text with human-like…

Computation and Language · Computer Science 2024-06-12 Sylvio Barbon Junior , Paolo Ceravolo , Sven Groppe , Mustafa Jarrar , Samira Maghool , Florence Sèdes , Soror Sahri , Maurice Van Keulen

Although large language models (LLMs) have advanced the state-of-the-art in NLP significantly, deploying them for downstream applications is still challenging due to cost, responsiveness, control, or concerns around privacy and security. As…

Computation and Language · Computer Science 2023-11-01 Dong-Ho Lee , Jay Pujara , Mohit Sewak , Ryen W. White , Sujay Kumar Jauhar

We present LLMStructBench, a novel benchmark for evaluating Large Language Models (LLMs) on extracting structured data and generating valid JavaScript Object Notation (JSON) outputs from natural-language text. Our open dataset comprises…

Computation and Language · Computer Science 2026-02-17 Sönke Tenckhoff , Mario Koddenbrock , Erik Rodner