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Related papers: Large Language Model-Driven Database for Thermoele…

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Data-driven materials discovery requires large-scale experimental datasets, yet most of the information remains trapped in unstructured literature. Existing extraction efforts often focus on a limited set of features and have not addressed…

Computation and Language · Computer Science 2025-10-08 Xin Wang , Anshu Raj , Matthew Luebbe , Haiming Wen , Shuozhi Xu , Kun Lu

Large language models (LLMs) have significantly transformed the landscape of artificial intelligence by demonstrating their ability in generating human-like text across diverse topics. However, despite their impressive capabilities, LLMs…

Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence…

Computation and Language · Computer Science 2022-12-13 Alexander Dunn , John Dagdelen , Nicholas Walker , Sanghoon Lee , Andrew S. Rosen , Gerbrand Ceder , Kristin Persson , Anubhav Jain

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient,…

The development of synthesis procedures remains a fundamental challenge in materials discovery, with procedural knowledge scattered across decades of scientific literature in unstructured formats that are challenging for systematic…

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

The number of scientific journal articles and reports being published about energetic materials every year is growing exponentially, and therefore extracting relevant information and actionable insights from the latest research is becoming…

Computation and Language · Computer Science 2019-03-04 Daniel C. Elton , Dhruv Turakhia , Nischal Reddy , Zois Boukouvalas , Mark D. Fuge , Ruth M. Doherty , Peter W. Chung

Objective: To develop a high-throughput biomedical relation extraction system that takes advantage of the large language models'(LLMs) reading comprehension ability and biomedical world knowledge in a scalable and evidential manner.…

Computation and Language · Computer Science 2024-03-27 Songchi Zhou , Sheng Yu

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

Artificial Intelligence · Computer Science 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

In this work, we have proposed a data-driven screening framework combining the interpretable machine learning with high-throughput calculations to identify a series of metal oxides that exhibit both high-temperature tolerance and high power…

Materials Science · Physics 2024-05-01 Shengluo Ma , Yongchao Rao , Xiang Huang , Shenghong Ju

The drug development process necessitates that pharmacologists undertake various tasks, such as reviewing literature, formulating hypotheses, designing experiments, and interpreting results. Each stage requires accessing and querying vast…

Computation and Language · Computer Science 2023-08-01 Hong Lu , Chuan Li , Yinheng Li , Jie Zhao

Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…

Applied Physics · Physics 2024-03-12 Kaidong Song , A. N. M. Tanvir , Md Omarsany Bappy , Yanliang Zhang

Scientific data are widely dispersed across research articles and are often reported inconsistently across text, tables, and figures, making manual data extraction and aggregation slow and error-prone. We present a prompt-driven,…

Artificial Intelligence · Computer Science 2026-04-10 Koushik Rameshbabu , Jing Luo , Ali Shargh , Khalid A. El-Awady , Jaafar A. El-Awady

Climate change poses an urgent global threat, needing the rapid identification and deployment of innovative solutions. We hypothesise that many of these solutions already exist within scientific literature but remain underutilised. To…

Large language models (LLMs) are increasingly touted as powerful tools for automating scientific information extraction. However, existing methods and tools often struggle with the realities of scientific literature: long-context documents,…

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

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

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

Machine Learning · Computer Science 2025-10-28 Hongyu Guo

In this work a Large Language Model (LLM) based workflow is presented that utilizes OpenAI ChatGPT model GPT-3.5-turbo-1106 and Google Gemini Pro model to create summary of text, data and images from research articles. It is demonstrated…

Digital Libraries · Computer Science 2024-02-20 Deepak Prasad , Mayur Pimpude , Alankar Alankar

Data-driven approaches for material discovery and design have been accelerated by emerging efforts in machine learning. However, general representations of crystals to explore the vast material search space remain limited. We introduce a…