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The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

Databases · Computer Science 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

Generative AI, especially through large language models (LLMs), is transforming how technical knowledge can be accessed, reused, and extended. PETSc, a widely used numerical library for high-performance scientific computing, has accumulated…

Advances in technology and computing hardware are enabling scientists from all areas of science to produce massive amounts of data using large-scale simulations or observational facilities. In this era of data deluge, effective coordination…

Databases · Computer Science 2015-03-31 Spyros Blanas , Surendra Byna

Scientific information expresses human understanding of nature. This knowledge is largely disseminated in different forms of text, including scientific papers, news articles, and discourse among people on social media. While important for…

Computation and Language · Computer Science 2025-07-01 Dustin Wright

While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Large language models (LLMs) have emerged as transformative tools in medicine, with strong capabilities in language understanding, reasoning, and structured information extraction. Radiation oncology is particularly well suited for LLM…

The popularity of data science as a discipline and its importance in the emerging economy and industrial progress dictate that machine learning be democratized for the masses. This also means that the current practice of workforce training…

Machine Learning · Computer Science 2024-05-28 Hasan M Jamil

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

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

With the advent of large language models (LLMs), in both the open source and proprietary domains, attention is turning to how to exploit such artificial intelligence (AI) systems in assisting complex scientific tasks, such as material…

Human-Computer Interaction · Computer Science 2024-01-26 Yongtao Liu , Marti Checa , Rama K. Vasudevan

The exponential growth of text-based data in domains such as healthcare, education, and social sciences has outpaced the capacity of traditional qualitative analysis methods, which are time-intensive and prone to subjectivity. Large…

Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be…

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

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

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

Materials Science · Physics 2023-12-12 Rachel K. Luu , Markus J. Buehler

Large language models (LLMs) have gained popularity in various fields for their exceptional capability of generating human-like text. Their potential misuse has raised social concerns about plagiarism in academic contexts. However,…

Human-Computer Interaction · Computer Science 2023-06-02 Luoxuan Weng , Minfeng Zhu , Kam Kwai Wong , Shi Liu , Jiashun Sun , Hang Zhu , Dongming Han , Wei Chen

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

Despite the recent broad adoption of Large Language Models (LLMs) across various domains, their potential for enriching information systems in extracting and exploring Linked Data (LD) and Resource Description Framework (RDF) triplestores…

Information Retrieval · Computer Science 2024-09-25 Omar Mussa , Omer Rana , Benoît Goossens , Pablo Orozco-Terwengel , Charith Perera