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Drug discovery is a critical task in biomedical natural language processing (NLP), yet explainable drug discovery remains underexplored. Meanwhile, large language models (LLMs) have shown remarkable abilities in natural language…

Computation and Language · Computer Science 2025-02-28 Kai Zhang , Rui Zhu , Shutian Ma , Jingwei Xiong , Yejin Kim , Fabricio Murai , Xiaozhong Liu

Foundation models, such as Large Language Models (LLMs), can respond to a wide range of format-free queries without any task-specific data collection or model training, creating various research and application opportunities for the…

Systems and Control · Electrical Eng. & Systems 2023-12-13 Chenghao Huang , Siyang Li , Ruohong Liu , Hao Wang , Yize Chen

Large language models (LLMs) bear promise as a fast and accurate material modeling paradigm for evaluation, analysis, and design. Their vast number of trainable parameters necessitates a wealth of data to achieve accuracy and mitigate…

Machine Learning · Computer Science 2024-07-04 Ning Liu , Siavash Jafarzadeh , Brian Y. Lattimer , Shuna Ni , Jim Lua , Yue Yu

In this work, we suggest a parameterized statistical model (the gamma distribution) for the frequency of word occurrences in long strings of English text and use this model to build a corresponding thermodynamic picture by constructing the…

Information Theory · Computer Science 2011-03-01 Kostadin Koroutchev , Jian Shen , Elka Koroutcheva , Manuel Cebrian

In many use-cases, information is stored in text but not available in structured data. However, extracting data from natural language text to precisely fit a schema, and thus enable querying, is a challenging task. With the rise of…

Databases · Computer Science 2023-10-26 Mohammed Saeed , Nicola De Cao , Paolo Papotti

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

High-quality scientific extreme summary (TLDR) facilitates effective science communication. How do large language models (LLMs) perform in generating them? How are LLM-generated summaries different from those written by human experts?…

Computation and Language · Computer Science 2025-12-30 Zhuoqi Lyu , Qing Ke

We have formulated a family of machine learning problems as the time evolution of Parametric Probabilistic Models (PPMs), inherently rendering a thermodynamic process. Our primary motivation is to leverage the rich toolbox of thermodynamics…

Machine Learning · Computer Science 2024-01-31 Shervin Sadat Parsi

The explosion of scientific literature has made the efficient and accurate extraction of structured data a critical component for advancing scientific knowledge and supporting evidence-based decision-making. However, existing tools often…

Human-Computer Interaction · Computer Science 2025-11-06 Xingbo Wang , Samantha L. Huey , Rui Sheng , Saurabh Mehta , Fei Wang

Large language models (LLMs) have demonstrated remarkable performance across a wide range of tasks and domains, with data playing a central role in enabling these advances. Despite this success, the preparation and effective utilization of…

Computation and Language · Computer Science 2026-03-17 Hao Liang , Zhengyang Zhao , Zhaoyang Han , Meiyi Qiang , Xiaochen Ma , Bohan Zeng , Qifeng Cai , Zhiyu Li , Linpeng Tang , Weinan E , Wentao Zhang

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Recent studies have increasingly applied natural language processing (NLP) to automatically extract experimental research data from the extensive battery materials literature. Despite the complex process involved in battery manufacturing --…

Computation and Language · Computer Science 2024-07-23 Daeun Lee , Jaewoong Choi , Hiroshi Mizuseki , Byungju Lee

Large language models (LLMs) excel in many natural language processing (NLP) tasks. However, since LLMs can only incorporate new knowledge through training or supervised fine-tuning processes, they are unsuitable for applications that…

Databases · Computer Science 2024-07-23 Zongyue Qin , Chen Luo , Zhengyang Wang , Haoming Jiang , Yizhou Sun

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

With the accumulation of data at an unprecedented rate, its potential to fuel scientific discovery is growing exponentially. This position paper urges the Machine Learning (ML) community to exploit the capabilities of large generative…

Computation and Language · Computer Science 2024-02-22 Bodhisattwa Prasad Majumder , Harshit Surana , Dhruv Agarwal , Sanchaita Hazra , Ashish Sabharwal , Peter Clark

Growing concerns about climate change and sustainability are driving manufacturers to take significant steps toward reducing their carbon footprints. For these manufacturers, a first step towards this goal is to identify the environmental…

Computation and Language · Computer Science 2025-02-12 Steffen Castle , Julian Moreno Schneider , Leonhard Hennig , Georg Rehm

The advent of natural language processing and large language models (LLMs) has revolutionized the extraction of data from unstructured scholarly papers. However, ensuring data trustworthiness remains a significant challenge. In this paper,…

Materials Science · Physics 2024-08-06 Chinedu Ekuma

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various…

Materials Science · Physics 2023-10-20 Markus J. Buehler

Large Language Models (LLMs) are changing the way we operate our society and will undoubtedly impact power systems as well - but how exactly? By integrating various data streams - including real-time grid data, market dynamics, and consumer…

Computers and Society · Computer Science 2025-04-15 Seyyedreza Madani , Ahmadreza Tavasoli , Zahra Khoshtarash Astaneh , Pierre-Olivier Pineau

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