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This report documents the programme and the outcomes of Dagstuhl Seminar 22382 "Machine Learning for Science: Bridging Data-Driven and Mechanistic Modelling". Today's scientific challenges are characterised by complexity. Interconnected…

Artificial Intelligence · Computer Science 2023-03-09 Philipp Berens , Kyle Cranmer , Neil D. Lawrence , Ulrike von Luxburg , Jessica Montgomery

Large Language Models (LLMs) have demonstrated remarkable potential in advancing scientific knowledge and addressing complex challenges. In this work, we introduce OmniScience, a specialized large reasoning model for general science,…

Artificial Intelligence · Computer Science 2025-04-24 Vignesh Prabhakar , Md Amirul Islam , Adam Atanas , Yao-Ting Wang , Joah Han , Aastha Jhunjhunwala , Rucha Apte , Robert Clark , Kang Xu , Zihan Wang , Kai Liu

Large Language Models (LLMs) are rapidly reshaping scientific research. We analyze these changes in multiple, large-scale datasets with 2.1M preprints, 28K peer review reports, and 246M online accesses to scientific documents. We find: 1)…

Digital Libraries · Computer Science 2026-01-21 Keigo Kusumegi , Xinyu Yang , Paul Ginsparg , Mathijs de Vaan , Toby Stuart , Yian Yin

In response to the growing complexity and volume of scientific literature, this paper introduces the LLMs4Synthesis framework, designed to enhance the capabilities of Large Language Models (LLMs) in generating high-quality scientific…

Computation and Language · Computer Science 2024-09-30 Hamed Babaei Giglou , Jennifer D'Souza , Sören Auer

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing,…

Artificial Intelligence · Computer Science 2025-08-12 Lance Yao , Suman Samantray , Ayana Ghosh , Kevin Roccapriore , Libor Kovarik , Sarah Allec , Maxim Ziatdinov

The rapid advancement of large language models (LLMs) has opened new boundaries in the extraction and synthesis of medical knowledge, particularly within evidence synthesis. This paper reviews the state-of-the-art applications of LLMs in…

DARWIN is an evolutionary GPT model, utilizing a genetic-algorithm like optimization structure with several independent GPT agents being trained individually using unique training code. Each iteration, the GPT models are prompted to modify…

Neural and Evolutionary Computing · Computer Science 2026-02-06 Henry Jiang

As the applications of large language models (LLMs) expand across diverse fields, the ability of these models to adapt to ongoing changes in data, tasks, and user preferences becomes crucial. Traditional training methods, relying on static…

Machine Learning · Computer Science 2024-06-11 Junhao Zheng , Shengjie Qiu , Chengming Shi , Qianli Ma

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

This paper contributes to speeding up the design and deployment of engineering dynamical systems by proposing a strategy for exploiting domain and expert knowledge for the automated generation of a dynamical system computational model…

Computation and Language · Computer Science 2026-04-23 Matthew Anderson Hendricks , Alice Cicirello

Symbolic regression (SR) has emerged as a powerful tool for automated scientific discovery, enabling the derivation of governing equations from experimental data. A growing body of work illustrates the promise of integrating domain…

Machine Learning · Computer Science 2025-09-04 Bilge Taskin , Wenxiong Xie , Teddy Lazebnik

Natural Language Processing (NLP) aims to analyze text or speech via techniques in the computer science field. It serves applications in the domains of healthcare, commerce, education, and so on. Particularly, NLP has been widely applied to…

Computation and Language · Computer Science 2025-10-14 Yunshi Lan , Xinyuan Li , Hanyue Du , Xuesong Lu , Ming Gao , Weining Qian , Aoying Zhou

The social science of large language models (LLMs) examines how these systems evoke mind attributions, interact with one another, and transform human activity and institutions. We conducted a systematic review of 270 studies, combining text…

Artificial Intelligence · Computer Science 2025-10-28 Xiao Jia , Zhanzhan Zhao

Large Language Models (LLMs) have exhibited remarkable capabilities in understanding and interacting with natural language across various sectors. However, their effectiveness is limited in specialized areas requiring high accuracy, such as…

Computation and Language · Computer Science 2024-01-04 Xianjun Yang , Junfeng Gao , Wenxin Xue , Erik Alexandersson

Learning from data has led to substantial advances in a multitude of disciplines, including text and multimedia search, speech recognition, and autonomous-vehicle navigation. Can machine learning enable similar leaps in the natural and…

Machine Learning · Computer Science 2022-11-22 Alice E. A. Allen , Alexandre Tkatchenko

While large language models (LLMs) have introduced novel paradigms in science and education, their adoption in higher education is constrained by inherent limitations. These include a tendency to produce inaccuracies and high computational…

Physics Education · Physics 2025-12-09 Jian Zhang , Jia Shao

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, enabling them to solve practical tasks. Previous methods manually parse tool documentation and create in-context…

Computation and Language · Computer Science 2025-03-05 Zhengliang Shi , Shen Gao , Lingyong Yan , Yue Feng , Xiuyi Chen , Zhumin Chen , Dawei Yin , Suzan Verberne , Zhaochun Ren

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…

The current paradigm of evaluating Large Language Models (LLMs) through static benchmarks comes with significant limitations, such as vulnerability to data contamination and a lack of adaptability to the evolving capabilities of LLMs.…

Computation and Language · Computer Science 2024-06-26 Zhehao Zhang , Jiaao Chen , Diyi Yang

Large Language Models (LLMs) have reshaped our world with significant advancements in science, engineering, and society through applications ranging from scientific discoveries and medical diagnostics to Chatbots. Despite their ubiquity and…

Artificial Intelligence · Computer Science 2025-08-26 Kushal Raj Bhandari , Pin-Yu Chen , Jianxi Gao