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In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across…

Artificial Intelligence · Computer Science 2023-10-13 Shuaiwen Leon Song , Bonnie Kruft , Minjia Zhang , Conglong Li , Shiyang Chen , Chengming Zhang , Masahiro Tanaka , Xiaoxia Wu , Jeff Rasley , Ammar Ahmad Awan , Connor Holmes , Martin Cai , Adam Ghanem , Zhongzhu Zhou , Yuxiong He , Pete Luferenko , Divya Kumar , Jonathan Weyn , Ruixiong Zhang , Sylwester Klocek , Volodymyr Vragov , Mohammed AlQuraishi , Gustaf Ahdritz , Christina Floristean , Cristina Negri , Rao Kotamarthi , Venkatram Vishwanath , Arvind Ramanathan , Sam Foreman , Kyle Hippe , Troy Arcomano , Romit Maulik , Maxim Zvyagin , Alexander Brace , Bin Zhang , Cindy Orozco Bohorquez , Austin Clyde , Bharat Kale , Danilo Perez-Rivera , Heng Ma , Carla M. Mann , Michael Irvin , J. Gregory Pauloski , Logan Ward , Valerie Hayot , Murali Emani , Zhen Xie , Diangen Lin , Maulik Shukla , Ian Foster , James J. Davis , Michael E. Papka , Thomas Brettin , Prasanna Balaprakash , Gina Tourassi , John Gounley , Heidi Hanson , Thomas E Potok , Massimiliano Lupo Pasini , Kate Evans , Dan Lu , Dalton Lunga , Junqi Yin , Sajal Dash , Feiyi Wang , Mallikarjun Shankar , Isaac Lyngaas , Xiao Wang , Guojing Cong , Pei Zhang , Ming Fan , Siyan Liu , Adolfy Hoisie , Shinjae Yoo , Yihui Ren , William Tang , Kyle Felker , Alexey Svyatkovskiy , Hang Liu , Ashwin Aji , Angela Dalton , Michael Schulte , Karl Schulz , Yuntian Deng , Weili Nie , Josh Romero , Christian Dallago , Arash Vahdat , Chaowei Xiao , Thomas Gibbs , Anima Anandkumar , Rick Stevens

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

AI for Mathematics (AI4Math) has emerged as a distinct field that leverages machine learning to navigate mathematical landscapes historically intractable for early symbolic systems. While mid-20th-century symbolic approaches successfully…

History and Overview · Mathematics 2026-05-05 Haocheng Ju , Bin Dong

Artificial intelligence (AI) is being increasingly applied to scientific research, but its benefits remain unevenly distributed across different communities and disciplines. While technical challenges such as limited data, fragmented…

Machine Learning · Computer Science 2026-03-17 Georgia Channing , Avijit Ghosh

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental…

Artificial Intelligence has proven to be a transformative tool for advancing scientific research across a wide range of disciplines. However, a significant gap still exists between AI and scientific communities, limiting the full potential…

Artificial Intelligence · Computer Science 2025-02-19 Yutong Xie , Yijun Pan , Hua Xu , Qiaozhu Mei

Quantum communication and quantum sensing, which leverage the unique characteristics of quantum systems, enable information-theoretically secure communication and high-precision measurement of physical quantities. However, they both face…

Quantum Physics · Physics 2025-11-13 Jiaxin Xu , Lechen Xu , Jingyang Liu , Huajian Ding , Qin Wang

Although artificial intelligence (AI) has achieved many feats at a rapid pace, there still exist open problems and fundamental shortcomings related to performance and resource efficiency. Since AI researchers benchmark a significant…

Artificial Intelligence · Computer Science 2023-10-16 Palaash Agrawal , Cheston Tan , Heena Rathore

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering,…

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

Atmospheric sciences are crucial for understanding environmental phenomena ranging from air quality to extreme weather events, and climate change. Recent breakthroughs in sensing, communication, computing, and Artificial Intelligence (AI)…

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

Artificial Intelligence (AI) is a fast-growing research and development (R&D) discipline which is attracting increasing attention because of its promises to bring vast benefits for consumers and businesses, with considerable benefits…

Artificial Intelligence · Computer Science 2022-05-10 Zhenghua Chen , Min Wu , Alvin Chan , Xiaoli Li , Yew-Soon Ong

A suite of impressive scientific discoveries have been driven by recent advances in artificial intelligence. These almost all result from training flexible algorithms to solve difficult optimization problems specified in advance by teams of…

Artificial Intelligence · Computer Science 2024-12-18 Ruairidh M. Battleday , Samuel J. Gershman

Artificial intelligence (AI) has been increasingly applied in scientific activities for decades; however, it is still far from an insightful and trustworthy collaborator in the scientific process. Most existing AI methods are either too…

Artificial Intelligence · Computer Science 2022-02-08 Morad Behandish , John Maxwell , Johan de Kleer

The ongoing artificial intelligence (AI) revolution has the potential to change almost every line of work. As AI capabilities continue to improve in accuracy, robustness, and reach, AI may outperform and even replace human experts across…

Digital Libraries · Computer Science 2024-06-04 Jian Gao , Dashun Wang

Artificial Intelligence for Science (AI4S) is an emerging research field that utilizes machine learning advancements to tackle complex scientific computational issues, aiming to enhance computational efficiency and accuracy. However, the…

Machine Learning · Computer Science 2023-11-30 Yatao Li , Jianfeng Zhan

AI for science (AI4S) is an emerging research field that aims to enhance the accuracy and speed of scientific computing tasks using machine learning methods. Traditional AI benchmarking methods struggle to adapt to the unique challenges…

Machine Learning · Computer Science 2023-08-14 Yatao Li , Wanling Gao , Lei Wang , Lixin Sun , Zun Wang , Jianfeng Zhan

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang
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