English
Related papers

Related papers: Machine Learning and Big Scientific Data

200 papers

Herein we review aspects of leading-edge research and innovation in chemistry which exploits big data and machine learning (ML), two computer science fields that combine to yield machine intelligence. ML can accelerate the solution of…

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…

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Rapid advances of hardware-based technologies during the past decades have opened up new possibilities for Life scientists to gather multimodal data in various application domains (e.g., Omics, Bioimaging, Medical Imaging, and…

Machine Learning · Computer Science 2018-01-09 Mufti Mahmud , M. Shamim Kaiser , Amir Hussain , Stefano Vassanelli

Recent advances in machine learning and AI, including Generative AI and LLMs, are disrupting technological innovation, product development, and society as a whole. AI's contribution to technology can come from multiple approaches that…

Artificial Intelligence has been transforming industries and academic research across the globe, and research software development is no exception. Machine learning and deep learning are being applied in every aspect of the research…

Artificial intelligence is transforming molecular and materials science, but its growing computational and data demands raise critical sustainability challenges. In this Perspective, we examine resource considerations across the AI-driven…

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a…

Computation and Language · Computer Science 2025-10-21 Ming Hu , Chenglong Ma , Wei Li , Wanghan Xu , Jiamin Wu , Jucheng Hu , Tianbin Li , Guohang Zhuang , Jiaqi Liu , Yingzhou Lu , Ying Chen , Chaoyang Zhang , Cheng Tan , Jie Ying , Guocheng Wu , Shujian Gao , Pengcheng Chen , Jiashi Lin , Haitao Wu , Lulu Chen , Fengxiang Wang , Yuanyuan Zhang , Xiangyu Zhao , Feilong Tang , Encheng Su , Junzhi Ning , Xinyao Liu , Ye Du , Changkai Ji , Pengfei Jiang , Cheng Tang , Ziyan Huang , Jiyao Liu , Jiaqi Wei , Yuejin Yang , Xiang Zhang , Guangshuai Wang , Yue Yang , Huihui Xu , Ziyang Chen , Yizhou Wang , Chen Tang , Jianyu Wu , Yuchen Ren , Siyuan Yan , Zhonghua Wang , Zhongxing Xu , Shiyan Su , Shangquan Sun , Runkai Zhao , Zhisheng Zhang , Dingkang Yang , Jinjie Wei , Jiaqi Wang , Jiahao Xu , Jiangtao Yan , Wenhao Tang , Hongze Zhu , Yu Liu , Fudi Wang , Yiqing Shen , Yuanfeng Ji , Yanzhou Su , Tong Xie , Hongming Shan , Chun-Mei Feng , Zhi Hou , Diping Song , Lihao Liu , Yanyan Huang , Lequan Yu , Bin Fu , Shujun Wang , Xiaomeng Li , Xiaowei Hu , Yun Gu , Ben Fei , Benyou Wang , Yuewen Cao , Minjie Shen , Jie Xu , Haodong Duan , Fang Yan , Hongxia Hao , Jielan Li , Jiajun Du , Yanbo Wang , Imran Razzak , Zhongying Deng , Chi Zhang , Lijun Wu , Conghui He , Zhaohui Lu , Jinhai Huang , Wenqi Shao , Yihao Liu , Siqi Luo , Yi Xin , Xiaohong Liu , Fenghua Ling , Yuqiang Li , Aoran Wang , Siqi Sun , Qihao Zheng , Nanqing Dong , Tianfan Fu , Dongzhan Zhou , Yan Lu , Wenlong Zhang , Jin Ye , Jianfei Cai , Yirong Chen , Wanli Ouyang , Yu Qiao , Zongyuan Ge , Shixiang Tang , Junjun He , Chunfeng Song , Lei Bai , Bowen Zhou

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 for scientific applications increasingly requires training large models on data that cannot be centralized due to privacy constraints, data sovereignty, or the sheer volume of data generated. Federated learning (FL)…

Machine Learning · Computer Science 2026-03-23 Yijiang Li , Zilinghan Li , Kyle Chard , Ian Foster , Todd Munson , Ravi Madduri , Kibaek Kim

Applications of machine learning (ML) are growing by the day for many unique and challenging scientific applications. However, a crucial challenge facing these applications is their need for ultra low-latency and on-detector ML…

Machine Learning · Computer Science 2022-07-19 Javier Duarte , Nhan Tran , Ben Hawks , Christian Herwig , Jules Muhizi , Shvetank Prakash , Vijay Janapa Reddi

In general, large datasets enable deep learning models to perform with good accuracy and generalizability. However, massive high-fidelity simulation datasets (from molecular chemistry, astrophysics, computational fluid dynamics (CFD), etc.…

Machine Learning · Computer Science 2022-07-27 Wai Tong Chung , Ki Sung Jung , Jacqueline H. Chen , Matthias Ihme

Advances in robotic automation, high-performance computing (HPC), and artificial intelligence (AI) encourage us to conceive of science factories: large, general-purpose computation- and AI-enabled self-driving laboratories (SDLs) with the…

We live in momentous times. The science community is empowered with an arsenal of cosmic messengers to study the Universe in unprecedented detail. Gravitational waves, electromagnetic waves, neutrinos and cosmic rays cover a wide range of…

Instrumentation and Methods for Astrophysics · Physics 2022-07-20 E. A. Huerta , Zhizhen Zhao

Political science, and social science in general, have traditionally been using computational methods to study areas such as voting behavior, policy making, international conflict, and international development. More recently, increasingly…

Computation and Language · Computer Science 2020-05-15 Kakia Chatsiou , Slava Jankin Mikhaylov

Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving…

Artificial Intelligence · Computer Science 2023-06-23 Pan Lu , Liang Qiu , Wenhao Yu , Sean Welleck , Kai-Wei Chang

Data collection is a major bottleneck in machine learning and an active research topic in multiple communities. There are largely two reasons data collection has recently become a critical issue. First, as machine learning is becoming more…

Machine Learning · Computer Science 2019-08-13 Yuji Roh , Geon Heo , Steven Euijong Whang

Deep learning, a branch of artificial intelligence, is a data-driven method that uses multiple layers of interconnected units or neurons to learn intricate patterns and representations directly from raw input data. Empowered by this…

Machine Learning · Computer Science 2025-07-28 Mohd Halim Mohd Noor , Ayokunle Olalekan Ige

At present, artificial intelligence in the form of machine learning is making impressive progress, especially the field of deep learning (DL) [1]. Deep learning algorithms have been inspired from the beginning by nature, specifically by the…

Artificial Intelligence · Computer Science 2020-04-07 Gordana Dodig-Crnkovic

Although the applications of artificial intelligence especially deep learning had greatly improved various aspects of intelligent manufacturing, they still face challenges for wide employment due to the poor generalization ability,…

Artificial Intelligence · Computer Science 2023-12-27 Haotian Zhang , Semujju Stuart Dereck , Zhicheng Wang , Xianwei Lv , Kang Xu , Liang Wu , Ye Jia , Jing Wu , Zhuo Long , Wensheng Liang , X. G. Ma , Ruiyan Zhuang