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Many large enterprises that operate highly governed and complex ICT environments have no efficient and effective way to support their Data and AI teams in rapidly spinning up and tearing down self-service data and compute infrastructure, to…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-03 Chinkit Patel , Kee Siong Ng

In achieving effective emergency response, the timely acquisition of environmental information, seamless command data transmission, and prompt decision-making are crucial. This necessitates the establishment of a resilient emergency…

Artificial Intelligence · Computer Science 2024-02-08 Weiqi Fu , Lianming Xu , Xin Wu , Li Wang , Aiguo Fei

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…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…

Computational Physics · Physics 2013-12-02 Kevin Jorissen , Fernando D. Vila , John J. Rehr

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by…

Artificial Intelligence · Computer Science 2025-04-10 Jiakang Yuan , Xiangchao Yan , Shiyang Feng , Bo Zhang , Tao Chen , Botian Shi , Wanli Ouyang , Yu Qiao , Lei Bai , Bowen Zhou

The increasing availability of large-scale datasets has fueled rapid progress across many scientific fields, creating unprecedented opportunities for research and discovery while posing significant analytical challenges. Recent advances in…

Artificial Intelligence · Computer Science 2025-12-01 Erzhuo Shao , Yifang Wang , Yifan Qian , Zhenyu Pan , Han Liu , Dashun Wang

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

The evolving landscape of scientific computing requires seamless transitions from experimental to production HPC environments for interactive workflows. This paper presents a structured transition pathway developed at OLCF that bridges the…

Epistemic AI accelerates biomedical discovery by finding hidden connections in the network of biomedical knowledge. The Epistemic AI web-based software platform embodies the concept of knowledge mapping, an interactive process that relies…

Artificial Intelligence · Computer Science 2022-04-04 Da Chen Emily Koo , Heather Bowling , Kenneth Ashworth , David J. Heeger , Stefano Pacifico

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

Despite recent progress in language models and agents for scientific data-driven discovery, further advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks. To fill this…

Artificial Intelligence · Computer Science 2026-05-04 Hanane Nour Moussa , Yifei Li , Zhuoyang Li , Yankai Yang , Cheng Tang , Tianshu Zhang , Nesreen K. Ahmed , Ali Payani , Ziru Chen , Huan Sun

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This…

Current trends point to a future where large-scale scientific applications are tightly-coupled HPC/AI hybrids. Hence, we urgently need to invest in creating a seamless, scalable framework where HPC and AI/ML can efficiently work together…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-06 Jens Domke , Mohamed Wahib , Anshu Dubey , Tal Ben-Nun , Erik W. Draeger

The rapid proliferation of artificial intelligence (AI) models and methods presents growing challenges for research software engineers and researchers who must select, integrate, and maintain appropriate models within complex research…

We design and develop a secret-sharing-scheme-based cyberattack detection model(S3CDM)that can detect unauthorized or illegal activities (especially insider attacks) and protect sensitive information within complex network infrastructures…

Cryptography and Security · Computer Science 2026-04-14 Chi Sing Chum , Jia Lu , Claire Tang , Xiaowen Zhang

Model inference systems are essential for implementing end-to-end data analytics pipelines that deliver the benefits of machine learning models to users. Existing cloud-based model inference systems are costly, not easy to scale, and must…

Cryptography and Security · Computer Science 2024-12-17 Guoyu Hu , Yuncheng Wu , Gang Chen , Tien Tuan Anh Dinh , Beng Chin Ooi

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited…

Machine Learning · Computer Science 2026-05-26 Sanchit Kabra , Nikhil Abhyankar , Saaketh Desai , Prasad Iyer , Chandan K Reddy

The advent of experimental science facilities-instruments and observatories, such as the Large Hadron Collider, the Laser Interferometer Gravitational Wave Observatory, and the upcoming Large Synoptic Survey Telescope-has brought about…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-12 E. A. Huerta , Roland Haas , Shantenu Jha , Mark Neubauer , Daniel S. Katz

Large language models (LLMs) have created new opportunities to enhance the efficiency of scholarly activities; however, challenges persist in the ethical deployment of AI assistance, including (1) the trustworthiness of AI-generated…

Computation and Language · Computer Science 2026-02-27 Mengze Hong , Di Jiang , Chen Jason Zhang , Zichang Guo , Yawen Li , Jun Chen , Shaobo Cui , Zhiyang Su