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Significant investments to upgrade and construct large-scale scientific facilities demand commensurate investments in R&D to design algorithms and computing approaches to enable scientific and engineering breakthroughs in the big data era.…

Today, the number of data-intensive and compute-intensive applications like business and scientific workflows has dramatically increased, which made cloud computing more popular in the matter of delivering a large amount of computing…

Cryptography and Security · Computer Science 2022-10-06 Nafiseh Soveizi , Fatih Turkmen , Dimka Karastoyanova

Scientific workflows are critical to scientific data analysis and often involve computationally intensive processing of large datasets on compute clusters. As such, their execution tends to be long-running and resource-intensive, resulting…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-09 Kathleen West , Youssef Moawad , Fabian Lehmann , Vasilis Bountris , Ulf Leser , Yehia Elkhatib , Lauritz Thamsen

Scientific workflows are powerful tools for management of scalable experiments, often composed of complex tasks running on distributed resources. Existing cyberinfrastructure provides components that can be utilized within repeatable…

Computers and Society · Computer Science 2019-03-05 Ilkay Altintas , Shweta Purawat , Daniel Crawl , Alok Singh , Kyle Marcus

It is essential for the advancement of science that scientists and researchers share, reuse and reproduce workflows and protocols used by others. The FAIR principles are a set of guidelines that aim to maximize the value and usefulness of…

Machine Learning · Computer Science 2019-11-22 Remzi Celebi , Joao Rebelo Moreira , Ahmed A. Hassan , Sandeep Ayyar , Lars Ridder , Tobias Kuhn , Michel Dumontier

The rising popularity of computational workflows is driven by the need for repetitive and scalable data processing, sharing of processing know-how, and transparent methods. As both combined records of analysis and descriptions of processing…

Modern workflows run on increasingly heterogeneous computing architectures and with this heterogeneity comes additional complexity. We aim to apply the FAIR principles for research reproducibility by developing software to collect metadata…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Polina Shpilker , Line Pouchard

A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The…

The increasing availability of cloud computing services for science has changed the way scientific code can be developed, deployed, and run. Many modern scientific workflows are capable of running on cloud computing resources. Consequently,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-11 Peter Vaillancourt , Bennett Wineholt , Brandon Barker , Plato Deliyannis , Jackie Zheng , Akshay Suresh , Adam Brazier , Rich Knepper , Rich Wolski

Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. These software combinations and…

Scientific workflows are a cornerstone of modern scientific computing. They are used to describe complex computational applications that require efficient and robust management of large volumes of data, which are typically stored/processed…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-03 Rafael Ferreira da Silva , Loïc Pottier , Tainã Coleman , Ewa Deelman , Henri Casanova

The ability to find data is central to the FAIR principles underlying research data stewardship. As with the ability to reuse data, efforts to ensure and enhance findability have historically focused on discoverability of data by other…

Digital Libraries · Computer Science 2026-02-02 Bryan M. Gee

Scientific applications in HPC environment are more com-plex and more data-intensive nowadays. Scientists usually rely on workflow system to manage the complexity: simply define multiple processing steps into a single script and let the…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-05-17 Dong Dai , Robert Ross , Dounia Khaldi , Yonghong Yan , Matthieu Dorier , Neda Tavakoli , Yong Chen

High-Performance Computing (HPC) centers and cloud providers support an increasingly diverse set of applications on heterogenous hardware. As Artificial Intelligence (AI) and Machine Learning (ML) workloads have become an increasingly…

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

High performance computing (HPC) has driven collaborative science discovery for decades. Exascale computing platforms, currently in the design stage, will be deployed around 2022. The next generation of supercomputers is expected to utilize…

Human-Computer Interaction · Computer Science 2015-10-22 Nan-Chen Chen , Sarah S. Poon , Lavanya Ramakrishnan , Cecilia R. Aragon

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…

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

Scientific workflows consist of thousands of highly parallelized tasks executed in a distributed environment involving many components. Automatic tracing and investigation of the components' and tasks' performance metrics, traces, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-19 Jonathan Bader , Joel Witzke , Soeren Becker , Ansgar Lößer , Fabian Lehmann , Leon Doehler , Anh Duc Vu , Odej Kao

Workflow is a common term used to describe a systematic breakdown of tasks that need to be performed to solve a problem. This concept has found best use in scientific and business applications for streamlining and improving the performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-08 Samiya Khan , Kashish Ara Shakil , Mansaf Alam