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Reproducibility and sustainability present significant challenges in bioinformatics software development, where rapidly evolving tools and complex workflows often result in short-lived or difficult-to-adapt pipelines. This paper introduces…

Software Engineering · Computer Science 2025-05-07 Marco Masera , Alessandro Leone , Johannes Köster , Ivan Molineris

Scientific workflow management systems offer features for composing complex computational pipelines from modular building blocks, for executing the resulting automated workflows, and for recording the provenance of data products resulting…

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

In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily…

Software Engineering · Computer Science 2022-11-15 Philipp Diercks , Dennis Gläser , Ontje Lünsdorf , Michael Selzer , Bernd Flemisch , Jörg F. Unger

Scientific workflow has become essential in software engineering because it provides a structured approach to designing, executing, and analyzing scientific experiments. Software developers and researchers have developed hundreds of…

Software Engineering · Computer Science 2023-09-15 Khairul Alam , Banani Roy , Alexander Serebrenik

The prevalence of scientific workflows with high computational demands calls for their execution on various distributed computing platforms, including large-scale leadership-class high-performance computing (HPC) clusters. To handle the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-02-10 Tainã Coleman , Henri Casanova , Ketan Maheshwari , Loïc Pottier , Sean R. Wilkinson , Justin Wozniak , Frédéric Suter , Mallikarjun Shankar , Rafael Ferreira da Silva

Scientific Workflow Systems (SWSs) are advanced software frameworks that drive modern research by orchestrating complex computational tasks and managing extensive data pipelines. These systems offer a range of essential features, including…

Software Engineering · Computer Science 2025-06-26 Khairul Alam , Banani Roy , Chanchal K. Roy , Kartik Mittal

Virtual e-Science infrastructures supporting Web-based scientific workflows are an example for knowledge-intensive collaborative and weakly-structured processes where the interaction with the human scientists during process execution plays…

Artificial Intelligence · Computer Science 2010-12-09 Adrian Paschke , Zhili Zhao

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 2021-06-01 Tainã Coleman , Henri Casanova , Loïc Pottier , Manav Kaushik , Ewa Deelman , Rafael Ferreira da Silva

Describing the relationship between the variables in a study domain and modelling the data generating mechanism is a fundamental problem in many empirical sciences. Probabilistic graphical models are one common approach to tackle the…

Machine Learning · Statistics 2023-12-05 Felix L. Rios , Giusi Moffa , Jack Kuipers

With the advent of large language models (LLMs), there is a growing interest in applying LLMs to scientific tasks. In this work, we conduct an experimental study to explore applicability of LLMs for configuring, annotating, translating,…

Human-Computer Interaction · Computer Science 2025-10-13 Orcun Yildiz , Tom Peterka

WorkingWiki is a software extension for the popular MediaWiki platform that makes a wiki into a powerful environment for collaborating on publication-quality manuscripts and software projects. Developed in Jonathan Dushoff's theoretical…

Human-Computer Interaction · Computer Science 2012-12-11 Lee Worden

Scientific workflows are becoming increasingly popular for compute-intensive and data-intensive scientific applications. The vision and promise of scientific workflows includes rapid, easy workflow design, reuse, scalable execution, and…

Databases · Computer Science 2013-11-26 Víctor Cuevas-Vicenttín , Saumen Dey , Sven Köhler , Sean Riddle , Bertram Ludäscher

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-04 Rafael Ferreira da Silva , Rosa M. Badia , Venkat Bala , Debbie Bard , Peer-Timo Bremer , Ian Buckley , Silvina Caino-Lores , Kyle Chard , Carole Goble , Shantenu Jha , Daniel S. Katz , Daniel Laney , Manish Parashar , Frederic Suter , Nick Tyler , Thomas Uram , Ilkay Altintas , Stefan Andersson , William Arndt , Juan Aznar , Jonathan Bader , Bartosz Balis , Chris Blanton , Kelly Rosa Braghetto , Aharon Brodutch , Paul Brunk , Henri Casanova , Alba Cervera Lierta , Justin Chigu , Taina Coleman , Nick Collier , Iacopo Colonnelli , Frederik Coppens , Michael Crusoe , Will Cunningham , Bruno de Paula Kinoshita , Paolo Di Tommaso , Charles Doutriaux , Matthew Downton , Wael Elwasif , Bjoern Enders , Chris Erdmann , Thomas Fahringer , Ludmilla Figueiredo , Rosa Filgueira , Martin Foltin , Anne Fouilloux , Luiz Gadelha , Andy Gallo , Artur Garcia Saez , Daniel Garijo , Roman Gerlach , Ryan Grant , Samuel Grayson , Patricia Grubel , Johan Gustafsson , Valerie Hayot-Sasson , Oscar Hernandez , Marcus Hilbrich , AnnMary Justine , Ian Laflotte , Fabian Lehmann , Andre Luckow , Jakob Luettgau , Ketan Maheshwari , Motohiko Matsuda , Doriana Medic , Pete Mendygral , Marek Michalewicz , Jorji Nonaka , Maciej Pawlik , Loic Pottier , Line Pouchard , Mathias Putz , Santosh Kumar Radha , Lavanya Ramakrishnan , Sashko Ristov , Paul Romano , Daniel Rosendo , Martin Ruefenacht , Katarzyna Rycerz , Nishant Saurabh , Volodymyr Savchenko , Martin Schulz , Christine Simpson , Raul Sirvent , Tyler Skluzacek , Stian Soiland-Reyes , Renan Souza , Sreenivas Rangan Sukumar , Ziheng Sun , Alan Sussman , Douglas Thain , Mikhail Titov , Benjamin Tovar , Aalap Tripathy , Matteo Turilli , Bartosz Tuznik , Hubertus van Dam , Aurelio Vivas , Logan Ward , Patrick Widener , Sean Wilkinson , Justyna Zawalska , Mahnoor Zulfiqar

The term scientific workflow has evolved over the last two decades to encompass a broad range of compositions of interdependent compute tasks and data movements. It has also become an umbrella term for processing in modern scientific…

Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…

Software Engineering · Computer Science 2025-07-09 S. Lee , C. Myers , A. Yang , T. Zhang , S. J. L. Billinge

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

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…

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