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arxiv: 2410.14943 · v1 · pith:SMUX3MZR · submitted 2024-10-19 · cs.DC

Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows

Rafael Ferreira da Silva , Deborah Bard , Kyle Chard , Shaun de Witt , Ian T. Foster , Tom Gibbs , Carole Goble , William Godoy
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Johan Gustafsson Utz-Uwe Haus Stephen Hudson Shantenu Jha Laila Los Drew Paine Fr\'ed\'eric Suter Logan Ward Sean Wilkinson Marcos Amaris Yadu Babuji Jonathan Bader Riccardo Balin Daniel Balouek Sarah Beecroft Khalid Belhajjame Rajat Bhattarai Wes Brewer Paul Brunk Silvina Caino-Lores Henri Casanova Daniela Cassol Jared Coleman Taina Coleman Iacopo Colonnelli Anderson Andrei Da Silva Daniel de Oliveira Pascal Elahi Nour Elfaramawy Wael Elwasif Brian Etz Thomas Fahringer Wesley Ferreira Rosa Filgueira Jacob Fosso Tande Luiz Gadelha Andy Gallo Daniel Garijo Yiannis Georgiou Philipp Gritsch Patricia Grubel Amal Gueroudji Quentin Guilloteau Carlo Hamalainen Rolando Hong Enriquez Lauren Huet Kevin Hunter Kesling Paula Iborra Shiva Jahangiri Jan Janssen Joe Jordan Sehrish Kanwal Liliane Kunstmann Fabian Lehmann Ulf Leser Chen Li Peini Liu Jakob Luettgau Richard Lupat Jose M. Fernandez Ketan Maheshwari Tanu Malik Jack Marquez Motohiko Matsuda Doriana Medic Somayeh Mohammadi Alberto Mulone John-Luke Navarro Kin Wai Ng Klaus Noelp Bruno P. Kinoshita Ryan Prout Michael R. Crusoe Sashko Ristov Stefan Robila Daniel Rosendo Billy Rowell Jedrzej Rybicki Hector Sanchez Nishant Saurabh Sumit Kumar Saurav Tom Scogland Dinindu Senanayake Woong Shin Raul Sirvent Tyler Skluzacek Barry Sly-Delgado Stian Soiland-Reyes Abel Souza Renan Souza Domenico Talia Nathan Tallent Lauritz Thamsen Mikhail Titov Benjamin Tovar Karan Vahi Eric Vardar-Irrgang Edite Vartina Yuandou Wang Merridee Wouters Qi Yu Ziad Al Bkhetan Mahnoor Zulfiqar
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classification cs.DC
keywords workflowsworkflowchallengesmulti-facilityscientificsummitenvironmentsfair
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The Workflows Community Summit gathered 111 participants from 18 countries to discuss emerging trends and challenges in scientific workflows, focusing on six key areas: time-sensitive workflows, AI-HPC convergence, multi-facility workflows, heterogeneous HPC environments, user experience, and FAIR computational workflows. The integration of AI and exascale computing has revolutionized scientific workflows, enabling higher-fidelity models and complex, time-sensitive processes, while introducing challenges in managing heterogeneous environments and multi-facility data dependencies. The rise of large language models is driving computational demands to zettaflop scales, necessitating modular, adaptable systems and cloud-service models to optimize resource utilization and ensure reproducibility. Multi-facility workflows present challenges in data movement, curation, and overcoming institutional silos, while diverse hardware architectures require integrating workflow considerations into early system design and developing standardized resource management tools. The summit emphasized improving user experience in workflow systems and ensuring FAIR workflows to enhance collaboration and accelerate scientific discovery. Key recommendations include developing standardized metrics for time-sensitive workflows, creating frameworks for cloud-HPC integration, implementing distributed-by-design workflow modeling, establishing multi-facility authentication protocols, and accelerating AI integration in HPC workflow management. The summit also called for comprehensive workflow benchmarks, workflow-specific UX principles, and a FAIR workflow maturity model, highlighting the need for continued collaboration in addressing the complex challenges posed by the convergence of AI, HPC, and multi-facility research environments.

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