WORKS 2025

20th Workshop on Workflows in Support of Large-Scale Science
November 17
St. Louis, MO, USA

In conjunction with


Proceedings by

WORKS 2025 focuses on the many facets of scientific workflow composition, management, sustainability, and application to domain sciences in an increasingly diverse landscape. WORKS aims to serve as the central meeting point for all the stakeholders involved in the evolving workflows community, and to showcase the latest developments and emerging approaches in the field.

The workshop covers a broad range of topics in the scientific workflow lifecycle that include: reproducible research with workflows; workflow execution in distributed and heterogeneous environments; application of AI/ML in workflow management; workflow provenance; serverless workflows; exascale computing with workflows; stream-processing, interactive, adaptive and data-driven workflows; workflow scheduling and resource management; workflow fault-tolerance, debugging, performance analysis/modeling; big data and AI workflows; workflows integrating emerging computing, storage and networking technologies; etc.

WORKS'25 will be held in conjunction with the International Conference for High Performance Computing, Networking, Storage, and Analysis (SC25) at the America's Center Convention Complex in downtown St. Louis, Missouri (USA).

Workshop Program (Monday 17, 9am to 5:30pm, Room 264)

Time Event
9:00am-9:01am 20th Workshop on Workflows in Support of Large-Scale Science (WORKS25)
Silvina Caino-Lores, Anirban Mandal
9:01am-9:06am Welcome
Anirban Mandal
9:06am-9:24am Paper: RESILIO : A Scalable and Composable Architecture for Tomographic Reconstruction Workflows
Gueroudji, Dorier, Carns, Patel, Bicer, Latham, Ross, Chard, Foster
9:24am-9:42am Paper: A Workflow for Error Analysis for Drug Response Prediction via Statistical Standardization and Distribution Analysis
Gwinn, Wozniak, Jain, Zhu, Partin, Brettin, Stevens
9:42am-10:00am Paper: Integrating and Characterizing HPC Task Runtime Systems for hybrid AI-HPC workloads
Merzky, Titov, Turilli, Jha
10:00am-10:30am Morning Break
10:30am-11:18am Distinguished Talk: The Evolution of Automation in Science — The Pegasus Perspective
Ewa Deelman
11:18am-11:36am Paper: CAMEO: A Co-design Architecture for Multi-objective Energy System Optimization
Meyur, Donald, Martin, Ramachandran, Purohit
11:36am-11:54am Paper: Adapting Classic Scheduling Heuristics for Online Execution under Uncertainty
Chamorro, Twigg-Ho, Coleman, Coleman, Krishnamachari, Khodabandehlou
11:54am-12:12am Paper: State Machine Orchestration of an HPC Workflow in Cloud
Sochat, Pottier, Milroy
12:12am-12:30am Paper: Bridging Speed and Optimality in Job Scheduling: A Hybrid Ant Colony Optimization Approach for Distributed Systems
Jin, Zuk, Raghavan, Jadhav, Hamade, Deelman, Balaprakash
12:30pm-2:00pm Lunch
2:00pm-2:03pm Panel Lightning Talk: Agentic AI for Simulations Workflows
Elisseev, Firth, Edwards, Tanaka, Suriyakumaran, Shkurti, Chachara, Esposito
2:03pm-2:06pm Panel Lightning Talk: Advancing Search and Automated Workflows for Light-Source Data: Progress, Challenges, and Future Outlook
Amusat, Kaur, Giannakou, Ramakrishnan
2:06pm-2:09pm Panel Lightning Talk: Concurrency Patterns and Primitives in Modern AI/ML Scientific Applications
Collier, Gueroudji, Hategan-Marandiuc, Ozik, Wozniak
2:09pm-2:12pm Guest Panelist: Beyond DAGs: Adaptive Streaming Workflows & AI-Driven Workflow Design
Filgueira
2:12pm-2:15pm Guest Panelist Research Without Borders: Bridging the Knowledge Gap
Coleman
2:15pm-3:00pm Panel
3:00pm-3:30pm Afternoon Break
3:30pm-3:48pm Paper: Overcoming Dynamic I/O Boundaries: a Double-Sided Streaming Methodology with dispel4py and CAPIO
Santimaria, Filgueira, Medić, Colonnelli, Aldinucci
3:48pm-4:06pm Paper: DagOnStore: Reliable Data Management for Workflows on the Computing Continuum with DynoStore and DAGonStar
Sanchez-Gallegos, Gonzalez-Compean, Carretero, Montella
4:06pm-4:24pm Paper: LLM Agents for Interactive Workflow Provenance: Reference Architecture and Evaluation Methodology
Souza, Poteet, Etz, Rosendo, Gueroudji, Shin, Bataprakash, Ferreira da Silva
4:24pm-4:42pm Paper: Do Large Language Models Speak Scientific Workflows?
Yildiz, Peterka
4:42pm-5:00pm Paper: Evaluating the Efficacy of LLM-Based Reasoning for Multiobjective HPC Job Scheduling
Jadhav, Jin, Deelman, Balaprakash
5:00pm-5:18pm Paper: The (R)evolution of Scientific Workflows in the Agentic AI Era: Towards Autonomous Science
Shin, Souza, Rosendo, Suter, Wang, Balaprakash, Ferreira da Silva
5:18pm-5:30pm Conclusion
Silvina Caino-Lores

Distinguished Speaker

Ewa Deelman

USC Information Sciences Institute, USA



The Evolution of Automation in Science — The Pegasus Perspective

Over the past two decades, the scientific workflow community has transformed how science is conducted at scale — moving from manual scripting and ad hoc data movement to automated, intelligent systems that enable reproducible, data-driven discovery. Since its founding in 2006, the WORKS workshop has chronicled this evolution, documenting the shift from early grid-enabled workflows to today’s AI-augmented, self-optimizing systems.

This keynote reflects on that journey through the lens of the Pegasus Workflow Management System, one of the earliest and most enduring platforms for scientific automation. It traces how core computer science principles—abstraction, optimization, provenance, and adaptability—have guided Pegasus’s evolution from workflow planning for distributed systems to orchestrating AI-driven, agentic, and self-managing workflows. The talk will conclude with a look toward the future of science automation, where hybrid physical and cyber infrastructures work together to advance knowledge and discovery.

Ewa Deelman's main area of research is distributed computing. She researches how to best support complex scientific applications on a variety of computational environments, including campus clusters, grids, and clouds. She has designed new algorithms for job scheduling, resource provisioning, and data storage optimization in the context of scientific workflows. Since 2000, she has been conducting research in scientific workflows and has been leading the design and development of the Pegasus software that maps complex application workflows onto distributed resources. Pegasus is used by a broad community of researchers in astronomy, bioinformatics, earthquake science, gravitational-wave physics, limnology, and others. Ewa Deelman is also the Principal Investigator for the CI Compass, the NSF Cyberinfrastructure Center of Excellence, which provides leadership, expertise, and active support to cyberinfrastructure practitioners at NSF Major Facilities and throughout the research ecosystem in order to enable ongoing evolution of technologies, practices, and our field, ensuring the integrity and effectiveness of the cyberinfrastructure upon which research and discovery depend. In addition, she is interested in issues of distributed data management, high-level application monitoring, and resource provisioning in grids and clouds.

Important Dates

  • Papers and Abstracts Submission: August 1, 2025 August 8, 2025 (final extension)
  • Paper and Abstract Acceptance Notifications: September 5, 2025
  • Camera-ready Submissions: September 26, 2025
  • Workshop: November 17, 2025

All deadlines are Anywhere on Earth (AoE).

Call for Papers

Scientific workflows have underpinned some of the most significant discoveries of the past several decades. Workflow management systems (WMSs) provide abstraction and automation that enable researchers to easily define sophisticated computational processes, and to then execute them efficiently on parallel and distributed computing systems. As workflows have been adopted by multiple scientific communities, they are becoming more complex and require more sophisticated workflow management capabilities. A workflow can now analyze terabyte-scale data sets; execute millions of individual tasks; coordinate heterogeneous resources and tasks from edge to core; and process near real-time data streams, files, and data placed in different types of storage systems. The computations can be single core workloads, loosely-coupled tasks, or tightly-coupled computations, and can run in heterogeneous distributed computing platforms all within a single workflow.

The Workshop on Workflows in Support of Large-Scale Science (WORKS) focuses on the many facets of scientific workflow composition, management, sustainability, and application to domain sciences in an increasingly diverse and a rapidly evolving technology landscape. WORKS aims to serve as the central meeting point for all the stakeholders involved in the evolving workflows community, and to showcase the latest developments and emerging approaches in the field.

WORKS25 will be held in conjunction with the International Conference for High Performance Computing, Networking, Storage, and Analysis (SC25) at the America’s Center Convention Complex in downtown St. Louis, Missouri (USA).

Topics for the workshop

WORKS25 welcomes original submissions in a broad range of topics in the scientific workflow lifecycle, including but not limited to:

  • Workflow user environments, portals, and advanced AI-augmented front-end workflow tools
  • Data-driven workflow processing (including stream processing workflows)
  • Interactive, adaptive, and dynamic workflows (including workflow steering)
  • Workflow execution in distributed and heterogeneous environments (HPC, clouds, edge, networks, and AI infrastructures)
  • Agentic workflows
  • End-to-end workflows - from instruments to networks to cross-facility enactment
  • Serverless workflows and serverless orchestration
  • Workflows integrating emerging computing, storage and networking technologies (e.g., quantum, DNA)
  • Workflow modeling
  • Workflow composition languages and orchestrators
  • Workflow scheduling and resource management (including energy efficiency and cost)
  • Application of AI/ML to workflow management
  • Performance analysis and debugging of workflows
  • Workflow provenance
  • Workflow fault-tolerance and recovery techniques
  • Workflows and autonomous, self-driving labs
  • Interdisciplinary workflow applications
  • Workflow applications and their requirements
  • Reproducible research using workflows
  • Exascale computing with workflows
  • Big Data analytics workflows, AI workflows

There will be two forms of presentations:

  • Paper presentations - Resulting from the submission of Full papers (up to 12 pages) describing a novel research contribution in the topics listed above.
  • Panel discussions - Resulting from the submission of Abstracts (up to 4 pages) - To celebrate the 20th edition of the workshop, we encourage abstract submissions from early career researchers with ground-breaking ideas, and established researchers with vast experience. The purpose of the contributed panel is to support the discussion of emerging ideas in contrast with previously successful approaches.

Full Papers will undergo a thorough, single blind review process. Each full paper will receive at least three reviews from experts in our Workshop Program Committee. Each full paper will be presented at the workshop, and be included in the SC Workshop Proceedings. Our committee will value efforts towards improving the reproducibility and transparency of the presented research. We encourage full paper submissions to include information about relevant software and data artifacts within the paper. Authors are also encouraged to make available online any products of their paper (e.g., simulators, graphs, experimental results, logs, etc.). However, dedicated Artifact Description (AD)/Artifact Evaluation (AE) appendices are not expected as part of the submission.

Abstracts will undergo a thorough, single blind review process and each will receive at least three reviews from experts in our Workshop Program Committee. Based on the content of the accepted abstracts, the Workshop Chairs will organize a Panel discussion during the workshop centered around the topic of “Trailblazing vs. Time-Tested: Navigating the Future of Scientific Workflows”. One author from each accepted abstract will participate in the panel discussion. Accepted abstracts will not be included in the SC Workshop Proceedings. Unlike some of the previous editions of WORKS, abstracts will not be compiled into a full paper.

Proceedings Publication

Accepted full papers from the workshop will be published in the SC Workshops Proceedings volume, and made available online through the ACM Digital Library.

Paper Submission Guidelines

  • Full papers: Submissions are limited to 12 pages.
  • Abstracts: Submissions are limited to 4 pages.

The format of the paper submissions for Full Papers and Abstracts should be two-column text in the U.S. Letter pages, as per ACM conference proceedings guidelines. All submissions must use the ACM conference proceedings templates available from this link. Latex users, please use the “sigconf” option. Word authors, please use the “Interim Layout”. Page limits include all figures, tables, references, and appendices.

Both Abstracts and Full Papers must be submitted through the official SC25 submission site

Submit Your Abstract or Paper

Organization

General Chairs

Silvina Caino-Lores

French Institute for Research in Computer Science and Automation (INRIA), France

Anirban Mandal

Renaissance Computing Institute (RENCI), UNC Chapel Hill, USA

Publicity Chair and Web Chair

George Papadimitriou (Publicity Chair)

Apple, USA

Arthur Jaquard (Web Chair)

Inria, France

Steering Committee

David Abramson

University of Queensland, Australia

Malcolm Atkinson

University of Edinburgh, UK

Ewa Deelman

University of Southern California, USA

Michela Taufer

University of Tennessee, USA

Program Committee

Rosa M. Badia

Barcelona Supercomputing Center

Changxin Bai

Kettering University

Silvina Caino-Lores

Inria

Jesus Carretero

University Carlos III of Madrid

Henri Casanova

University of Hawaii at Manoa

Alberto Cascajo

University Carlos III of Madrid

Iacoppo Colonnelli

University of Torino

Alexandru Costan

INSA Rennes

Daniel de Oliveira

Fluminese Federal University

Ewa Deelman

USC/ISI

Rafael Ferreira da Silva

Oak Ridge National Laboratory

Sandro Fiore

University of Trento

Sandra Gesing

San Diego Supercomputing Center

William Godoy

Oak Ridge National Laboratory

Amal Gueroudji

Argonne National Laboratory

Daniel S. Katz

National Center for Supercomputing Applications

Jakob Luettgau

Inria

Ketan C. Maheshwari

Oak Ridge National Laboratory

Maciej Malawski

AGH University of Krakow

Anirban Mandal

RENCI

Marta Mattoso

UFRJ

Raffaele Montella

University of Naples Parthenope

Paula Olaya

IBM

Loïc Pottier

Lawrence Livermore National Laboratory

Radu Prodan

University of Innsbruck

Bruno Raffin

Inria

Sashko Ristov

University of Innsbruck

Raul Sirvent

Barcelona Supercomputing Center

Renan Souza

Oak Ridge National Laboratory

Frédéric Suter

Oak Ridge National Laboratory

Domenico Talia

University of Calabria

Douglas Thain

University of Notre Dame

Cong Wang

RENCI

Sean R. Wilkinson

Oak Ridge National Laboratory

Orcun Yildiz

Argonne National Laboratory

Contact

For information please direct your inquiries to the workshop chairs: