16–18 Oct 2024
Max Planck Institute for Dynamics of Complex Technical Systems
Europe/Berlin timezone

A concrete CSE workflow framework for FAIR numerical experiments: A multi-layered approach

16 Oct 2024, 17:00
30m
Main/groundfloor-V0.05/2+3 - Prigogine (Max Planck Institute for Dynamics of Complex Technical Systems)

Main/groundfloor-V0.05/2+3 - Prigogine

Max Planck Institute for Dynamics of Complex Technical Systems

Sandtorstr. 1 39106 Magdeburg
100

Speaker

Pavan L. Veluvali (Max Planck Institute for Dynamics of Complex Technical Systems)

Description

Numerical algorithms and computational tools are essential for managing and analyzing complex data processing tasks. As meta-data and parameter-driven simulations have become more prevalent, the need for automated workflows to reproduce computational experiments across platforms has
significantly increased. In general, a computational workflow is defined as a step-by-step description for accomplishing a scientific objective. Characterized through their input-output relation, computational workflows are designed such that the associated meta-data can be used
interchangeably and redundantly. In the present work, we develop a computational framework, namely, MaRDIFlow, that focuses on the abstraction of meta-data while negating the underlying dependencies through multi-layered descriptions. Notably, by allowing the complete range between abstract descriptions and concrete numerical realizations (or even plain input-output data) of the tasks to serve equivalently and possibly redundantly in the definition of the workflows, we provide
the lowest possible barrier for findable, accessible, interoperable and reusable (i.e. FAIR) workflow definitions. We showcase minimum working examples and how they are systematically incorporated into our workflow framework.

Author

Pavan L. Veluvali (Max Planck Institute for Dynamics of Complex Technical Systems)

Co-authors

Jan Heiland Peter Benner

Presentation materials

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