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Evaluation of tools for describing, reproducing and reusing scientific workflows

Diercks, Philipp ; Gläser, Dennis ; Lünsdorf, Ontje ; Selzer, Michael ; Flemisch, Bernd ; Unger, Jörg F. (2023)
Evaluation of tools for describing, reproducing and reusing scientific workflows.
In: ing.grid : FAIR data management in engineering sciences, 1 (1)
doi: 10.48694/inggrid.3726
Article, Bibliographie

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Abstract

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 complex workflows to address a specific research question. In order for peer researchers to understand, reproduce and (re)use the findings of a scientific publication, several challenges have to be addressed. For instance, the employed workflow has to be automated and information on all used software must be available for a reproduction of the results. Moreover, the results must be traceable and the workflow documented and readable to allow for external verification and greater trust. In this paper, existing workflow management systems (WfMSs) are discussed regarding their suitability for describing, reproducing and reusing scientific workflows. To this end, a set of general requirements for WfMSs were deduced from user stories that we deem relevant in the domain of computational science and engineering. On the basis of an exemplary workflow implementation, publicly hosted at GitHub (https://github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements), a selection of different WfMSs is compared with respect to these requirements, to support fellow scientists in identifying the WfMSs that best suit their requirements.

Item Type: Article
Erschienen: 2023
Creators: Diercks, Philipp ; Gläser, Dennis ; Lünsdorf, Ontje ; Selzer, Michael ; Flemisch, Bernd ; Unger, Jörg F.
Type of entry: Bibliographie
Title: Evaluation of tools for describing, reproducing and reusing scientific workflows
Language: English
Date: 2023
Place of Publication: Darmstadt
Publisher: Universitäts- und Landesbibliothek Darmstadt
Journal or Publication Title: ing.grid : FAIR data management in engineering sciences
Volume of the journal: 1
Issue Number: 1
Collation: 27 Seiten
DOI: 10.48694/inggrid.3726
URL / URN: https://www.inggrid.org/article/id/3726/
Corresponding Links:
Abstract:

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 complex workflows to address a specific research question. In order for peer researchers to understand, reproduce and (re)use the findings of a scientific publication, several challenges have to be addressed. For instance, the employed workflow has to be automated and information on all used software must be available for a reproduction of the results. Moreover, the results must be traceable and the workflow documented and readable to allow for external verification and greater trust. In this paper, existing workflow management systems (WfMSs) are discussed regarding their suitability for describing, reproducing and reusing scientific workflows. To this end, a set of general requirements for WfMSs were deduced from user stories that we deem relevant in the domain of computational science and engineering. On the basis of an exemplary workflow implementation, publicly hosted at GitHub (https://github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements), a selection of different WfMSs is compared with respect to these requirements, to support fellow scientists in identifying the WfMSs that best suit their requirements.

Uncontrolled Keywords: FAIR, reproducibility, scientific workflows, tool comparison, workflow management
Divisions: 16 Department of Mechanical Engineering
16 Department of Mechanical Engineering > Institute for Fluid Systems (FST) (since 01.10.2006)
16 Department of Mechanical Engineering > Institute for Fluid Systems (FST) (since 01.10.2006) > Research Data Management and Digital Literacy
Date Deposited: 06 Dec 2023 13:23
Last Modified: 26 Mar 2024 08:06
PPN: 513699309
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