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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. (2024)
Evaluation of tools for describing, reproducing and reusing scientific workflows.
In: ing.grid : FAIR data management in engineering sciences, 2023, 1 (1)
doi: 10.26083/tuprints-00026406
Artikel, Zweitveröffentlichung, Verlagsversion

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Kurzbeschreibung (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.

Typ des Eintrags: Artikel
Erschienen: 2024
Autor(en): Diercks, Philipp ; Gläser, Dennis ; Lünsdorf, Ontje ; Selzer, Michael ; Flemisch, Bernd ; Unger, Jörg F.
Art des Eintrags: Zweitveröffentlichung
Titel: Evaluation of tools for describing, reproducing and reusing scientific workflows
Sprache: Englisch
Publikationsjahr: 25 März 2024
Ort: Darmstadt
Publikationsdatum der Erstveröffentlichung: 25 August 2023
Ort der Erstveröffentlichung: Darmstadt
Verlag: Universitäts- und Landesbibliothek Darmstadt
Titel der Zeitschrift, Zeitung oder Schriftenreihe: ing.grid : FAIR data management in engineering sciences
Jahrgang/Volume einer Zeitschrift: 1
(Heft-)Nummer: 1
Kollation: 27 Seiten
DOI: 10.26083/tuprints-00026406
URL / URN: https://tuprints.ulb.tu-darmstadt.de/26406
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Herkunft: Zweitveröffentlichung von TUjournals
Kurzbeschreibung (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.

Freie Schlagworte: FAIR, reproducibility, scientific workflows, tool comparison, workflow management
Status: Verlagsversion
URN: urn:nbn:de:tuda-tuprints-264067
Sachgruppe der Dewey Dezimalklassifikatin (DDC): 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften und Maschinenbau
Fachbereich(e)/-gebiet(e): 16 Fachbereich Maschinenbau
16 Fachbereich Maschinenbau > Institut für Fluidsystemtechnik (FST) (seit 01.10.2006)
16 Fachbereich Maschinenbau > Institut für Fluidsystemtechnik (FST) (seit 01.10.2006) > Forschungsdatenmanagement und digital literacy
Hinterlegungsdatum: 25 Mär 2024 13:25
Letzte Änderung: 26 Mär 2024 08:05
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