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Recording provenance of workflow runs with RO-Crate.

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Workflow Run RO-Crate enhances scientific computation by capturing workflow execution provenance. This interoperable model ensures traceability and reproducibility across diverse systems, improving data quality assessment.

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Area of Science:

  • Computational Science
  • Data Management
  • Scientific Reproducibility

Background:

  • Tracking scientific computation results is crucial for data traceability, reproducibility, and quality assessment.
  • Existing data models for workflow provenance lack interoperable adoption across different workflow management systems.
  • There is a need for a standardized, interoperable approach to capture and share computational workflow provenance.

Purpose of the Study:

  • To introduce Workflow Run RO-Crate, an extension of RO-Crate and Schema.org, for capturing computational workflow execution provenance.
  • To provide a model that bundles workflow inputs, outputs, code, and other associated objects.
  • To facilitate interoperable comparisons between workflow runs from heterogeneous systems.

Main Methods:

  • Developed Workflow Run RO-Crate, extending RO-Crate (Research Object Crate) and Schema.org.
  • Ensured alignment with W3C PROV standards for provenance.
  • Implemented the model in six different workflow management systems.
  • Validated the model through two machine learning use cases in digital image analysis.

Main Results:

  • Workflow Run RO-Crate enables capturing provenance at various granularity levels.
  • The model successfully bundles all associated workflow objects.
  • Interoperable comparisons between workflow runs from heterogeneous systems are now possible.
  • Successful implementation across six workflow systems demonstrates broad applicability.

Conclusions:

  • Workflow Run RO-Crate offers a standardized and interoperable solution for capturing computational workflow provenance.
  • The model supports enhanced traceability, reproducibility, and quality assessment of scientific data products.
  • Its adoption by multiple workflow systems and demonstrated use cases highlight its practical value in scientific research.