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DTSTAMP:20260611T145143Z
LOCATION:Bldg. 6 - Room 102
DTSTART;TZID=Europe/Stockholm:20260701T100000
DTEND;TZID=Europe/Stockholm:20260701T103000
UID:submissions.pasc-conference.org_PASC26_sess152_msa164@linklings.com
SUMMARY:From Execution to FAIR Publication: Automating Artifacts for Repro
 ducible Workflows
DESCRIPTION:Francesc Lordan (Barcelona Supercomputing Center)\n\nComputati
 onal science increasingly relies on large, complex workflows to process da
 ta, explore parameter spaces, and validate hypotheses at scale. As experim
 ents grow, workflow governance—tracking elements such as configurations, e
 xecution environments, results, and runtime decisions—becomes increasingly
  challenging. Science faces a reproducibility crisis that undermines resea
 rch trustworthiness, with many published results difficult to validate or 
 replicate. In response, conferences and journals increasingly request subm
 ission of experimental artifacts. However, producing complete, reusable ar
 tifacts remains largely manual and error-prone, particularly for large-sca
 le, performance-oriented workflows, highlighting the need for systematic p
 rovenance capture and structured experiment documentation.\n\nThis talk ar
 gues that provenance-aware co-design is essential for trustworthy and repr
 oducible exascale workflows. We present the benefits of enabling the autom
 atic creation of RO-Crate artifacts for large workflow executions. RO-Crat
 e profiles support different levels of detail: Process Run Crates describe
  one or more tools contributing to a computation; Workflow Run Crates capt
 ure the coordinated execution of tools driven by a workflow; and Provenanc
 e Run Crates extend Workflow Run Crates to describe internal details of ea
 ch workflow step. By automatically capturing inputs, outputs, parameters, 
 and execution metadata—and optionally sharing them in WorkflowHub—these RO
 -Crates promote FAIR workflows, strengthening governance, improving valida
 tion and replicability, and preserving scalability with minimal performanc
 e overhead.\n\nDomain: Climate, Weather, and Earth Sciences, Computational
  Methods and Applied Mathematics\n\nSession Chairs: Ali Mohammed (HPE), Fl
 orina Ciorba (University of Basel), and Utz-Uwe Haus (HPE HPC/AI EMEA Rese
 arch Lab)\n\n
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