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Summary

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1 1  == Introduction ==
2 2  
3 -Computational provenance is a record of all the steps in a computational scientific workflow, including the code that was run, input data, the computational environment (hardware, OS, compiler versions, library version...), and output data.
3 +Computational provenance is a record of all the steps in a computational scientific workflow, including the code that was run, input data, the computational environment (hardware, OS, compiler versions, library version...), the person who performed each step, and output data.
4 4  
5 5  Capturing computational provenance facilitates:
6 6  
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8 8  * management and tracking of workflows/projects by the scientists/engineers involved
9 9  * evaluation/review by other scientists and engineers
10 10  
11 -
12 -
13 13  == Standards ==
14 14  
15 -Information about the W3C PROV ontology and related tools
13 +The [[W3C PROV standard>>https://www.w3.org/TR/2013/NOTE-prov-overview-20130430/||rel="noopener noreferrer" target="_blank"]] provides a data model and related tools for provenance interchange on the web. The following diagram shows the three base classes of the PROV data model: Entity, Activity, and Agent. These three classes form the basis for the representation of provenance in the EBRAINS Knowledge Graph: every node in the KG has a type which is a subclass of one of these base classes.
16 16  
15 +[[image:starting-points.svg||alt="The three Starting Point classes of the W3C PROV ontology and the properties that relate them."]]
17 17  
18 18  == Storage of provenance in the Knowledge Graph ==
19 19  
19 +We present here the current schemas for representing (a) data analysis and (b) simulations in the Knowledge Graph. These schemas will need to be extended to cover neurorobotics simulations, and probably a more explicit representation of pipelines/workflows (the chaining together of multiple analysis / simulation stages) will be needed.
20 20  
21 +[[image:Workflow provenance in the EBRAINS KG-2.png||alt="KG schema for data analysis"]]
22 +
23 +[[image:Workflow provenance in the EBRAINS KG.png||alt="KG schema for simulation"]]
24 +
25 +(note that the diagrams do not show Agents; the person who launched each analysis/simulation activity is linked to the activity with a ##wasAssociatedWith## connection).
26 +
27 +(% class="box warningmessage" %)
28 +(((
29 +TODO: insert or link to the detailed schemas for each type
30 +)))
31 +
21 21  == Tools for automated capture of provenance ==
22 22  
34 +
35 +Issues to discuss:
36 +
23 23  * on different systems:
24 24  ** HPC systems
25 25  ** neuromorphic systems
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30 30  
31 31  == Communication between computer systems and the KG ==
32 32  
33 -* local cache and synchronization?
47 +Two issues arise:
34 34  
49 +(i) fine-grained provenance information may need to be obtained on compute nodes, which may not have network access;
35 35  
51 +(ii) failures of provenance upload should not cause the workflows to fail;
52 +
53 +An overall solution for both of these issues would perhaps involve a local cache and later synchronization.
54 +
36 36  == User interfaces for browsing, visualizing, and searching provenance information ==
37 37  
38 -
57 +(% class="box infomessage" %)
58 +(((
59 +DISCUSSION NEEDED: integrate visualization of prov information into KG Search UI, and/or develop separate app?
60 +)))
Workflow provenance in the EBRAINS KG-2.png
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