P-Plan

dgarijo
Augmenting PROV with Plans in P-PLAN:
           Scientific Processes as Linked Data



             Daniel Garijo                            Yolanda Gil
                OEG-DIA                    Information Sciences Institute and
         Facultad de Informática            Department of Computer Science
    Universidad Politécnica de Madrid       University of Southern California

      dgarijo@delicias.dia.fi.upm.es            http://www.isi.edu/~gil




USC Information Sciences                Yolanda Gil                 gil@isi.edu   1
W3C PROV
                           http://www.w3.org/2011/prov/




USC Information Sciences   Yolanda Gil        gil@isi.edu   2
A Workflow Execution
in PROV
      Benefits:
       •   Makes the work
           inspectable
      Shortcomings:
       •   Hard to reproduce
       •   Not efficient to reuse




USC Information Sciences            Yolanda Gil   gil@isi.edu   3
Reproducibility




USC Information Sciences   Yolanda Gil   gil@isi.edu   4
Replication of Crohn’s Disease Association
     Study from [Duerr et al, Science 06]




USC Information Sciences   Yolanda Gil    gil@isi.edu   5
Replication of Early-Onset Parkinson’s Disease
Study from [Bayrakli et al, Human Mutation 07]




USC Information Sciences   Yolanda Gil   gil@isi.edu   6
Reusability
    Lower cost
      •   “Scientists and engineers spend more than
          60% of their time just preparing the data
          for model input or data-model
          comparison” (NASA A40)
    Better quality
      •   “We write QC without thinking about the
          best way to do the WC. Such approaches
          perpetuate mediocrity. If someone did it
          right once, it would benefit many people.”
          (EC WF CQ)
    More efficient
      •   “I often see that I’m repeating the work
          that 100 other people have been doing to
          obtain and process the data.” (EC WF CQ)
USC Information Sciences                 Yolanda Gil   gil@isi.edu   7
Access to Data Analytics Expertise [Science 2011]




USC Information Sciences   Yolanda Gil    gil@isi.edu   8
The TB-Drugome [Kinnings et al., PLoS CompBio 2010]
                                 “We report a computational
                                 approach to construct a
                                 drug-target network…
                                 applied to the genome of
                                 tuberculosis…”
                                 “The TB-drugome reveals
                                 that approximately one-
                                 third of the drugs examined
                                 have the potential to… treat
                                 tuberculosis…”
                                 “The methodology can be
                                 applied to other pathogens
                                 of interest …”
USC Information Sciences    Yolanda Gil           gil@isi.edu   9
Executable and Abstract Workflow
    What I actually run    The method that I followed




USC Information Sciences   Yolanda Gil         gil@isi.edu   10
The Ontology for Biomedical Investigations
     http://obi-ontology.org/




USC Information Sciences   Yolanda Gil    gil@isi.edu   11
Semantic Web Applications in Neuromedicine
     (SWAN) Ontology http://www.w3.org/TR/hcls-swan/




USC Information Sciences   Yolanda Gil      gil@isi.edu   12
Research Objects
http://www.wf4ever-project.org/research-object-model




 USC Information Sciences   Yolanda Gil       gil@isi.edu   13
Executable and Abstract Workflow
    What I actually run    The method that I followed




USC Information Sciences   Yolanda Gil         gil@isi.edu   14
Semantic Workflows in Wings
[Gil et al 10][Gil et al 09][Kim & Gil et al 08][Kim et al 06]
 Workflows are augmented with
 semantic constraints
   •   Each workflow constituent has a
       variable associated with it
        – Workflow components, arguments,
          datasets
   •   Constraints are used to restrict
       workflow variables
   •   Can define abstract classes of
       components
        – Concrete components model exec. codes
 Workflow reasoners propagate and
 use semantic constraints
 Uses semantic web standards:
 OWL/RDF, SPARQL, rules


USC Information Sciences                     Yolanda Gil   gil@isi.edu   9 15
Ontologies for Data and Workflow Components
   Documents                                                                  Correlation
                               Language                                       Scoring
Plain        Markup
text         InDoc                 En                          ChiSq InfoGain       MutInfo
                                        Fr
htmlDoc                                                              Modeler
                               Model
          latexDoc
                                                                    DecTree     Linear
                                             Dec                    Modeler
                            Size                                                Regression
        Feature                              Tree
        Vector                     SVM                       C4.5    J48

  WSJ-2010                                                          MatLab_LR           R_LR
                                                    Weka-C4.5
 USC Information Sciences                            Yolanda Gil               gil@isi.edu     16
Semantic Workflows: Abstractions Based on
  Ontologies [Gil et al 2011]




                                        TF-IDF                     CODE
     Term Weighting


                                                     Chi Squared                    CODE
                  Correlation Scoring




USC Information Sciences                         Yolanda Gil              gil@isi.edu      17
Publishing Workflows on the Web with OPMW
   http://www.opmw.org
  Red: OPM model                                                Extension of the Open Provenance Model
  Black: OPMW profile (extension)

                                                          hasArtifactTemplate
        Artifact                                                                                                                  account
                                                   Artifact                                       Artifact                                     Artifact
                      Input                   Input              hasArtifactTemplate              Execution                 Execution
                     artifact1               artifact2                                             Input1                    Input2

                                                                                                          used                                account
                                      used                                             user                               used
            hasArtifact                                                                           wasControlledBy                   account
                            used               Process
 Workflow                   Abstract template                                    Agent                                                  account          Execution
                                                                                                                 Execution Node
 template                         Node                          hasProcessTemplate                                                                        account
              hasProcess                 hasAbstractComponent
                                                                                              hasSpecificComponent         Process                      Account
OPM           hasArtifact
                            wasGeneratedBy
                                                      Abstract          subClassOf         Specific                                           account
Graph                                                component                           component               wasGeneratedBy


                                  Output                           hasArtifactTemplate                               Execution
                                 artifact1                                                                             result
                                             Artifact                                              Artifact
                                                                 hasWorkflowTemplate

                      Workflow Template                                                                    Execution Results

 USC Information Sciences                                                        Yolanda Gil                                                  gil@isi.edu            18
Published as Linked Data: Executed Workflow
 + Abstract Workflow + Data + Steps + Codes…




USC Information Sciences   Yolanda Gil   gil@isi.edu   19
P-PLAN: Extending PROV to represent
     plans
         Plan representations can be very complex
          •   Iteration, conditionals, decomposition, etc.
         P-PLAN is a core representation with only:
          •   Sequences of steps
          •   Parallel steps
         P-PLAN, like PROV, is a DAG
          •   Simplest representation of plans




USC Information Sciences                   Yolanda Gil       gil@isi.edu   20
P-Plan




USC Information Sciences   Yolanda Gil   gil@isi.edu   21
Queries about Workflows Published as
     Linked Data
    Find all abstract workflows (?plan) in which a
    given entity (?entity) has been used when
    executing them

    SELECT DISTINCT ?plan WHERE {
      ?entity a p-plan:Entity,prov:Entity;
              p-plan:correspondsTo ?templVariable.
        ?templVariable a p-plan:Variable;
              p-plan:isVariableOfPlan ?plan.}

USC Information Sciences     Yolanda Gil       gil@isi.edu   22
Conclusions
         Linked data as a vehicle to publish science processes
          •   Workflows, experiments, …
         Important to publish method, not just provenance
          •   Reproducibility, efficiency, access to expertise
         W3C PROV useful to publish execution
         P-PLAN is an extension of PROV for publishing methods
          •   Plan, step, variable
         P-PLAN is applicable beyond science




USC Information Sciences                    Yolanda Gil          gil@isi.edu   23
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P-Plan

  • 1. Augmenting PROV with Plans in P-PLAN: Scientific Processes as Linked Data Daniel Garijo Yolanda Gil OEG-DIA Information Sciences Institute and Facultad de Informática Department of Computer Science Universidad Politécnica de Madrid University of Southern California dgarijo@delicias.dia.fi.upm.es http://www.isi.edu/~gil USC Information Sciences Yolanda Gil gil@isi.edu 1
  • 2. W3C PROV http://www.w3.org/2011/prov/ USC Information Sciences Yolanda Gil gil@isi.edu 2
  • 3. A Workflow Execution in PROV Benefits: • Makes the work inspectable Shortcomings: • Hard to reproduce • Not efficient to reuse USC Information Sciences Yolanda Gil gil@isi.edu 3
  • 4. Reproducibility USC Information Sciences Yolanda Gil gil@isi.edu 4
  • 5. Replication of Crohn’s Disease Association Study from [Duerr et al, Science 06] USC Information Sciences Yolanda Gil gil@isi.edu 5
  • 6. Replication of Early-Onset Parkinson’s Disease Study from [Bayrakli et al, Human Mutation 07] USC Information Sciences Yolanda Gil gil@isi.edu 6
  • 7. Reusability Lower cost • “Scientists and engineers spend more than 60% of their time just preparing the data for model input or data-model comparison” (NASA A40) Better quality • “We write QC without thinking about the best way to do the WC. Such approaches perpetuate mediocrity. If someone did it right once, it would benefit many people.” (EC WF CQ) More efficient • “I often see that I’m repeating the work that 100 other people have been doing to obtain and process the data.” (EC WF CQ) USC Information Sciences Yolanda Gil gil@isi.edu 7
  • 8. Access to Data Analytics Expertise [Science 2011] USC Information Sciences Yolanda Gil gil@isi.edu 8
  • 9. The TB-Drugome [Kinnings et al., PLoS CompBio 2010] “We report a computational approach to construct a drug-target network… applied to the genome of tuberculosis…” “The TB-drugome reveals that approximately one- third of the drugs examined have the potential to… treat tuberculosis…” “The methodology can be applied to other pathogens of interest …” USC Information Sciences Yolanda Gil gil@isi.edu 9
  • 10. Executable and Abstract Workflow What I actually run The method that I followed USC Information Sciences Yolanda Gil gil@isi.edu 10
  • 11. The Ontology for Biomedical Investigations http://obi-ontology.org/ USC Information Sciences Yolanda Gil gil@isi.edu 11
  • 12. Semantic Web Applications in Neuromedicine (SWAN) Ontology http://www.w3.org/TR/hcls-swan/ USC Information Sciences Yolanda Gil gil@isi.edu 12
  • 13. Research Objects http://www.wf4ever-project.org/research-object-model USC Information Sciences Yolanda Gil gil@isi.edu 13
  • 14. Executable and Abstract Workflow What I actually run The method that I followed USC Information Sciences Yolanda Gil gil@isi.edu 14
  • 15. Semantic Workflows in Wings [Gil et al 10][Gil et al 09][Kim & Gil et al 08][Kim et al 06] Workflows are augmented with semantic constraints • Each workflow constituent has a variable associated with it – Workflow components, arguments, datasets • Constraints are used to restrict workflow variables • Can define abstract classes of components – Concrete components model exec. codes Workflow reasoners propagate and use semantic constraints Uses semantic web standards: OWL/RDF, SPARQL, rules USC Information Sciences Yolanda Gil gil@isi.edu 9 15
  • 16. Ontologies for Data and Workflow Components Documents Correlation Language Scoring Plain Markup text InDoc En ChiSq InfoGain MutInfo Fr htmlDoc Modeler Model latexDoc DecTree Linear Dec Modeler Size Regression Feature Tree Vector SVM C4.5 J48 WSJ-2010 MatLab_LR R_LR Weka-C4.5 USC Information Sciences Yolanda Gil gil@isi.edu 16
  • 17. Semantic Workflows: Abstractions Based on Ontologies [Gil et al 2011] TF-IDF CODE Term Weighting Chi Squared CODE Correlation Scoring USC Information Sciences Yolanda Gil gil@isi.edu 17
  • 18. Publishing Workflows on the Web with OPMW http://www.opmw.org Red: OPM model Extension of the Open Provenance Model Black: OPMW profile (extension) hasArtifactTemplate Artifact account Artifact Artifact Artifact Input Input hasArtifactTemplate Execution Execution artifact1 artifact2 Input1 Input2 used account used user used hasArtifact wasControlledBy account used Process Workflow Abstract template Agent account Execution Execution Node template Node hasProcessTemplate account hasProcess hasAbstractComponent hasSpecificComponent Process Account OPM hasArtifact wasGeneratedBy Abstract subClassOf Specific account Graph component component wasGeneratedBy Output hasArtifactTemplate Execution artifact1 result Artifact Artifact hasWorkflowTemplate Workflow Template Execution Results USC Information Sciences Yolanda Gil gil@isi.edu 18
  • 19. Published as Linked Data: Executed Workflow + Abstract Workflow + Data + Steps + Codes… USC Information Sciences Yolanda Gil gil@isi.edu 19
  • 20. P-PLAN: Extending PROV to represent plans Plan representations can be very complex • Iteration, conditionals, decomposition, etc. P-PLAN is a core representation with only: • Sequences of steps • Parallel steps P-PLAN, like PROV, is a DAG • Simplest representation of plans USC Information Sciences Yolanda Gil gil@isi.edu 20
  • 21. P-Plan USC Information Sciences Yolanda Gil gil@isi.edu 21
  • 22. Queries about Workflows Published as Linked Data Find all abstract workflows (?plan) in which a given entity (?entity) has been used when executing them SELECT DISTINCT ?plan WHERE { ?entity a p-plan:Entity,prov:Entity; p-plan:correspondsTo ?templVariable. ?templVariable a p-plan:Variable; p-plan:isVariableOfPlan ?plan.} USC Information Sciences Yolanda Gil gil@isi.edu 22
  • 23. Conclusions Linked data as a vehicle to publish science processes • Workflows, experiments, … Important to publish method, not just provenance • Reproducibility, efficiency, access to expertise W3C PROV useful to publish execution P-PLAN is an extension of PROV for publishing methods • Plan, step, variable P-PLAN is applicable beyond science USC Information Sciences Yolanda Gil gil@isi.edu 23