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Continuous Integration of Open
 Biological Ontology Libraries
           Chris Mungall
     Lawrence Berkeley National
            Laboratory
Outline
• What is Continuous Integration and why we
  need it for ontologies
• A build tool for ontologies: OORT
• Example workflows: GO and HPO
• Lessons learned
Reuse and modularization of
                    ontologies
  • Re-use, don’t re-invent
      – OBO Foundry
  • Modularize
      – Ontologies should not be monolithic
        standalone entities
      – Apply Rector normalization pattern
           • Building block approach
      – Analogous to software engineering

                               Rector A. Modularisation of domain ontologies implemented in
http://obofoundry.org          Description Logics and related formalisms including OWL. Proceedings of
                               the 2nd international conference on Knowledge capture (2003)
Examples of ontology re-use
     • GO is re-using the CHEBI classification of
       chemical entities                                                         carotenoid
                                                                                                    carotenoid
                                                                                                     biosynth


           – Using GONG* methodology                                             xanthophyll
                                                                                                    xanthophyll
                                                                                                     biosynth

           – Automated classification
     • The Human Phenotype (HP) ontology is re-
       using FMA classification of anatomical
       structures
     • GFF3 format re-uses SO for genome feature
       types and validation
*Wroe, C. J., Stevens, R., Goble, C. A., & Ashburner, M. (2003). A methodology to migrate the gene ontology to a
description logic environment using DAML+OIL. Pac Symp Biocomput, 624-35.
Reuse is not problem-free
• Modules which are tested in one context may not work
  in another
   – Example: Therac-25 radiation therapy machine fatal errors
   – Causes of failure were complex
      • Software tested and used on previous models was re-used
   – Most software engineers are personally familiar with less
     lethal examples

                   • Lesson:
                       – Not an excuse to re-implement de-novo
                       – Integration testing is vital
                       – This applies to ontologies too
                           • Inter-ontology integration
                           • Integration between ontologies and software
                             systems
Integration testing in software
              engineering
• Traditional waterfall model
  – Integration testing at end
  – Deferral = pain


                • Agile, test-driven model
                    – automated Continuous
                      integration (CI) testing
                    – Immediate feedback
               http://martinfowler.com/articles/continuousIntegration.html
Example CI Server Architecture
                Developer

                                                     Developer
                     Local
                      IDE                            Local
                                                      IDE
              java

                                              java

                             update/
                             commit
  Web
   CI   Web
   UI   VCS
                         VCS
         UI                                           external
                        server
                                                       code
                                                     repository


                            java       perl
         production                                         Release
                                                deploy       Release
        environment
           clone          CI
                        Server
Jenkins-CI
• A popular extendable open source continuous
  integration server
• Easy to set up and administer
• Multiple plugins
• Large helpful user base
• Powerful, clean web based dashboard
• Integrates with most Version Control Systems
  (VCSs)
                                    http://jenkins-ci.org/
What’s this got to do with ontologies?
Software Engineering         Ontology Engineering


Source Code (.java, .pm)     Ontology (.owl, .obo)
Version control system       Version control system
Builds/Releases              Builds/Releases
IDE (Eclipse, Netbeans, …)   ODE (Protégé, OBO-Edit)
Bugs                         ‘true path’ violations, inconsistencies
Junit/Xunit Tests            • OWL Logical Axioms
                             • Structural constraints
                             • Terminology checks
Build tool (ant, maven)      ???
Integration tests            ???
Integration server           Integration server
Oort: A build tool for ontologies
                                                                 .obo         .owl
   • What does it do?
       – Runs ‘ontology unit tests’ and creates releases        obo2owl                   .gaf

       – Logical tests:
            • No unsatisfiable classes
            • No inferred equivalencies between named classes                Oort

       – Other tests:                                                     OWL
            • ≤ 1 textual definition per class                            API
                                                                                       Reasoner

            • ≤ 1 RDFS label per class
   • How does it work?                                                     verifications
       – Built on top of OWL-API
            • Most OWL reasoners are available
                                                                 owl2obo
       – GUI
                                                                                           report
            • For end-users                                       .obo
                                                                                             report
                                                                                               report
                                                                    .obo
       – Command line
            • For use in CI server                                            .owl
                                                                                .owl


http://code.google.com/p/owltools/wiki/OortIntro
Example basic workflow
• Client:
   – Make local modifications using
     OBO Edit
   – Commit changes to SVN
   – (optionally) checks dashboard in
     web browser
Example basic workflow
• Client:
   – Make local modifications using
     OBO Edit
   – Commit changes to SVN
   – (optionally) checks dashboard in
     web browser


• Server:
   – Jenkins polls SVN
   – External commit triggers     •     build-go job:
     Jenkins to launch the build-        –   Load main ontology
     go job (using Oort)                 –   Import external disjointness axioms
                                         –   Launch hermit
                                         –   Write reasoner report
                                         –   Fail if unsatisfiable classes found
                                         –   Run additional perl checks, ensure external
                                             xrefs resolve, etc
Example basic workflow




                                                                 FAIL
• Write reasoner report                  SUCCESS
• If previous build was fail, Jenkins
  sends ‘service resumed’ email
• Downstream jobs are triggered           • Jenkins sends email alert to mail list
     • (e.g. bigger integrated builds,    • GO editor debugs, fixes then recommits
        deployment)
OBO Jenkins dashboard




In progress –
Cell ontology (cl)
 build

        Red ball = FAIL
                          ‘outlook’
                                      http://build.berkeleybop.org/
Why we need this for GO
    • GO is gradually moving towards leveraging
      external ontologies and automated reasoning
         – E.g.New metabolism terms come in via TermGenie
              • User simply selects CHEBI class
         – Automated graph placement (Elk)
              CHEBI            GO



                                            ‘carotenoid biosynthesis’ EquivalentTo
                               carotenoid
              carotenoid
                                biosynth
                                             biosynthesis and
                                              ‘has output’ some carotenoid


                              xanthophyll
                                              ‘xanthophyll biosynthesis’ EquivalentTo
             xanthophyll                       biosynthesis and
                               biosynth
                                                ‘has output’ some xanthophyll

http://go.termgenie.org
Why we need this for GO
   • Automated quality control using reasoning
          – Taxon constraints
          – Useful for false function predictions
  CHEBI                         GO                                       NCBITaxon

                                                                                           ‘in taxon’ some Metazoa
                                                    never in
                                                                                              DisjointWith
  carotenoid
                               carotenoid
                                                                            Metazoan        ‘in taxon’ some Viridiplantae
                                biosynth


                                                        ‘carotenoid biosynthesis’ DisjointWith
                               xanthophyll               ‘in taxon’ some Metazoa
  xanthophyll
                                biosynth




Deegan, J., Dimmer, E., & Mungall, C. J. (2010). Formalization of taxon-based constraints to detect inconsistencies in
annotation and ontology development. BMC bioinformatics, 11(1), 530. BioMed Central Ltd. doi:10.1186/1471-2105-11-530
Errors propagate in an integrated
CHEBI
              environment   GO               MGI          NCBITaxon



                                          never in
                            carotenoid
carotenoid                                                   Metazoan
                             biosynth



                            xanthophyll
xanthophyll
                             biosynth                          Mus
                                                             Musculus
   X                           X
                                                        in taxon
                             xanthine      Ada (gene)
 xanthine
                             biosynth
                                                        Inference:
              propagation                                    Ada SubClassOf owl:Nothing
                of errors
Server-side integration tests are vital
 CHEBI                      GO               MGI          NCBITaxon



                                          never in
                            carotenoid
carotenoid                                                   Metazoan
                             biosynth



                            xanthophyll
xanthophyll
                             biosynth                          Mus
                                                             Musculus
   X                           X
                                                        in taxon
                             xanthine      Ada (gene)
 xanthine
                             biosynth
                                                        Inference:
              propagation                                    Ada SubClassOf owl:Nothing
                of errors


• Problem may not be apparent in developers local
  environment
       – Manifests when GO is integrated with gene associations
• With CI, errors can be fixed at source
Staged builds
• Fowler Principle: ‘Keep the build fast’
• Staged builds
  – Balances needs of bug finding and speed
      Fastest;                 Most complete;
     Low CPU                     High CPU

                  Ontology         System
       Basic
                 Integration     Integration
       Build
                    Build           Build



       GO        CHEBI         Annotations


     disjoints   Uberon

                  CL
      Taxon

                  PR
User experience
• Previous environment:
  – Daily cron job, monolithic perl scripts
• Informal survey results:
  – Gene Ontology developers love Jenkins
• Popular Features:
  –   Transparency of build process
  –   Direct feedback
  –   User-friendliness
  –   ‘build lights’
• Particularly useful for obo/owl hybrid
  workflows
Human Phenotype Ontology is
                         deployed using CI
     • HPO: ~10k classes
     • Logical definitions have dependencies on:
             – FMA; PATO; Uberon; GO; CL
     • Annotations
             – Link OMIM disorders to HPO classes
     • Validation
             – Oort and GULO
     • Uses Hudson rather than Jenkins
Koehler S et al (2008) Improving ontologies by automatic reasoning and evaluation of logical definitions. BMC Bioinformatics 12(1)
CI best practice: use a VCS
• Ontologies are source code
   – Always use a version control system to manage your
     source code
      • Sorry, this is non-negotiable
• CI server integration with VCSs is a great feature
   – Polling
   – Commit metadata coupled with builds
• Downside of VCSs:
   – OWL syntaxes are almost always preferable to obo format,
     except
      • They suck with VCSs – spurious diffs
      • We’re working on a solution
Future Enhancements

• Migrate OBO-Edit verification checks to OWL API
• Phase out perl and OBO-Format validation scripts
  and move to OWLAPI plus OPPL2 for scripting
• Extend GO validation pipeline to include term
  enrichment gold standard sets
  – E.g. after ontology change does the p-value of
    angiogenesis change in the glioblastoma gene set?
     • (Example stolen from Erik Clarke’s talk)
Availability
• Oort:
     • http://code.google.com/p/owltools/wiki/OortIntro
• OBO build server:
     • http://build.berkeleybop.org
     • You can request to have your ontology and custom
       build pipeline added
          – obo-admin@obofoundry.org
     • Easy to clone our config and set up your own server
Conclusions
• What works for software can work for ontologies
   – Ontology engineering should become more like Software
     engineering
• Ontology re-use can be hard
   – A CI server is vital for staying integrated
• Simple = good
   – Admin: Jenkins is easy to set up and maintain
   – Users: +1
• Successful for GO, HPO
   – Now being extended to other ontologies
   – May be a vital component in OBO Foundry infrastructure
• CI will be integral as information systems evolve to
  depend more on ontologies
Acknowledgments
• Tanya Berardini, Rebecca Foulger, David Hill, Jane
  Lomax, Paola Roncaglia, Midori Harris, Ramona
  Walls, Laurel Cooper (beta testers)
• Heiko Dietze (Oort)
• Sebastian Bauer (HPO)
• Seth Carbon, Amelia Ireland (Jenkins wrangling)
• GO PIs
• Jenkins

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Ontologies and Continuous Integration

  • 1. Continuous Integration of Open Biological Ontology Libraries Chris Mungall Lawrence Berkeley National Laboratory
  • 2. Outline • What is Continuous Integration and why we need it for ontologies • A build tool for ontologies: OORT • Example workflows: GO and HPO • Lessons learned
  • 3. Reuse and modularization of ontologies • Re-use, don’t re-invent – OBO Foundry • Modularize – Ontologies should not be monolithic standalone entities – Apply Rector normalization pattern • Building block approach – Analogous to software engineering Rector A. Modularisation of domain ontologies implemented in http://obofoundry.org Description Logics and related formalisms including OWL. Proceedings of the 2nd international conference on Knowledge capture (2003)
  • 4. Examples of ontology re-use • GO is re-using the CHEBI classification of chemical entities carotenoid carotenoid biosynth – Using GONG* methodology xanthophyll xanthophyll biosynth – Automated classification • The Human Phenotype (HP) ontology is re- using FMA classification of anatomical structures • GFF3 format re-uses SO for genome feature types and validation *Wroe, C. J., Stevens, R., Goble, C. A., & Ashburner, M. (2003). A methodology to migrate the gene ontology to a description logic environment using DAML+OIL. Pac Symp Biocomput, 624-35.
  • 5. Reuse is not problem-free • Modules which are tested in one context may not work in another – Example: Therac-25 radiation therapy machine fatal errors – Causes of failure were complex • Software tested and used on previous models was re-used – Most software engineers are personally familiar with less lethal examples • Lesson: – Not an excuse to re-implement de-novo – Integration testing is vital – This applies to ontologies too • Inter-ontology integration • Integration between ontologies and software systems
  • 6. Integration testing in software engineering • Traditional waterfall model – Integration testing at end – Deferral = pain • Agile, test-driven model – automated Continuous integration (CI) testing – Immediate feedback http://martinfowler.com/articles/continuousIntegration.html
  • 7. Example CI Server Architecture Developer Developer Local IDE Local IDE java java update/ commit Web CI Web UI VCS VCS UI external server code repository java perl production Release deploy Release environment clone CI Server
  • 8. Jenkins-CI • A popular extendable open source continuous integration server • Easy to set up and administer • Multiple plugins • Large helpful user base • Powerful, clean web based dashboard • Integrates with most Version Control Systems (VCSs) http://jenkins-ci.org/
  • 9. What’s this got to do with ontologies? Software Engineering Ontology Engineering Source Code (.java, .pm) Ontology (.owl, .obo) Version control system Version control system Builds/Releases Builds/Releases IDE (Eclipse, Netbeans, …) ODE (Protégé, OBO-Edit) Bugs ‘true path’ violations, inconsistencies Junit/Xunit Tests • OWL Logical Axioms • Structural constraints • Terminology checks Build tool (ant, maven) ??? Integration tests ??? Integration server Integration server
  • 10. Oort: A build tool for ontologies .obo .owl • What does it do? – Runs ‘ontology unit tests’ and creates releases obo2owl .gaf – Logical tests: • No unsatisfiable classes • No inferred equivalencies between named classes Oort – Other tests: OWL • ≤ 1 textual definition per class API Reasoner • ≤ 1 RDFS label per class • How does it work? verifications – Built on top of OWL-API • Most OWL reasoners are available owl2obo – GUI report • For end-users .obo report report .obo – Command line • For use in CI server .owl .owl http://code.google.com/p/owltools/wiki/OortIntro
  • 11. Example basic workflow • Client: – Make local modifications using OBO Edit – Commit changes to SVN – (optionally) checks dashboard in web browser
  • 12. Example basic workflow • Client: – Make local modifications using OBO Edit – Commit changes to SVN – (optionally) checks dashboard in web browser • Server: – Jenkins polls SVN – External commit triggers • build-go job: Jenkins to launch the build- – Load main ontology go job (using Oort) – Import external disjointness axioms – Launch hermit – Write reasoner report – Fail if unsatisfiable classes found – Run additional perl checks, ensure external xrefs resolve, etc
  • 13. Example basic workflow FAIL • Write reasoner report SUCCESS • If previous build was fail, Jenkins sends ‘service resumed’ email • Downstream jobs are triggered • Jenkins sends email alert to mail list • (e.g. bigger integrated builds, • GO editor debugs, fixes then recommits deployment)
  • 14. OBO Jenkins dashboard In progress – Cell ontology (cl) build Red ball = FAIL ‘outlook’ http://build.berkeleybop.org/
  • 15. Why we need this for GO • GO is gradually moving towards leveraging external ontologies and automated reasoning – E.g.New metabolism terms come in via TermGenie • User simply selects CHEBI class – Automated graph placement (Elk) CHEBI GO ‘carotenoid biosynthesis’ EquivalentTo carotenoid carotenoid biosynth biosynthesis and ‘has output’ some carotenoid xanthophyll ‘xanthophyll biosynthesis’ EquivalentTo xanthophyll biosynthesis and biosynth ‘has output’ some xanthophyll http://go.termgenie.org
  • 16. Why we need this for GO • Automated quality control using reasoning – Taxon constraints – Useful for false function predictions CHEBI GO NCBITaxon ‘in taxon’ some Metazoa never in DisjointWith carotenoid carotenoid Metazoan ‘in taxon’ some Viridiplantae biosynth ‘carotenoid biosynthesis’ DisjointWith xanthophyll ‘in taxon’ some Metazoa xanthophyll biosynth Deegan, J., Dimmer, E., & Mungall, C. J. (2010). Formalization of taxon-based constraints to detect inconsistencies in annotation and ontology development. BMC bioinformatics, 11(1), 530. BioMed Central Ltd. doi:10.1186/1471-2105-11-530
  • 17. Errors propagate in an integrated CHEBI environment GO MGI NCBITaxon never in carotenoid carotenoid Metazoan biosynth xanthophyll xanthophyll biosynth Mus Musculus X X in taxon xanthine Ada (gene) xanthine biosynth Inference: propagation Ada SubClassOf owl:Nothing of errors
  • 18. Server-side integration tests are vital CHEBI GO MGI NCBITaxon never in carotenoid carotenoid Metazoan biosynth xanthophyll xanthophyll biosynth Mus Musculus X X in taxon xanthine Ada (gene) xanthine biosynth Inference: propagation Ada SubClassOf owl:Nothing of errors • Problem may not be apparent in developers local environment – Manifests when GO is integrated with gene associations • With CI, errors can be fixed at source
  • 19. Staged builds • Fowler Principle: ‘Keep the build fast’ • Staged builds – Balances needs of bug finding and speed Fastest; Most complete; Low CPU High CPU Ontology System Basic Integration Integration Build Build Build GO CHEBI Annotations disjoints Uberon CL Taxon PR
  • 20. User experience • Previous environment: – Daily cron job, monolithic perl scripts • Informal survey results: – Gene Ontology developers love Jenkins • Popular Features: – Transparency of build process – Direct feedback – User-friendliness – ‘build lights’ • Particularly useful for obo/owl hybrid workflows
  • 21. Human Phenotype Ontology is deployed using CI • HPO: ~10k classes • Logical definitions have dependencies on: – FMA; PATO; Uberon; GO; CL • Annotations – Link OMIM disorders to HPO classes • Validation – Oort and GULO • Uses Hudson rather than Jenkins Koehler S et al (2008) Improving ontologies by automatic reasoning and evaluation of logical definitions. BMC Bioinformatics 12(1)
  • 22. CI best practice: use a VCS • Ontologies are source code – Always use a version control system to manage your source code • Sorry, this is non-negotiable • CI server integration with VCSs is a great feature – Polling – Commit metadata coupled with builds • Downside of VCSs: – OWL syntaxes are almost always preferable to obo format, except • They suck with VCSs – spurious diffs • We’re working on a solution
  • 23. Future Enhancements • Migrate OBO-Edit verification checks to OWL API • Phase out perl and OBO-Format validation scripts and move to OWLAPI plus OPPL2 for scripting • Extend GO validation pipeline to include term enrichment gold standard sets – E.g. after ontology change does the p-value of angiogenesis change in the glioblastoma gene set? • (Example stolen from Erik Clarke’s talk)
  • 24. Availability • Oort: • http://code.google.com/p/owltools/wiki/OortIntro • OBO build server: • http://build.berkeleybop.org • You can request to have your ontology and custom build pipeline added – obo-admin@obofoundry.org • Easy to clone our config and set up your own server
  • 25. Conclusions • What works for software can work for ontologies – Ontology engineering should become more like Software engineering • Ontology re-use can be hard – A CI server is vital for staying integrated • Simple = good – Admin: Jenkins is easy to set up and maintain – Users: +1 • Successful for GO, HPO – Now being extended to other ontologies – May be a vital component in OBO Foundry infrastructure • CI will be integral as information systems evolve to depend more on ontologies
  • 26. Acknowledgments • Tanya Berardini, Rebecca Foulger, David Hill, Jane Lomax, Paola Roncaglia, Midori Harris, Ramona Walls, Laurel Cooper (beta testers) • Heiko Dietze (Oort) • Sebastian Bauer (HPO) • Seth Carbon, Amelia Ireland (Jenkins wrangling) • GO PIs • Jenkins

Hinweis der Redaktion

  1. Thera-25. Radiation therapy machine. The engineer had reused software from older models. These models had hardware interlocks that masked their software defects. Those hardware safeties had no way of reporting that they had been triggered, so there was no indication of the existence of faulty software commands.
  2. Continuous Integration is a software development practice where members of a team integrate their work frequently, usually each person integrates at least daily - leading to multiple integrations per day. Each integration is verified by an automated build (including test) to detect integration errors as quickly as possible. Many teams find that this approach leads to significantly reduced integration problems and allows a team to develop cohesive software more rapidly
  3. Client/server
  4. Client/server
  5. Magic 10 minutesExample:Commit build:Use EL reasoner over main ontology, plus external disjointness axioms. Basic structural checksCan be executed painlessly in client ODEFast, immediate feedback, BUT doesn’t catch all issuesIntegrated ontology buildBring in external ontologiesIntegrated system buildCheck consequences of commits against all gene associations
  6. User friendliness to the point of anthropomorhpization
  7. See Erik Clarke’s talk
  8. Recommended for anyone who uses ontologies
  9. Integration, once attained, is easily lost