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Collaboration and sharing
computational research methods
Carole Goble
University of Manchester, UK
carole.goble@manchester.ac.uk
Materials
     Scientific research is                            +
    generally held to be of
    good provenance when                           Methods
    it is documented in                                +
    detail sufficient to allow
    reproducibility.                               Results
                                                       =
http://en.wikipedia.org/wiki/Provenance#Science
                                                  Publication
In silico Experimental Standard Operating,
Procedures, Protocols, Plans




                        http://usefulchem.wikispaces.com/page/code/EXPLAN001
E. Science laboris: in silico experiments
                                            Automated, reusable scripted
                                            analysis pipelines - workflows

                                            Data processing , data chaining
                                            Data and tool integration
                                            Annotation pipelines
                                            Analytics
                                            Simulation steering and parameter sweeps
                                            Publication mining
                                            Model and hypothesis building
                                            Result Validation and comparison
                                            Data cleaning, curation and preservation

                                            Shield from clouds and
                                            clusters details.
  http://www.mygrid.org.uk/tools/taverna/
                                            Record provenance: steps,
                                            methods, results
Genetic variation in cattle species.
               Food security, biodiversity.
     Resistance to African trypanosomiasis infection
                   (sleeping sickness)
     Liverpool (Kemp), Manchester (Brass), Nairobi




Comparing new data with reference genomes, prior results
  and the literature to identifying interesting differences

                     22 million SNPs
Little Science +
 Big Science




http://www.genomics.liv.ac.uk/tryps/trypsindex.html
Bottom up Effectiveness in Research
 • Automated, repeatable, tracked plumbing
    – Using institutional and community computing
      infrastructures, tools and datasets
 • Easier access to best of breed and “surfing” results
    – non-developers access to sophisticated codes and
      applications, shielded from nasty computing details.
 • Leverage applications, services, datasets and codes
   shielded from computing details.
    – Honors original codes and applications. Heterogeneous
      coding styles and tools sets. The best applications.
 • Extensibility, adaptability & innovation.
    – My stuff. Variant design.
Reuse, Recycle, Repurpose, Mash, Trade, Publish
                                         Identify biological pathways implicated in
                                         resistance to Trypanosomiasis in cattle using
                                         mouse as a model organism.
                                         Fisher P, et al Nucleic Acids Research, 2007, 35(16) 5625-5633



   Dr Paul Fisher




                                                                                   Dr Jo Pennock


     Identify the biological pathways involved in
     sex dependence in the mouse
     model, believed to be involved in the ability
     of mice to expel the whipworm parasite.
      Levison S.E., et al Inflammatory Bowel Diseases (2010)
Global Long Tail
How do I find and share
   methods across the
institution, communities,
         the web ?

 How do I connect with
other authors and users?

How do I know if its any
 good or right for me?

  Who else is using it?

Where do I comment on
  my experiences?
http://www.myexperiment.org

• Socially share, discover, review and reuse
  workflows and other scientific methods.
• Cooperative market place.
• A scientific gateway.

• Commons-based Production + Social
  networking
• Primary contribution, reviewing and curating.
Find experts and
                                          peers, advice, work
                                          flows, packs

                                          Contribute, review
                                          and curate
                                          workflows

                                      Train and educate
Launch workflows   Cloud Methods Commons


                                  http://www.myexperiment.org
Facts and Figures: Boutique but Beautiful

• Public Service: 1325 workflows, 349 files, 138 packs, 4129 registered
  members, 235 groups, 56 different countries, ~ 3000 unique hits per
  month. Workflows viewed/downloaded many 1000s of times.

• Adopted by 19 workflow systems and integrated into workflow
  workbenches: Galaxy, Taverna
   – Biology, chemistry, image analysis, social science, astronomy, engineering,
     music…
   – Specialised clones in Music & NeuroScience.
   – Focus of research on workflow patterns and analytics.


• JISC funding since 2007
• (Other funding: Microsoft, EU, EPSRC, BBSRC)
Effectiveness and Open Collaboration
Open platform, off the shelf components, open
development, open linked data, Web 3.0 funky

                                 Google gadgets




 Application plugins

Linked Data Cloud
Workbench
                                            Gadgets
                                                                 Publishing
                   LogBook

                                                                 Images

       Software
                                                         Presentations

                                                         Literature

  Compute resources




  Backup and Archive                            Friends, colleagues, resources


[Duncan Hull]          Data (files, spreadsheets)
http://www.mygrid.org.uk


Workflow management system
Collaboration, acceleration and
transparency through Automated
Computation.


Social collaboration environments
(“e-Laboratories”)
Collaboration, acceleration and
transparency through Human
Computation
Institutional
             challenges

      Adoption of Reproducible Methods
     New Publishing and Learning Objects
Pre-and Post Publication Metadata Differentials
        Citation, Credit and Reputation
                 Curation Costs
Methods Matter   Science 2010



 Reproducible
  (or at least
 defendable)
   Research

  many eyes
Virtual Learning
 Actionable scholarly                            Environment

 publishing &                                                                   Undergraduate
                                                                                Students
 learning
       Digital
      Libraries                            scientists
                                                                   Graduate
                                                                   Students


             Reprints


   Peer-
 Reviewed                   Technical
                                        experimentation
 Journal &
Conference        Preprints Reports
                     &
  Papers
                  Metadata




                             Local
                             Web                               Data, Metadata
        Repositories                                            Provenance
                                              Certified
                                           Experimental         Workflows
                                         Results & Analyses     Ontologies
[De Roure]
Actionable Compound
Research Objects
Data and Method
burial
Supplementary
information
Text mining
The rise of the
Wiki
Competitive advantage.
Trust




                                                               Rewards
                                           Adoption.
                                             Credit.
                                              Help.
                                             Fame.
                                          Reputation.

                                         Being scooped.




                                                               Risks
                                             Scrutiny.
                                        Misinterpretation.
                                               Cost.
                                              Blame.
                                           Reputation.
Nature 461, 145 (10 September 2009)
Sharing Governance ….
“Its not ready yet”
“I need to get (another) publication first”
“We don’t have the resources or skills to prepare
it for others, esp. now we finished that project”
“Others won’t use it properly.”     “Its not worth
                                    my while”
“Its faster/easier to do it myself, and will get
the credit/control too”
“Its not described enough to be usable”
“I don’t trust the quality. Its not reliable enough. Its
too noisy.
Provenance   Credit & Reputation   Quality & Reassurance
Crowd
    Contribution

    Credit
    Reward
    Career
    Use Profiles
    Citation

    Method
    Building too.
Nature 2008
Credit and Reputation                       Community building
T Shirts are not enough



                        Coordination

                    Governance
                 QUALITY for REUSE

                        Sustainability
 Software



                                         Social & Cultural
                  Automation
Public Service
                            Open Software
                            Community generated
                            and curated Content
                            Dig Library/Repository
                            Social network
                            Collaboration platform
Computer science research
Software engineering
                            Teaching aid
Computational researchers   Methodology
Researchers
Social Science              Social experiment
Free like puppies
Take Home: Methods Matter.
• Workflows are a transformative mechanism of
  connecting tools and encoding know-how
   – Scientists stand on the shoulders of resource experts
• myExperiment is a example of a collaborative
  environment for connecting workflow authors and users
   – Authors stand on the shoulders of each other
• The Power of Collectivism.
• Rewards and risks of researchers in competitive research.
• Cultural shift in reward, adoption and support for
  building, sharing and curating computational methods.
Acknowledgements
myExperiment Director: David De Roure

Developers                              Users                   Sponsors
•   Jiten Bhagat                        •   Katy Wolstencroft   •   Savas Parastatidis
•   Don Cruickshank                     •   Paul Fisher         •   Roger Barga
•   Danius Michaelides                  •   Duncan Hull         •   Derick Campbell
•   David Newman                        •   Franck Tanoh        •   Tony Hey
•   Sergejs Aleksejevs                  •   Andrea Wiggins
•   Mark Borkum                         •   Marco Roos
•   Matt Lee                            •   Jerzy Orlowski
•   Tom Foster                          •   Olga Krebs
                                        •   Wolfgang Mueller
Allied, Contributing Projects           •   Tony Linde
•    Thomas Laurent
•    Eric Nzuobontane                   Social Scientists
•    Ian Dunlop                         •    Yuiwei Lin
•    Stuart Owen                        •    Rob Proctor
•    Shoaib Sufi                        •    Meik Poschen
•    Sean Bechhofer                     •    Jonathan Foster
•    Rodrigo Lopez
•    Steve Pettifer
•    Mannie Tags
•    Finn Bacall
•    Sarah Thew
•    Matt Gamble
•    Tim Clark
Contact
      David De Roure
    dder@ecs.soton.ac.uk

       Carole Goble
carole.goble@manchester.ac.uk
  Visit myexperiment.org

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Collaboration and Sharing

  • 1. Collaboration and sharing computational research methods Carole Goble University of Manchester, UK carole.goble@manchester.ac.uk
  • 2. Materials Scientific research is + generally held to be of good provenance when Methods it is documented in + detail sufficient to allow reproducibility. Results = http://en.wikipedia.org/wiki/Provenance#Science Publication
  • 3. In silico Experimental Standard Operating, Procedures, Protocols, Plans http://usefulchem.wikispaces.com/page/code/EXPLAN001
  • 4. E. Science laboris: in silico experiments Automated, reusable scripted analysis pipelines - workflows Data processing , data chaining Data and tool integration Annotation pipelines Analytics Simulation steering and parameter sweeps Publication mining Model and hypothesis building Result Validation and comparison Data cleaning, curation and preservation Shield from clouds and clusters details. http://www.mygrid.org.uk/tools/taverna/ Record provenance: steps, methods, results
  • 5. Genetic variation in cattle species. Food security, biodiversity. Resistance to African trypanosomiasis infection (sleeping sickness) Liverpool (Kemp), Manchester (Brass), Nairobi Comparing new data with reference genomes, prior results and the literature to identifying interesting differences 22 million SNPs
  • 6. Little Science + Big Science http://www.genomics.liv.ac.uk/tryps/trypsindex.html
  • 7. Bottom up Effectiveness in Research • Automated, repeatable, tracked plumbing – Using institutional and community computing infrastructures, tools and datasets • Easier access to best of breed and “surfing” results – non-developers access to sophisticated codes and applications, shielded from nasty computing details. • Leverage applications, services, datasets and codes shielded from computing details. – Honors original codes and applications. Heterogeneous coding styles and tools sets. The best applications. • Extensibility, adaptability & innovation. – My stuff. Variant design.
  • 8. Reuse, Recycle, Repurpose, Mash, Trade, Publish Identify biological pathways implicated in resistance to Trypanosomiasis in cattle using mouse as a model organism. Fisher P, et al Nucleic Acids Research, 2007, 35(16) 5625-5633 Dr Paul Fisher Dr Jo Pennock Identify the biological pathways involved in sex dependence in the mouse model, believed to be involved in the ability of mice to expel the whipworm parasite. Levison S.E., et al Inflammatory Bowel Diseases (2010)
  • 10. How do I find and share methods across the institution, communities, the web ? How do I connect with other authors and users? How do I know if its any good or right for me? Who else is using it? Where do I comment on my experiences?
  • 11. http://www.myexperiment.org • Socially share, discover, review and reuse workflows and other scientific methods. • Cooperative market place. • A scientific gateway. • Commons-based Production + Social networking • Primary contribution, reviewing and curating.
  • 12. Find experts and peers, advice, work flows, packs Contribute, review and curate workflows Train and educate Launch workflows Cloud Methods Commons http://www.myexperiment.org
  • 13. Facts and Figures: Boutique but Beautiful • Public Service: 1325 workflows, 349 files, 138 packs, 4129 registered members, 235 groups, 56 different countries, ~ 3000 unique hits per month. Workflows viewed/downloaded many 1000s of times. • Adopted by 19 workflow systems and integrated into workflow workbenches: Galaxy, Taverna – Biology, chemistry, image analysis, social science, astronomy, engineering, music… – Specialised clones in Music & NeuroScience. – Focus of research on workflow patterns and analytics. • JISC funding since 2007 • (Other funding: Microsoft, EU, EPSRC, BBSRC)
  • 14. Effectiveness and Open Collaboration Open platform, off the shelf components, open development, open linked data, Web 3.0 funky Google gadgets Application plugins Linked Data Cloud
  • 15. Workbench Gadgets Publishing LogBook Images Software Presentations Literature Compute resources Backup and Archive Friends, colleagues, resources [Duncan Hull] Data (files, spreadsheets)
  • 16. http://www.mygrid.org.uk Workflow management system Collaboration, acceleration and transparency through Automated Computation. Social collaboration environments (“e-Laboratories”) Collaboration, acceleration and transparency through Human Computation
  • 17. Institutional challenges Adoption of Reproducible Methods New Publishing and Learning Objects Pre-and Post Publication Metadata Differentials Citation, Credit and Reputation Curation Costs
  • 18. Methods Matter Science 2010 Reproducible (or at least defendable) Research many eyes
  • 19. Virtual Learning Actionable scholarly Environment publishing & Undergraduate Students learning Digital Libraries scientists Graduate Students Reprints Peer- Reviewed Technical experimentation Journal & Conference Preprints Reports & Papers Metadata Local Web Data, Metadata Repositories Provenance Certified Experimental Workflows Results & Analyses Ontologies [De Roure]
  • 22. Competitive advantage. Trust Rewards Adoption. Credit. Help. Fame. Reputation. Being scooped. Risks Scrutiny. Misinterpretation. Cost. Blame. Reputation. Nature 461, 145 (10 September 2009)
  • 23. Sharing Governance …. “Its not ready yet” “I need to get (another) publication first” “We don’t have the resources or skills to prepare it for others, esp. now we finished that project” “Others won’t use it properly.” “Its not worth my while” “Its faster/easier to do it myself, and will get the credit/control too” “Its not described enough to be usable” “I don’t trust the quality. Its not reliable enough. Its too noisy.
  • 24. Provenance Credit & Reputation Quality & Reassurance
  • 25. Crowd Contribution Credit Reward Career Use Profiles Citation Method Building too. Nature 2008
  • 26. Credit and Reputation Community building T Shirts are not enough Coordination Governance QUALITY for REUSE Sustainability Software Social & Cultural Automation
  • 27. Public Service Open Software Community generated and curated Content Dig Library/Repository Social network Collaboration platform Computer science research Software engineering Teaching aid Computational researchers Methodology Researchers Social Science Social experiment
  • 29. Take Home: Methods Matter. • Workflows are a transformative mechanism of connecting tools and encoding know-how – Scientists stand on the shoulders of resource experts • myExperiment is a example of a collaborative environment for connecting workflow authors and users – Authors stand on the shoulders of each other • The Power of Collectivism. • Rewards and risks of researchers in competitive research. • Cultural shift in reward, adoption and support for building, sharing and curating computational methods.
  • 30. Acknowledgements myExperiment Director: David De Roure Developers Users Sponsors • Jiten Bhagat • Katy Wolstencroft • Savas Parastatidis • Don Cruickshank • Paul Fisher • Roger Barga • Danius Michaelides • Duncan Hull • Derick Campbell • David Newman • Franck Tanoh • Tony Hey • Sergejs Aleksejevs • Andrea Wiggins • Mark Borkum • Marco Roos • Matt Lee • Jerzy Orlowski • Tom Foster • Olga Krebs • Wolfgang Mueller Allied, Contributing Projects • Tony Linde • Thomas Laurent • Eric Nzuobontane Social Scientists • Ian Dunlop • Yuiwei Lin • Stuart Owen • Rob Proctor • Shoaib Sufi • Meik Poschen • Sean Bechhofer • Jonathan Foster • Rodrigo Lopez • Steve Pettifer • Mannie Tags • Finn Bacall • Sarah Thew • Matt Gamble • Tim Clark
  • 31. Contact David De Roure dder@ecs.soton.ac.uk Carole Goble carole.goble@manchester.ac.uk Visit myexperiment.org