D avid De Roure

1. The Newe-Science David De Roure Manchester Edition

2. The Semantic Grid Report 2001 e-Science is about global collaboration in key areas of science and the next generation of infrastructure that will enable it John Taylor There are a number of grid applications being developed and there is a whole raft of computer technologies that provide fragments of the necessary functionality. However there is currently a major gap between these endeavours and the vision of e-Science in which there is a high degree of easy-to-use and seamless automation and in which there are flexible collaborations and computations on a global scale. Us

3. Scientists Infrastructure Need something here

4. Grid Computing The Semantic Web The Semantic Grid Web Services Why Semantic Web? • Grid community talking about metadata and knowledge • Huge potential for Science • making data reusable, interlinked • making connections between decoupled content • generating new intelligence • Automation requires machine-processable descriptions

5. RDF… RDF… RDF…

6. Free the data! Free the services! Free the people! The Semantic Grid Grid The Semantic Web is an extension of the current Web in which information and services are given well-defined meaning, better enabling computers and people to work in cooperation Grid www.semanticgrid.org

7. My Chemistry Experiment Box of Chemists

8. Iconic CombeChem Picture Video Simulation Properties Analysis StructuresDatabase Diffractometer X-Raye-Lab Propertiese-Lab Grid Middleware www.combechem.org

9. Virtual Learning Environment Reprints Peer-Reviewed Journal & Conference Papers Technical Reports LocalWeb Preprints & Metadata Repositories Certified Experimental Results & Analyses The social process of science Undergraduate Students Digital Libraries scientists Graduate Students experimentation Data, Metadata Provenance WorkflowsOntologies

10. Publication at Source “Publication at Source” describes the need to capture data and its context from the outset and maintain a complete end-to-end connection between the laboratory bench and the intellectual chemical knowledge that is published as a result of the investigation The details of the origins of data are just as important to understanding as their actual values

11. Small ontology! Very big RDF Graph

12. CombeChemDistinctives • Usability and security matter! • It’s a Semantic DataGrid • Think Holistic – we’re working in the context of the Scholarly Knowledge Cycle • In the Wild – Integrating 3rd party data sources • Power of Provenance • Publish don’t warehouse • Bootstrap through existing practice • A little Semantics goes a long way

14. Between 19th October and23rd November 2007 I attended sixinternational meetings related to e-Science Grid 2007Scientific and Scholarly Workflowse-Social Science 2007W3C Open Grid ForumMicrosoft e-Science This is what I found

15. 1 Everyday researchers doing everyday research • Not just a specialist few doing heroic science with heroic infrastructure • Chemists are blogging the lab • Everyone is mashing up • Everday hardware – multicore machines and mobile devices

16. 2 A data-centric perspective, like researchers • Data is large, rich, complex and real-time • There is new value in data, through new digital artefacts and through metadata e.g. context, provenance, workflows • This isn’t “anti-computation” –design interaction around data

17. 3 Collaborative and participatory • The social process of science revisited in the digital age • Collaborative tools – blogsand Wikis • e-Science now focuseson publishing as well as consuming • Scholarly lifecycle perspective

18. 4 Benefitting from the scale of digital science activity to support science • This is new and powerful! • Community intelligence • Review • Usage informing recommendation • e.g. OpenWetWare • e.g. myExperiment

19. 5 Increasingly open • Preprints servers and institutional repositories • Open journals • Open access to data • Science Commons • Object Reuse & Exchange

20. 6 Better not Perfect • The technologies people are using are not perfect • They are better • They are easy to use • They are chosen by scientists

21. 7 Empowering researchers • The success stories come from the researchers who are fluent in use of new tools • Domain ICT experts are delivering the solutions • Anything that takes away autonomy will be resisted

22. 8 About pervasive computing • e-Science is about the intersection of the digital and physical worlds • Sensor networks • Mobile handheld devices

23. Onward and Upward • e-Science is now enabling researchers to do some completely new stuff! • As the individual pieces become easy to use, researchers can bring them together in new ways and ask new questions • “The next level” “Standing on theshoulders of giants” (Everyday researchers are giants too) www.w3.org/2007/Talks/www2007-AnsweringScientificQuestions-Ruttenberg.pdf

25. www.oreilly.com/pub/a/oreilly/tim/news/2005/09/30/what-is-web-20.htmlwww.oreilly.com/pub/a/oreilly/tim/news/2005/09/30/what-is-web-20.html Signs of the Times Web 2.0 patterns The Long Tail Data is the Next Intel Inside • Everyday researchers doing everyday research • A data-centric perspective, like researchers • Collaborative and participatory • Benefitting from the scale of digital science activity • Increasingly open • Better not Perfect • Empowering researchers • About pervasive computing Users add value Network effects by default Some Rights Reserved The Perpetual Beta Cooperate, don’t Control Software above the level of the single device

26. use Web 2.0 here HPC Grid Grid cloud

27. www.myexperiment.org

28. Recycling, Reuse, Repurposing • Paul writes workflows for identifying biological pathways implicated in resistance to Trypanosomiasis in cattle • Paul meets Jo. Jo is investigating Whipworm in mouse. • Jo reuses one of Paul’s workflow without change. • Jo identifies the biological pathways involved in sex dependence in the mouse model, believed to be involved in the ability of mice to expel the parasite. • Previously a manual two year study by Jo had failed to do this.

29. myExperiment.org is… myExperiment.org is... • “Facebook for Scientists” • A community social network. • A gateway to other publishing environments • A federated repository • A platform for launching workflows • Publishing self-describing Encapsulated myExperiment Objects • Mindful publication • Started March 2007 • Closed beta since July 2007 • Open beta November 2007

30. Virtual Learning Environment Reprints Peer-Reviewed Journal & Conference Papers Technical Reports LocalWeb Preprints & Metadata Repositories Certified Experimental Results & Analyses The social process of science 2.0 Undergraduate Students Digital Libraries scientists Graduate Students experimentation Data, Metadata Provenance WorkflowsOntologies

31. Take Homes 2.0 • e-Science is about doing new science • Think Web 2.0 coupling resources and Semantic Web coupling data • Users are not just consumers of infrastructure. Empower them. • Workflows make e-Science easier, and Web 2 makes workflows easier 

32. Contact David De Roure dder@ecs.soton.ac.uk Thanks Jeremy Frey, Simon Coles,Cameron Neylon, Savas Parastatides,Carole Goble and The myGrid Family