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E-Science: Achievements, Challenges and new Opportunities Fifth UK e-Science All Hands Meeting Malcolm Atkinson Director e-Science Institute & e-Science.

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Presentation on theme: "E-Science: Achievements, Challenges and new Opportunities Fifth UK e-Science All Hands Meeting Malcolm Atkinson Director e-Science Institute & e-Science."— Presentation transcript:

1 E-Science: Achievements, Challenges and new Opportunities Fifth UK e-Science All Hands Meeting Malcolm Atkinson Director e-Science Institute & e-Science Envoy www.nesc.ac.uk 19 th September 2006

2 Overview Celebrate Five Years of Success Three Great Strengths Established Welcome New Projects Opportunities Work together Shape e-Science & e-Infrastructure E-Science: Systematic Support for Collaborative Research Multi-disciplinary, Multi-Site & Multi-National All disciplines contribute & benefit Enabling wider engagement Building with advances in Computing Science

3 UK e-Science Success Thriving Community All disciplines & all Research Councils Industry & Academia Many universities & research institutes UK e-Science All Hands Meetings Productive collaboration

4 Essential Collaboration Collaboration Requires Commitment and Strategy A challenge to build and maintain We have done it repeatedly Can we capture and clone the recipes? Can we support it well for all research? New Patterns of Communication

5 6th September 20065 National Centre for e-Social Science Colchester University of Essex Lancaster Bristol Leeds University of Manchester Manchester Nottingham London Oxford Aberdeen +2 years

6 6th September 20066 Edinburgh +5 years

7 Collaboration Pioneer Professor Dan Atkins Director of the Office of Shared Cyberinfrastructure, NSF The NSF vision of Cyberinfrastructure supporting e-Research, e-learning and engagement 09:00 Wednesday

8 Archaeology & e-Science Professor Michael Fulford Archaeology, University of Reading Silchester Roman Town: the challenges, aspirations and experience of developing a VRE for Archaeology 9:45 Wednesday

9 UK e-Science Success Significant outputs from projects Research results Commercial impact Outreach and international influence

10 The NERC Success Professor Robert Gurney Director, Environmental Systems Science Centre, Reading The NERC e-Science experience On next!

11 6th September 200611 Predicting Climate Change Through Volunteer Computing University of Oxford Department of Atmospheric Physics climateprediction.net

12 climateprediction.net Users Worldwide >300,000 users total (90% MS Windows): >60,000 active ~17 million model-years simulated (as of September '06) ~180,000 completed simulations The world's largest climate modelling supercomputer! (NB: a black dot is one or more computers running climateprediction.net )

13 › Construct in silico experiments, find and adapt others, manage the experiment lifecycle › Taverna Workflow workbench › OGSA-DQP › Semantic Technologies › Williams-Beuren Syndrome, Grave’s Disease, Trypanosomiasis in cattle. › OMII-UK Node, GRIMOIRE Registry, Taverna Workflow workbench › 12000+ Downloads of Taverna › Wide transfer to BBSRC (e-Fungi, ISPIDER, ComparaGrid) & MRC projects (PsyGrid, CLEF, CLEFS) › Semantic Grid pioneer › WBS gene identification › Outstanding international links › Great deal of open source s/w › Links into BOSC & HGMP › KT to BT, ComparaGrid, OntoGrid, BBSRC Systems Biology Centre, MIASGrid, Rice Institute etc Carole Goble (Comp Sci, Manchester) 7 Universities and institutes (incl. EBI) 8 Companies Middleware for data intensive in silico biology by bioinformaticians In silico biology http://www.mygrid.org.uk

14 › Design, develop and implement an advanced infrastructure to support real-time processing, interpretation, integration, visualization and mining of vast amounts of time critical data generated by high throughput devices. › Data mining, text mining › Environmental monitoring, bioinformatics › InforSense, GSK, Oracle › 2003: Discovery Net in Action: Fighting SARS in China › 2002: Supercomputing 2002 Most Innovative Data Intensive Application Award › 2002: KDD CUP 2002 Scientific Text Mining Awards Yike Guo (Comp Sci, Imperial) 1 university http://www.discovery-on-the.net/ Using GRID Resources Scientific Information Scientific Discover y In Real Time Literatur e Datab ases Operational Data Images Instrument Data Real Time Data Integration Dynamic Application Integration Discovery Services Integrative Knowledge Management Service Workflow High Throughput Informatics

15 UK-China e-Science Workshop, China Workflow Warehousing and Semantic Authoring

16 Compute resources on- demand http://www.realitygrid.org/ SPICE HPC Analytics Challenge Award at SC2005 Awards in SC2003 and SC2005 Highlighting Usability Issues (& “lightweight” Grids) OGSA/OGSI/WSRF pioneer OMII components WSRF::Lite, GridSAM NGS User Biomolecular chemistry simulation, Computational steerage, Visualization and computation use via supercomputers accessed via Grid. › Three dimensional Lattice-Boltzmann simulations. › Closely coupling computation and experiment to speed up scientific discovery. › Data produced during a single large scale simulation can exceed hundreds of gigabytes to terabytes Peter Coveney (Chemistry, UCL) 3 Universities and institutes 6 Companies

17 DAME http://www.cs.york.ac.uk/dame/ › Aims to manage >1Tb per year of Aero Engine vibration and maintenance data. › Interlinks with search and reasoning services. › Defined and evaluated a distributed search system. › GSI enabled secure engine performance simulation › CBR advisor for diagnostic engineer › A data architecture defined based on Globus and SRB. › BROADEN DTI Project (£3.9M) › Spun out technology exploited through Cybula Ltd., Oxford Biosignals and DS&S. › Successful mid-term demonstrator well received by Rolls Royce › White Rose Grid: experience of building & using production Grids › In Grid Blue Print 2 edition 2 Jim Austin (Comp Sci, York) 4 Universities and institutes 3 Companies Aircraft healthcare diagnosis

18 GOLD › Start 1 st Feb 2004 › Fundamental technology supporting highly-dynamic virtual organisations throughout their entire lifecycle › Strong business focus › Speciality, agrochemical and pharmaceuticals sector › Security emphasis › OGSA-DAI › Building on my Grid Information Model Grid-Based Information Models to Support the Rapid Innovation of New High Value-Added Chemicals Allen Wright (Chem Eng, Newcastle) 3 Universities and institutes 6 Companies data analysis Phase 2 Pilot

19 Project Overview › Start 1 st Feb 2004 › Aims to build an Integrative Biology Grid to support applications scientists addressing the key post- genomic aim of determining biological function › Incorporation of Modelling groups from US, NZ and Europe › Using technologies from myGrid (LSIDs, workflows), RealityGrid (computational steerage and visualisation) and Geodise (Grid-enabled Matlab) › NGS user Dave Gavaghan (Comp Lab, Oxford) 10 Universities in UK, US and NZ IBM, CCLRC The in silico modelling of heart failure and of cancer. Phase 2 Pilot

20 UK e-Science Success Reliable e-Infrastructure 24*7 Foundations well established Extending in Function, Scale & Ubiquity NGS E-Science Centres Specialised support centres  AHRC Support @ Kings, Text Mining, 2*NERC centres, NCeSS Data Services OMII-UK E-Science Institute DCC JISC Virtual Research Environments JISC e-Framework

21 6th September 200621 Edinburgh Cardiff Bristol Lancaster Westminster National Grid Service and partners Edinburgh York Manchester Didcot CCLRC Rutherford Appleton Laboratory CCLRC Rutherford Appleton Laboratory +2.5 years

22

23 6th September 200623 NGS Use Files stored Users by institution CPU time by user Users by discipline biology Large facilities Eng. + Phys. Sci Env. Sci PP + Astronomy Medicine HumanitiesSociology ~400 users

24 6th September 200624 Applications: 2 Systems Biology Neutron Scattering Climate modelling Econometric analysis

25 JISC e-Infrastructure & Projects Professor Dave De Roure Head of Grid and Pervasive Computing in the School of Electronics and Computer Science, University of Southampton e-Research the JISC way 14:30 Thursday

26 6th September 200626 Oxford NeSC Belfast Cambridge Daresbury Manchester London Newcastle Southampton Cardiff e-Science Centres RAL Leicester London Birmingham York Bristol Lancaster Reading Centres of Excellence Access Grid Support Centre Access Grid Support Centre Other Centres Digital Curation Centre National Grid Service National Grid Service National Centre for e-Social Science National Centre for e-Social Science National Centre for Text Mining National Centre for Text Mining National Institute for Environmental e-Science National Institute for Environmental e-Science Open Middleware Infrastructure Institute Open Middleware Infrastructure Institute + ~2 years e-Science Centres in the UK Coordination & Leadership: NeSC & e-Science Directors’ Forum

27 6th September 200627 OMII-UK nodes Edinburgh EPCC & National e-Science Centre Manchester School of Computer Science University of Manchester School of Computer Science University of Manchester Southampton School of Electronics and Computer Science University of Southampton School of Electronics and Computer Science University of Southampton +3 years

28 6th September 200628 Software Provide guidance to the broad UK e-Science community Disseminate your e-Science software to a global community Support Software support and training in using e-Science software Provide collaborative mechanisms to support the community Define, contribute and disseminate best practice and standards Sustainability Provide a best of breed software solution Partner to provide a sustainable future. ‘software and support to enable a sustained future for the UK e-Science community and its international collaborators’

29 6th September 200629 Visit the OMII-UK stand… Tell us about the software you use or produce –Register it on the website and get a travel mug! Tell us about the e-Science you do now and what you would like to do in the future –Complete our on-line or paper survey See demonstrations of OMII-UK software –Job execution, scheduling and service discovery –Workflow between different data sources –Data querying, federation and transformation For more information see www.omii.ac.uk/AHM2006

30 6th September 200630 Digital Curation Centre and partners Glasgow Humanities Advanced Technology and Information Institute Bath UKOLN (formerly UK Office for Library Networking) Warrington Didcot Rutherford Appleton (Didcot) and Daresbury (Warrington) Laboratories Edinburgh Database Research Group, School of Informatics AHRC Research Centre for Studies in Intellectual Property and Technology Law EDINA National e-Science Centre Database Research Group, School of Informatics AHRC Research Centre for Studies in Intellectual Property and Technology Law EDINA National e-Science Centre +3 years?

31 a centre of expertise in data curation and preservation Digital Curation Centre Mission: “… support and promote continuing improvement in the quality of data curation…” Vision Centre of excellence in digital curation Authoritative source of advocacy & advice Key facilitator of informed research community Provider of range of resources, tools & services

32 a centre of expertise in data curation and preservation

33 Welcome New Projects Three EPSRC new projects CARMEN  Understanding the brain – £4.5m – led by Professor Colin Ingram, University of Newcastle upon Tyne NanoCMOSGrid  Designing nano-circuits – £5.2m – led by Professor Asen Asenov at Glasgow University PMESG (Pervasive Mobile Environmental Sensor Grids) project  Environmental impact of traffic  Jointly funded with the Department for Transport the Department for Transport  £3.5m – led by Professor John Polak at Imperial College

34 Slide 34 CARMEN - Scales of Integration resolving the ‘neural code’ from the timing of action potential activity determining ion channel contribution to the timing of action potentials examining integration within networks of differing dimensions Understanding the brain may be the greatest informatics challenge of the 21 st century

35 16 th March 2006 NanoCMOSgriD Meeting the Design Challenges of Nano-CMOS Electronics The Challenge 6th September 2006 Toshiba 04 Device diversification 90nm: HP, LOP, LSTP 45nm: UTB SOI 32nm: Double gate

36 Opportunities Shape Future e-Infrastructure Balance international & local requirements Embrace diversity & maintain consistency Integrate effort & resources Exploit e-Science methods To do new research Using e-Infrastructure Embed in Educational Programmes Creativity & energy of the young Engage Industry & Commerce

37 Vision for Future Science Dr Stephen Emmott Director European Science Programme, Microsoft Research Some brief notes on Science towards 2020 16:15 Wednesday

38 Start now Talk to new people Initiate new collaborations Enjoy talks & workshops Visit all the Booths See all the posters Win all the competitions in the closing ceremony

39 Thanks to: Those who made UK e-Science happen. Carole Goble, Neil Geddes, Steven Newhouse, Jo Newman & Chris Rusbridge for slides. Alison McCall & Carole Becker for pictures.


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