The UK e-Science Programme A View from the National e-Science Centre Malcolm Atkinson

1. The UK e-Science Programme A View from the National e-Science Centre Malcolm Atkinson Director of NeSCUniversities of Edinburgh and GlasgowCANARIE 7 Toronto 29th November 2001

2. Contents • What is e-Science? • What do we expect from the Grid? • The UK e-Science Programme • NeSC’s Role & Structure • The Road ahead

3. What is e-Science? • An acceleration of a trend? • A sea change in scientific method? • A new opportunity for science?

4. Accelerating Trend • More and More data • Instrument resolution doubling /12 months • Instrument and telemetry speeds increasing • Storage capacity doubling / 12 months • More and More Computation • Computations available doubling / 18 months • Analyses and simulations increasing • Faster networks • Raw bandwidth doubling / 9 months • These Integrate • More interplay between computation and data • More collaboration among scientists • More international collaboration

5. Sea Change in Scientific Method • In Silico discovery • Exploration of data and models predicts results • Verified by directed experiments • Combinatorial chemistry • Gene function • Protein Structure, … • Shared Resources • Researcher’s Workbench  • Laboratory team • Multi-national network of labs + modellers • Public instruments, repositories and simulations • Prior test against data and models • Experimental Procedures • Sanity check on results against data and models

6. But … • Skilled scientists and computer scientists • Roughly static in number • Diminishing in available attention for any task • Distributed systems remain hard • E.g. component failures and latency are always with us • Important data still in documents • More subjects experiencing the • Data deluge • Analysis avalanche • Simulation bonanza • Collaboration growth • Must therefore find general solutions • And make technology easier to use

7. The New Behaviour • Shared Infrastructure • Intrinsically distributed • Intrinsically multi-organisational • Multiple uses interwoven • Shared Software • A new attempt at making distributed computing economic, dependable and accessible • Scientists from all disciplines share in its design and use • Immediate benefit • Faster transfer of ideas and techniques between disciplines • Amortisation of development, operation and education

8. Not Just Scientists • Engineers • They already travel the same path • Finance, economy, politics, … • We can expect best use of data and models to guide the decisions that affect our lives • Medicine • See above • Industry • See above • The UK Office of Science & Technology • Has this extension firmly in mind

9. Several Assumptions • The Technology is Ready • Not true — its emerging • Joining in the task of building middleware • Of Advancing Standards • Of Developing Dependability • The Scientists / Engineers want this • Not universally true • Addressed by Pilot projects and Demonstrators • Addressed by The e-Science Institute • One Size Fits All • Not true • Addressed by a minimum set of composable virtual services • But starting with Globus • It’s only for “big” science • No — “small” science collaborates too! • We know how we will use grids • No — Disruptive technology

10. Contents • What is e-Science? • What do we expect from the Grid? • The UK e-Science Programme • NeSC’s Role & Structure • The Road ahead

11. From presentation by Tony Hey

12. UK e-Science Initiative (1) • £120M 3 Year Programme to create the next generation IT infrastructure to support e-Science and Business • SR2000 – Funded UK e-Science Grid and Grid Support Centre, e-Science Application research projects and industrial collaboration • SR2002 – Bidding for additional funding to extend scope of e-Science programme • Essential that UK plays a leading role in Global Grid development with the USA, EU and Asia From presentation by Tony Hey

13. UK e-Science Initiative (2) • £120M Programme over 3 years • £75M is for Grid Applications in all areas of science and engineering • £10M for Supercomputer upgrade • £35M for development of ‘industrial strength’ Grid middleware • Require £20M ‘matching’ funds from industry Prof. Tony Hey Director of the Core Programme From presentation by Tony Hey

14. UK Grid Network Edinburgh Glasgow Newcastle Belfast Manchester DL Cambridge Oxford Hinxton RAL Cardiff London Southampton From Tony Hey 27 July 01

15. SuperJanet4, June 2002 20Gbps Scotland via Glasgow Scotland via Edinburgh 10Gbps 2.5Gbps WorldCom Glasgow WorldCom Edinburgh 622Mbps NNW 155Mbps NorMAN YHMAN WorldCom Manchester WorldCom Leeds Northern Ireland EMMAN MidMAN WorldCom Reading WorldCom London EastNet TVN External Links WorldCom Bristol WorldCom Portsmouth South Wales MAN LMN SWAN& BWEMAN Kentish MAN LeNSE From presentation by Tony Hey

16. Access Grid Access Grid Nodes • Technology Developed by Rick Stevens’ group at Argonne National Laboratory • Access Grid will enable informal and formal group to group collaboration • Distributed lectures and seminars • Virtual meetings • Complex distributed grid demos • Uses MBONE and MultiCast Internet Technologies From presentation by Tony Hey

17. Grid Middleware R&D • £16M funding available for industrial collaborative projects • £11M allocated to Centres projects plus £5M for ‘Open Call’ projects - approved £0.5M ‘Centre’ project with Imperial College Sun Centre of Excellence • Set up two Task Forces - Database Task Force (Chaired by Norman Paton from Manchester Centre) - Architecture Task Force (Chaired by Malcolm Atkinson, Director of NeSC) From presentation by Tony Hey

18. IRC ‘Grand Challenge’ Project • Equator: Technological innovation in physical and digital life • AKT: Advanced Knowledge Technologies • DIRC: Dependability of Computer-Based Systems • MIAS: From Medical Images and Signals to Clinical Information From presentation by Tony Hey

19. e-Healthcare Grand Challenge • Funding £0.5M projects to give Grid dimension to these IRCs • Funding £2M Joint IRC projects with MIAS on e-Healthcare application Example: Breast cancer surgery – normalization of mammography and ultrasound scans • FE modelling of breast tissue • Deliver useful clinical information to surgeon ensuring privacy and security From presentation by Tony Hey

20. UK e-Science Projects • £75M for e-Science application ‘pilots’ - spans all sciences and engineering • Particle Physics and Astronomy (PPARC) - £20M GridPP and £6M AstroGrid • Engineering and Physical Sciences (EPSRC) - funding 6 projects at around £3M each • Biology, Medical and Environmental Science - projects with total value of £20M will be announced soon From presentation by Tony Hey

21. Particle Physics and Astronomy e-Science Projects • GridPP • links to EU DataGrid, CERN LHC Computing Project, US GriPhyN and PPDataGrid Projects, and iVDGL Global Grid Project • AstroGrid • links to EU AVO and US NVO projects From presentation by Tony Hey

22. EPSRC e-Science Projects (1) • Comb-e-Chem:Structure-Property Mapping • Southampton, Bristol, Roche, Pfizer, IBM • DAME: Distributed Aircraft Maintenance Environment • York, Oxford, Sheffield, Leeds, Rolls Royce • Reality Grid: A Tool for Investigating Condensed Matter and Materials • QMW, Manchester, Edinburgh, IC, Loughborough, Oxford, Schlumberger, … From presentation by Tony Hey

23. EPSRC e-Science Projects (2) • My Grid: Personalised Extensible Environments for Data Intensive in silico Experiments in Biology • Manchester, EBI, Southampton, Nottingham, Newcastle, Sheffield, GSK, Astra-Zeneca, IBM, Sun • GEODISE: Grid Enabled Optimisation and Design Search for Engineering • Southampton, Oxford, Manchester, BAE, Rolls Royce • Discovery Net: High Throughput Sensing Applications • Imperial College, Infosense, … From presentation by Tony Hey

24. Comb-e-Chem:Structure-Property Mapping • Goal is to integrate structure and property data sources within knowledge environment to find new chemical compounds with desirable properties - Accumulate, integrate and model extensive range of primary data from combinatorial methods - Support for provenance and automation including multimedia and metadata • Southampton, Bristol, Cambridge Crystallographic Data Centre, Roche Discovery, Pfizer, IBM From presentation by Tony Hey

25. MyGrid e-Science Workbench • Goal is to develop ‘workbench’ to support: • Experimental process of data accumulation • Use of community information • Scientific collaboration • Provide facilities for resource selection, data management and process enactment • Bioinformatics applications • Functional genomics, pattern database annotation • Manchester, EBI, Newcastle,Nottingham, Sheffield, Southampton • GSK, AstraZeneca, Merck, IBM, Sun, ... From presentation by Tony Hey

26. e-Science Demonstrators • Dynamic Brain Atlas • Biodiversity • Chemical Structures • Mouse Genes • Robotic Astronomy • Collaborative Visualisation • Climateprediction.com • Medical Imaging/VR From presentation by Tony Hey

27. Contents • What is e-Science? • What do we expect from the Grid? • The UK e-Science Programme • NeSC’s Role & Structure • The Road ahead

28. e-Science Centres Application Pilots IRCs … e-Scientists, Grid users, Grid services & Grid Developers NeSC GNT DBTF ATF TAG eSI CS Research GSC UK Core Directorate Global Grid Forum … NeSC’s context Coordination

29. NeSC’s Roles • Stimulation of Grid & e-Science Activity • Users, developers, researchers • Education, Training, Support • Think Tank & Research • Coordination of Grid & e-Science Activity • Regional Centres, Task Forces, Pilots & IRCs • Technical and Managerial Fora • Support for training, travel, participation • Developing a High-Profile e-Science Institute • Meetings • Visiting Researchers • International Collaboration • Regional Support • Portfolio of Industrial Research Projects

30. e-Science Institute • The Story so Far • August & September • 3 workshops week 1: DF1, GUM1 & DBAG1 • HEC2 and the Grid • preGGF3 & DF2 • October • Steve Tuecke Globus tutorial (oversubscribed) • 4-day workshop Getting Going with Globus (G3) • Reports on DataGrid & GridPP experience • Biologist Grid Users’ Meeting 1 (BiGUM1) • November • GridPP • Configuration management • December • Architecture & Strategy with Ian Foster et al. • AstroGrid

31. eSI Highlights cont. 2002 & 2003 • January • Steve Tuecke et al. 4 day Globus Developers’ Workshop • Pilot project workshop • February — closed for renovation • March • Digital Libraries, Librarians, Museums and the Grid • Protein folding Workshop 14th to 17th IBM sponsor • May • Mind and Brain Workshop 21st to 26th July GGF5 & HPDC 11 EICC • August Research Festival • 14th to 16thApril 2003 Dependability

32. Contents • What is e-Science? • What do we expect from the Grid? • The UK e-Science Programme • NeSC’s Role & Structure • The Road ahead

33. Where to Concentrate • International & Industrial Collaboration • Ideas, experiments, software, standards • Integrating Data across the Grid • Data growth demands new methods • Data ownership expects respect & security • Data is hard to scan — indexing & query • Data is hard to move — query & move code • Human attention is scarce but essential • Machine-assisted annotation, provenance, archiving • Machine-assisted data mining • Machine-assisted ontology construction & integration • Human-factors must drive designs • Dynamic, Dependable and Virtual Fabric • Improved Programming Models

34. For more Information • Ask me • www.nesc.ac.uk • director@nesc.ac.uk • Thank you for your attentionor for arriving early for the next talk 