The UK e-Science Programme A View from the National e-Science Centre Malcolm Atkinson Director of NeSC Universities of Edinburgh and Glasgow CANARIE 7 Toronto 29 th November 2001

Contents What is e-Science? What do we expect from the Grid? The UK e-Science Programme NeSCs Role & Structure The Road ahead

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

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

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 Researchers Workbench Laboratory team Multi-national network of labs + modellers Public instruments, repositories and simulations 1. Prior test against data and models 2. Experimental Procedures 3. Sanity check on results against data and models

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

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

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

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 Its only for big science No small science collaborates too! We know how we will use grids No Disruptive technology

Contents What is e-Science? What do we expect from the Grid? The UK e-Science Programme NeSCs Role & Structure The Road ahead

From presentation by Tony Hey

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

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

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

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

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 Access Grid From presentation by Tony Hey

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

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 IRC Grand Challenge Project From presentation by Tony Hey

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

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

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

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, … EPSRC e-Science Projects (1) From presentation by Tony Hey

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

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

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

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

Contents What is e-Science? What do we expect from the Grid? The UK e-Science Programme NeSCs Role & Structure The Road ahead

NeSCs context NeSC eSI GSC Application PilotsIRCs …e-Science Centres e-Scientists, Grid users, Grid services & Grid Developers UK Core DirectorateGlobal Grid Forum … CS Research TAG DBTF ATF GNT Coordination

NeSCs 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

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

eSI Highlights cont & 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 14 th to 17 th IBM sponsor May Mind and Brain Workshop 21 st to 26 th July GGF5 & HPDC 11 EICC August Research Festival 14 th to 16 th April 2003 Dependability

Contents What is e-Science? What do we expect from the Grid? The UK e-Science Programme NeSCs Role & Structure The Road ahead

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

For more Information Ask me Thank you for your attention or for arriving early for the next talk