Scottish e-Science Forum, The UK e-Science Programme and NeSC - Microsoft PowerPoint

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The UK e-Science Programme The National
e-Science Centre Malcolm Atkinson Director of
NeSCUniversities of Edinburgh and
GlasgowScottish Regional Forum 17th January
2002
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Contents

• What is e-Science?
• What do we expect from the Grid?
• Some examples of e-Science projects
• The UK e-Science Programme
• NeSCs Role Structure
• e-Science Institute
• The Road ahead

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What is e-Science?

• An acceleration of a trend?
• A sea change in scientific method?
• A new opportunity for science?

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Accelerating Trend

• More and More data
• Instrument resolution doubling /12 months
• Instrument and telemetry speeds increasing
• Storage capacity doubling / 12 months
• Number of data sources doubling / ?? months
• More and More Computation
• Computations available doubling / 18 months
• Analyses and simulations increasing
• Faster networks
• Raw bandwidth doubling / 9 months
• These Integrate and Enable
• More interplay between computation and data
• More collaboration among scientists, medics,
  engin.
• More international collaboration

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Sea Change

• 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
• Floods of (public) data diversity
• More than can be used by human inspection
• Gene sequence doubling / 9 months ?
• Searches required doubles / 4.5 months
• Prior test against data and models
• Experimental Procedures
• Sanity check on results against data and models

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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

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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
• Shared Automated System Administration
• Replicated farms of replicated systems
• Autonomic management
• Immediate benefit
• Faster transfer of ideas and techniques between
  disciplines
• Amortisation of development, operation and
  education

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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
• e.g. home climate simulation may moderate
  greenhouse gas emissions
• Medicine
• See above
• Industry Commerce
• See above
• The UK Office of Science Technology
• Has these extensions firmly in mind
• So have twelve computing S/W companies
• Signed agreements with GGF

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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

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Online Access to Scientific Instruments
Advanced Photon Source
wide-area dissemination
desktop VR clients with shared controls
real-time collection
archival storage
tomographic reconstruction
DOE X-ray grand challenge ANL, USC/ISI, NIST,
U.Chicago
From Steve Tuecke 12 Oct. 01
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Supernova Cosmology Requires Complex,Widely
Distributed Workflow Management
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Mathematicians Solve NUG30

• Looking for the solution to the NUG30 quadratic
  assignment problem
• An informal collaboration of mathematicians and
  computer scientists
• Condor-G delivered 3.46E8 CPU seconds in 7 days
  (peak 1009 processors) in U.S. and Italy (8 sites)

14,5,28,24,1,3,16,15, 10,9,21,2,4,29,25,22, 13,26,
17,30,6,20,19, 8,18,7,27,12,11,23
MetaNEOS Argonne, Iowa, Northwestern, Wisconsin
From Miron Livny 7 Aug. 01
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Network for EarthquakeEngineering Simulation

• NEESgrid national infrastructure to couple
  earthquake engineers with experimental
  facilities, databases, computers, each other
• On-demand access to experiments, data streams,
  computing, archives, collaboration

NEESgrid Argonne, Michigan, NCSA, UIUC, USC
From Steve Tuecke 12 Oct. 01
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Home ComputersEvaluate AIDS Drugs

• Community
• 1000s of home computer users
• Philanthropic computing vendor (Entropia)
• Research group (Scripps)
• Common goal advance AIDS research

From Steve Tuecke 12 Oct. 01
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UK e-Science
From presentation by Tony Hey
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e-Science Programme
DG Research Councils
Grid TAG
E-Science Steering Committee
Director
Directors Management Role
Directors Awareness and Co-ordination Role
Generic Challenges EPSRC (15m), DTI (15m)
Academic Application Support Programme Research
Councils (74m), DTI (5m) PPARC (26m) BBSRC
(8m) MRC (8m) NERC (7m) ESRC (3m) EPSRC
(17m) CLRC (5m)
80m Collaborative projects
Industrial Collaboration (40m)
From Tony Hey 27 July 01
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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
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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
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UK Grid Network
Edinburgh
Glasgow
Newcastle
Belfast
Manchester
DL
Cambridge
Oxford
Hinxton
RAL
Cardiff
London
Southampton
From Tony Hey 27 July 01
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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
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Access Grid Nodes
Access Grid

• 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
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Grid Middleware RD

• 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
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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
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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
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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
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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
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EPSRC e-Science Projects (1)

• Comb-e-ChemStructure-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
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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
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Comb-e-ChemStructure-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
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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
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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
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Contents

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

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NeSCs context
Coordination
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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

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NeSC The Team

• Director
• Malcolm Atkinson (Universities of Glasgow
  Edinburgh)
• Deputy Director
• Arthur Trew (Director EPCC)
• Commercial Director
• Mark Parsons (EPCC)
• Regional Director
• Stuart Anderson (Edinburgh Informatics)
• Chairman
• Richard Kenway (Edinburgh Physics Astronomy)
• Initial Board Members
• Muffy Calder (Glasgow Computing Science)
• Tony Doyle (Glasgow Physics Astronomy)
• Centre Manager
• Anna Kenway
• Conference Manager
• Andrea Grainger

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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
• DIRC meeting
• 625 participants, 107 organisations, so far

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eSI Highlights cont.

• 2002
• January
• Regional meeting
• Steve Tuecke et al. 4 day Globus Developers
  Workshop
• Pilot project workshop
• Grid Portals Problem Solving Environments
  Workshop
• February closed for renovation
• March
• Protein folding Workshop 14th to 17th IBM
  sponsor
• April
• XML, XML Schema, Web Services Tutorials
• Getting OGSA Going Workshop
• Managing Grid Software Projects Advanced
  Tutorials
• Digital Libraries, Librarians, Museums and the
  Grid
• May
• Mind and Brain Workshop

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eSI continued

• 21st to 26th July 2002GGF5 HPDC 11 EICC
• August Research Festival ?
• 14th to 16th April 2003 Dependability

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Suggestions Please

• e-Science Institute
• Welcomes suggestions and organisers
• Any topic related to e-Science
• How your subject may use e-Science
• How your technology may benefit e-Science
• Any format
• Tutorial, advanced tutorial, workshop,
  scientific meeting
• We can give
• travel, organisation, accommodation support
• This building renovated!
• Mail director_at_nesc.ac.uk

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Contents

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

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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

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For more Information

• Ask me
• www.nesc.ac.uk
• director_at_nesc.ac.uk
• Thank you for your attentionor for arriving
  early for the next talk ?