Funding Sources for Academic Research Nearly all academic

Funding Sources for Academic Research Nearly all academic research in the UK is funded by the government through Research Councils. There are 6 Research Councils in total: EPSRC – Engineering and Physical Sciences Research Council NERC – Natural Environment Research Council PPARC – Particle Physics and Astronomy Research Council BBSRC – Biotechnology and Biological Science Research Council ESRC – Economic and Social Research Council MRC – Medical Research Council And: CCLRC – Council for the Central Laboratory of the Research Councils

The UK e-Science Programme Kerstin Kleese van Dam (For Tony Hey Director of UK e-Science Core Programme Tony. Hey@epsrc. ac. uk)

e-Science and the Grid ‘e-Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it. ’ John Taylor Director General of Research Councils Office of Science and Technology

GRID Vision Computing resources Instruments Complex problem Data Knowledge GRID Solution People

The Grid as an Enabler for Virtual Organisations Ø Ian Foster, Carl Kesselman and Steve Tueke • ‘The Grid is a software infrastructure that enables flexible, secure, coordinated resource sharing among dynamic collections of individuals, institutions and resources’ • includes computational systems and data storage resources and specialized facilities • Enabling infrastructure for transient ‘Virtual Organisations’

UK e-Science Initiative: First Phase • £ 120 M Programme over 3 years from April 2001 • £ 75 M is for Grid Applications in all areas of science and engineering • £ 10 M as first installment for UK HPC(X) • £ 35 M ‘Core Program’ to encourage development of generic ‘industrial strength’ Grid middleware Ø Require £ 20 M additional ‘matching’ funds from industry

UK e-Science Programme Director’s Awareness and Co-ordination Role Pilot Application Programme PPARC (£ 26 M) BBsrc (£ 8 M) MRC (£ 8 M) NERC (£ 7 M) Esrc (£ 3 M) EPsrc (£ 17 M) CLRC (£ 5 M) Research Councils (£ 74 M) Director’s Management Role Generic Challenges EPsrc (£ 15 M), DTI (£ 20 M) Collaborative projects Industrial Collaboration (£ 20 M) Technical Advisory Group

UK e-Science Management DGRC/CERCs e-Science Steering Committee Research Councils e-Science Directors Relevant National/ International bodies: e. g. JISC, CERN CEO/EPsrc Director e-Science Core Programme e-Science Support Based at EPsrc and at DTI Technical Advisory Group Core Programme Project Teams

Excerpt from e-Science CP Director’s job objectives ‘Develop effective collaborative Core Programme projects between the science base, industry and national funding agencies, and ensure the application and outcomes from the projects. ’

UK e-Science Projects £ 75 M for e-Science Grid Application ‘pilots’ - spanning all sciences and engineering Ø Particle Physics and Astronomy (PPARC) - £ 17 M Grid. PP and £ 5 M Astro. Grid Ø Engineering and Physical Sciences (EPSRC) - funding 6 projects at around £ 3 M each Ø Biology, Medical and Environmental Science - funding projects with total value of £ 23 M

UK Grid Projects: First Phase (1) Particle Physics and Astronomy (PPARC) • GRIDPP • ASTROGRID Engineering and Physical Sciences (EPsrc) • Comb-e-Chem • Discovery. Net • GEODISE • my. Grid • Reality. Grid

Comb-e-Chem Project Video Simulation Diffractometer Properties Analysis Structures Database X-Ray e-Lab Properties e-Lab Grid Middleware

GEODISE Project

Computational science • Molecular dynamics • Mesoscale modelling • High throughput experiments • High performance visualization • Computational steering • Terascale parallel computing

my. Grid Project • Imminent ‘deluge’ of data • Highly heterogeneous • Highly complex and inter-related • Convergence of data and literature archives

Discovery Net Project In Real Time Scientific Information Scientific Discovery Real Time Integration Workflow Construction Literature Databases Operational Data Dynamic Application Integration Interactive Visual Analysis Using Distributed Resources Images Instrument Data

How It Works Interactive Editor & Visualisation Nucleotide Annotation Workflows Download sequence from Reference Server Inter Pro SMART KEGG EMBL NCBI SWISS PROT TIGR SNP Save to Distributed Annotation Server GO Ø 1800 clicks Ø 500 Web access Ø 200 copy/paste Ø 3 weeks work in 1 workflow and few second execution Execute distributed annotation workflow

UK Grid Projects: First Phase (2) Natural Environment Applications (NERC) • Climateprediction. com • Oceanographic Grid • Molecular Environmental Grid • NERC Data. Grid (with CP) Biotechnology and Biological Sciences (BBsrc) • Biomolecular Grid • Proteome Annotation Pipeline • High-Throughput Structural Biology • Global Biodiversity

Bio. Sim GRID 1 st Level Metadata – Describing the Simulation Data… York Nottingham 2 nd Level Metadata – Describing the Results of Generic Analyses… Birmingham Oxford RAL distributed ‘raw’ data London … Southampton Structure of the proposed biosimulation database A biosimulation GRID for the UK

Integrating Different Levels of Simulation molecular cellular organism Sansom et al. (2000) Trends Biochem. Sci. 25: 368 u An e-science challenge – non-trivial u NASA IPG as a possible paradigm u Need to integrate rigorously if to deliver accurate & hence biomedically useful results Noble (2002) Nature Rev. Mol. Cell. Biol. 3: 460

UK Grid Projects: First Phase (3) Medical Applications (MRC) • Biology of Ageing (with BBsrc) • Sequence and Structure Data • Molecular Genetics • Cancer Management (with PPARC) • Clinical e-Science Framework • Neuroinformatics Modeling Tools

CLEF - Clinical e-Science Framework Partners: • Astra. Zeneca, GSK, BMJ Publishing Group • CSW Informatics, i. Soft plc, Sun Microsystems Limited • UK National Health Service – – NHS Information Authority Stakeholder Relations Camden & Islington Health Authority Central Manchester and Manchester Childrens' Health Authority Royal Brompton and Harefield NHS Trust • Universities of Cambridge, Manchester, Freiburg and University College London

CLEF - Integrating information • High quality, integrated clinical information is key to: – clinical research – evidence-based health care – the clinical application of genetic and genomic research • Capture, integration, and presentation of descriptive information is a major barrier to achieving an integrated framework • Data includes: – – clinical histories radiology and pathology reports annotations on genomic and image databases technical literature and Web based resources

e-Science and Grid Middleware ‘e-Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it. ’ John Taylor Ø Requirements of e-Science Grid Application Projects determine services required by Grid middleware Ø UK Projects focus more on Grid Data Services than Teraflop/s HPC systems

e-Science Core Program: First Phase Ø £ 15 M OST + £ 20 M DTI + £ 20 M Industry 1. Network of e-Science Centres Ø UK e-Science Grid 2. Support for e-Science Applications 3. Grid Network Issues 4. Generic/Industrial Grid Middleware 5. e-Health Grid ‘Grand Challenges’ 6. Outreach/International Activities

UK e-Science Grid Edinburgh Glasgow Newcastle Belfast Manchester DL Cambridge Oxford Cardiff RAL London Southampton Hinxton

UK e-Science Grid • All e-Science Centres donating resources plus four dedicated compute/data clusters – Supercomputers, clusters, storage, facilities • All Centres run same Grid Software – Starting point is Globus 2 and Condor: Storage Resource Broker (SRB) • Standard Grid middleware supported – e-Science Grid now at ‘Level 2’: moving towards production Grid with real users

Access Grid – Group Conferencing Multi-site group-to-group conferencing system Continuous audio and video contact with all participants Globally deployed All UK e-Science Centres have AG rooms Widely used for technical and management meetings

Support for e-Science Projects • Grid Support Centre in operation – supported Grid middleware & users – see www. grid-support. ac. uk • National e-Science Institute – Research Seminars – Training Programme – See www. nesc. ac. uk • National Certificate Authority – Issue digital certificates for projects – Goal is ‘single sign-on'

Anatomy of a Digital Certificate Public Key ABCDEFGHIJKLMNOPQRSTUV A text string Validity Data Signature from CA’s private key Extensions

How a certificate is issued • The Registration Authority (RA) approves a request for a certificate. The RA is local to the users. • The CA then issues the corresponding certificate.

How does it work? 1. Scientist wishes to access a resource, so he sends a copy of the certificate to the resource 2. Resource says: prove it’s your certificate Private Key 3. Scientist proves that he has the corresponding private key 4. Resource is convinced that scientist is who he claims to be and decides to give him access Challenge Response

UK CA Statistics, February 2003 • • • 250 valid certificates issued 24 RAs (more waiting for approval/training etc) Issuing 60 certificates /month Adding 3 RAs / month Adding 6 RA operators /month UK certificates recognized by EU and US projects

Grid Network Team • Expert group to identify end-to-end network bottlenecks and other network issues - e. g. problems with multicast for Access Grid • Identify e-Science project requirements • Funding (with PPARC and EPSRC) a number of network Qo. S, scheduling and monitoring projects • ‘UKLight’ lambda connection to Chicago and Amsterdam now approved

UK Backbone Infrastructure • Based on Super. JANET 4 academic network run by UKERNA for JISC • World. Com(!) providing national backbone for SJ 4 – now at 20 Gbps • Connections to universities via MANs at up to 2. 5 Gbps • ‘Last mile’ problem? • Research network use versus teaching, websearching, email – differential services?

Super. JANET 4

Access Grid Multicast One source sending same data to 3 receivers only has to have one copy of data (more copies are made only when necessary)

Networking Research Projects GRID Infrastructure GRS, GRID resource management ‘ Future. GRID, P 2 P architecture Service Infrastructure Network Infrastructure Grid. Mcast, Multicastenabled data distribution MB-NG, Qo. S Features GRIDprobe, backbone passive monitoring at 10 Gbps

CP Collaborative Industrial Projects: First Phase • • • 9 Centres with ring-fenced allocations £ 11 M CP + £ 11 M Industry funding £ 5 M Open Call Projects All First Phase funds now committed Over 60 Companies involved

CP Centre Projects 6 projects Ce. SC, 4 Oe. SC 5 NERe. SC 4 Ne. SC), 5 Se. SC 2 Le. SC 5 We. SC 7 e. SNW 5 Be. SC ØTotal of 43 projects § 68 different companies §Range of disciplines (IT, Engineering, Pharma, Environmental etc) §New sectors engaged (broadcasting, defence, banking etc) §Industrial Funds more than match DTI funds §All Centres have spent money allocated or have projects under consideration

CP Open Call Projects §Visualization Middleware for e-Science §e-Science Technologies in the Simulation of Complex Materials §Performance-based Middleware for Grid Computing §A scalable monitoring platform for the GRID (Grid. Probe) §e. Diamond distributed mammographic archive §End-to-End traffic management services §Information e. Xtraction from Images (IXI) §Deductive Synthesis Techniques to the Rapid Assembly of Grid Applications §Trustworthy GRID Resource Management §A Grid-based approach to the validation and testing of lubrication models §Self-Organising GRID Resource Management §Jigsaw: Distributed and dynamic visualisation generation §Future. GRID: a program for long-term research into GRID systems architecture ØTotal of 13 projects

OGSA – DAI Project • Design Specification completed – Papers for GGF WG on Database Access and Integration Services • Three Prototypes delivered: – Distributed Query Service – XML Database Interface – Relational Database Interface • Alpha versions delivered January 2003 – Integrate with Globus GT 3

Open Grid Services Architecture • Development of Web Services • OGSA will provide Naming /Authorization / Security / Privacy/… Ø Projects looking at higher level services: Workflow, Transactions, Data. Mining, Knowledge Discovery… Ø Exploit Synergy: Commercial Internet with Grid Services

IRC ‘Grand Challenge’ Projects • 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

e-Health Grid ‘Grand Challenges’ • Grid-Enabled Knowledge Services for Medical Informatics - Triple Assessment in Breast Cancer: Clinical, Radiological and Cytological data fusion • Grid-based Medical Devices for Everyday Health - Patient sensors, mobile wireless communication • e. Diamond Digital Mammography - Normalized archive of mammograms - Oxford, IBM (£ 2 M), Mirada and Hospitals

e. Diamond Mammograms have different appearances, depending on image settings and acquisition systems SMF is a normalised representation independent of scanner settings

e. Diamond Training and Differential Diagnosis Applications of SMF Teleradiology and QC Virtual. Mammo “Find one like it” ? Advanced CAD SMF -CAD workstation Epidemiology SMFcomputed breast density

International Involvement • Funding UK participation in the Global Grid Forum Research/Working Groups • Funding for International CS ‘Grid Fellowships’ – CERN Data. Grid and USA i. VDGL • International members on TAG • Participation in EU FP 5 Grid Activities – e. g. EU Data. Grid and Data. TAG projects • Development of FP 6 Grid Projects – First call closes April/May – EGEE, EU Open Middleware Infrastructure Institute?

e-Science Demonstrators • • • Dynamic Brain Atlas Biodiversity Chemical Structures Mouse Genes Robotic Astronomy Collaborative Visualisation Climateprediction. com Medical Imaging/VR Seamless Access to Multiple Databases

UK e-Science Funding First Phase: 2001 – 2004 • Application Projects – £ 74 M – All areas of science and engineering • Core Programme – £ 35 M – Collaborative industrial projects Second Phase: 2003 – 2006 • Application Projects – £ 96 M – All areas of science and engineering • Core Programme – £ 16 M + £ 25 M (? ) – Core Grid Middleware

Core Programme 2 Overall Rationale: Four major functions of CP – Assist development of essential, wellengineered, generic, Grid middleware usable by both e-scientists and industry – Provide necessary infrastructure support for UK e-Science Research Council projects – Collaborate with the international e-Science and Grid communities – Work with UK industry to develop industrial -strength Grid middleware

Core Programme 2 1. 2. 3. 4. 5. 6. 6 Key Activities for Second Phase UK e-Science Grid/Centres and e-Science Institute Grid Support Centre and Network Monitoring Core Middleware engineering National Data Curation Centre e-Science Exemplars/New Opportunities Outreach and International involvement

Core Grid Middleware • Need to develop open source, open standard compliant, Grid Middleware stack that will integrate and federate with industrial solutions • Software Engineering focus as well as R&D Aim is to produce robust, well-documented, re-usable software that is maintainable and can evolve to embrace emerging Grid Service standards Ø Major focus of Core Programme 2

National Data Curation Centre • In next 5 years e-Science projects will produce more scientific data than has been collected in the whole of human history • In 20 years can guarantee that the operating and spreadsheet program and the hardware used to store data will not exist Ø Need to research and develop technologies and best practice for curating digital data Ø Need to liaise closely with individual research communities and data archive centres

Director General OST HPC Centres Research Council Pilots CCLRC Projects e-Science Operations Committee e-Science EPsrc/DTI Steering Finance Committee Grid Support Team 4 IRC +Projects DIRECTOR CORE PROGRAMME Deputy Director Technical Advisory Group International Grid Network Team Reports 9 Grid Demos National Centre Programme Open Call Projects

NHSNet NERC DTI “HEFCE” Keyworth Dir Gen MRC Pilots Outreach OST SR 2002 Pilots Hinxton BBsrc Web sites Bid HPC Pilots Publicity e-Science Esrc Centres 4 IRCs EPsrc/DTI Information Steering Pilots 5 Projects Finance Committee CCLRC 9 Grid e-Science Projects Demos Institute Operations EPsrc 8 Regional Director Committee Pilots Centres Core Programme National £ 20 M of Centre PPARC Deputy Director Grid 50 Projects Pilots Technical Advisory CCLRC Support CCLRC Open Group RAL & DLDL Team CERN Call Projects ICT Grid Suppliers GEANT Reports Grid Reports International Network Grid Network USERS EU Gridnet Team Security USERS Gridnet Security Framework Grid Taskforce UKERNA Projects Fellowships Architecture JISC Other Taskforce Data Base International Data Base Taskforce Projects Network Taskforce Monitoring Global Grid Monitoring Forum US US Players

NHSNet NERC DTI “HEFCE” Keyworth Dir Gen MRC Pilots Outreach IBM Qinetiq OST SR 2002 Pilots Hinxton BBsrc Web sites Microsoft Data Systs Bid HPC Pilots Sun Roche Publicity e-Science Esrc Centres 4 IRCs EPsrc/DTI Logica BMT Information Steering Pilots 5 Projects Finance SGI CCDC Committee CCLRC 9 Grid e-Science BAE Systems Fujitsu e-Science Projects Demos Institute Operations Rolls Royce Met Office EPsrc 8 Regional CFS Cons Committee Welcome Director Pilots Centres Compaq BP Core Programme National Oracle Pallas £ 20 M of Centre PPARC Deputy Director AVS Grid Platform 50 Projects Pilots Technical Advisory CCLRC Support. Avaki RTZ Open Group RAL & DL Team Entropia Epistemics CERN Call Projects ICT HP Fluent Industry Grid Suppliers ABB BNFL GEANT Grid & Commerce International Network Dot. Reports Bayer Delta USERS EU Gridnet Team Security Intel RVCO ltd Framework Grid Pfizer Taskforce Infosense UKERNA Projects Fellowships NAG Merck Architecture Avantium JISC Astra. Zeneca Other Taskforce GSK Unilever Data Base International Taskforce Network Projects Technical Monitoring Global Grid Advisory Group Forum US Players

NHSNet NERC DTI “HEFCE” Keyworth Dir Gen MRC Pilots Outreach IBM Qinetiq OST SR 2002 IBM Pilots Hinxton BBsrc Web sites Microsoft Data Systs Bid HPC Pilots Sun Roche Publicity e-Science Esrc Centres 4 IRCs EPsrc/DTI Logica BMT Information Steering Pilots 5 Projects Finance SGI CCDC Committee CCLRC 9 Grid e-Science BAE Systems Fujitsu e-Science Projects Demos Institute Operations Rolls Royce Met Office EPsrc 8 Regional CFS Cons Committee Welcome Director Pilots Centres Compaq BP Core Programme National Oracle Pallas £ 20 M of Centre PPARC Deputy Director AVS Grid Platform 50 Projects Pilots Technical Advisory CCLRC Support. Avaki RTZ Open Group RAL & DL Team Entropia Epistemics CERN Call Projects ICT HP Fluent Industry Grid Suppliers ABB BNFL GEANT Grid & Commerce International Network Dot. Reports Bayer Delta USERS EU Gridnet Team Security Intel RVCO ltd Framework Grid Pfizer Taskforce Infosense UKERNA Projects Fellowships NAG Merck Architecture Avantium JISC Astra. Zeneca Other Taskforce GSK Unilever Data Base International Taskforce Network Projects Technical Monitoring Global Grid Advisory Group Forum US Players

NHSNet NERC DTI “HEFCE” Keyworth Dir Gen MRC Pilots Outreach OST SR 2002 Pilots Hinxton USA BBsrc Web sites Bid France HPC Pilots Publicity e-Science Germany Centres Esrc 4 IRCs EPsrc/DTI Information Steering Pilots Brazil 5 Projects Finance Committee CCLRC 9 Grid e-Science Holland e-Science Projects Demos Institute Japan Operations China EPsrc 8 Regional Director Committee Pilots Centres Core Italy Programme National Scandinavia £ 20 M of Centre PPARC Deputy Director Australia Grid 50 Projects Pilots Technical Advisory Switzerland CCLRC Support Open Group Austria RAL & DL Team CERN Call Projects Singapore ICT Grid Belgium Suppliers GEANT Reports Grid International Network Canada USERS EU Gridnet Team Ireland Security Framework Grid Poland Taskforce UKERNA Projects Fellowships Spain Architecture South. JISC Other Taskforce America Data Base International Taskforce Network Projects Monitoring Global Grid Forum US Players

NHSNet NERC DTI “HEFCE” Keyworth Dir Gen MRC Pilots Outreach OST SR 2002 Pilots Hinxton BBsrc Web sites Bid HPC Pilots Publicity e-Science Esrc Centres 4 IRCs EPsrc/DTI Information Steering Pilots 5 Projects Finance Committee CCLRC 9 Grid e-Science Projects Demos Institute Operations EPsrc 8 Regional Director Committee Pilots Centres Core Programme National £ 20 M of Centre PPARC Deputy Director Grid 50 Projects Pilots Technical Advisory CCLRC Support Open Group RAL & DL Team CERN Call Projects ICT Grid Suppliers GEANT Reports Grid International Network USERS EU Gridnet Team Security Framework Grid Taskforce UKERNA Projects Fellowships Architecture JISC Other Taskforce Data Base International Taskforce Network Projects Monitoring Global Grid Forum US Players A viable Core Programme must have this scope and an infrastructure to support it!

e-Science and the Grid ‘e-Science will change the dynamic of the way science is undertaken. ’ John Taylor, 2001 Ø Need to convince university IT Directors!

e-Government and the Grid ‘[The Grid] intends to make access to computing power, scientific data repositories and experimental facilities as easy as the Web makes access to information. ’ Tony Blair, 2002