The e-Science Initiative in the UK and the Need for International - PowerPoint PPT Presentation

The e-Science Initiative in the UK and the Need for International Collaboration Tony Hey tony.hey@epsrc.ac.uk

A Definition of e-Science ‘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

UK e-Science Funding First Phase: 2001 –2004 Second Phase: 2003 –2006 • Application Projects • Application Projects – £74M – £96M – All areas of science – All areas of science and and engineering engineering • Core Programme • Core Programme – £15M + £20M (DTI) – £16M – Collaborative – Core Grid Middleware industrial projects – DTI follow-on?

e-Science Core Programme Overall Rationale: – Assist development of essential, well- engineered, 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

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

e-Science Centres of Excellence • Birmingham/Warwick – Modelling • Bristol – Media • UCL – Networking • White Rose Grid – Leeds, York, Sheffield • Lancaster – Social Science • Leicester – Astronomy • Reading - Environment

Edinburgh Glasgow DL Newcastle Belfast Manchester Cambridge Oxford RL Hinxton Cardiff London Soton

UK e-Science Grid – Next Steps Two activities in parallel • Deploy ‘production GT2 Grid’ based on four dedicated nodes plus the two UK Supercomputer Facilities � Use same middleware base as EGEE if possible � Set up Grid Operational Centre with operational security team � Gain experience from a genuine user community • Develop ‘OGSA Grid’ � Funded two evaluation OGSA Grid projects � Extend to e-Science Centres � Work with EGEE project

Motivations • Scientific community developed the Web as a collaboration technology � Transformed modern business world! • John Taylor brought the HP vision of the information utility to the scientific context � Global infrastructure for scientific R&D • Scientific community is now developing the Grid as a collaboration technology � Will this be relevant to business …?

DAME Project In flight data Global Network eg: SITA Ground Airline Station DS&S Engine Health Center Maintenance Centre Internet, e-mail, pager Data centre

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

eDiaMoND Project Mammograms have different Temporal appearances, depending on image mammography settings and acquisition systems Computer Standard Standard Mammo Aided Mammo Format Format Detection 3D View

Powering the Virtual Universe http://www.astrogrid.ac.uk (Edinburgh, Belfast, Cambridge, Leicester, London, Manchester, RAL) Multi-wavelength showing the jet in M87: from top to bottom Picture credits : “NASA / Chandra X-ray Observatory / – Chandra X-ray, HST optical, Gemini mid-IR, VLA radio. Herman Marshall (MIT)”, “NASA/HST/Eric Perlman (UMBC), “Gemini Observatory/OSCIR”, “VLA/NSF/Eric AstroGrid will provide advanced, Grid based, federation and Perlman (UMBC)/Fang Zhou, Biretta (STScI)/F Owen data mining tools to facilitate better and faster scientific (NRA)” output. p13 Printed: 24/11/2003

SWIFT satellite ESO Image from Gamma Ray Bursts Gamma Ray Bursts observes gamma ray burst Interaction with observatory pipe- lines Localise GRB alert in minutes – as fade rapidly. Collate data from Large computational multiple telescopes photometric redshift over months - calcs on multi- λ meta data issues Cross reference multi- > gives distance λ Compare against data – ID pre-cursor SN and or environment light curves – bump shows eveidence for a SN in the GRB (Price et al, 2002) Reprocessing of D. Ducros, ESA ionospheric STP data change coords from earth to Image + IRIS data celestial

myGrid: An in silico experiment = a web of interconnected information and components People Provenance Literature record of workflow runs Provenance of the workflow template. Related Notes workflows. Data in and out Ontologies describing workflows Services used

myGrid Candidate gene pool Annotation Pipeline Genotype Assay Design System 3D Protein Structure What is known about my Select a SNP from candidate gene. What is the structure of the protein candidate gene? Is this SNP associated with product encoded by my candidate gene? Disease? Gene ID Medline Query PDB & display protein Primer Design structure using Rasmol Emboss Eprimer application PDB in SoapLab EMBL GO Use primers designed by my Grid to amplify region flanking SNP on the gene Obtain information about protein & extract information about active site SNP Query Swiss-Prot Interpro AMBIT Restriction Fragment Length Polymorphism experiment Selection of restriction enzyme Determine whether coding SNPs affects the active site of the protein OMIM BLAST Emboss Restrict Talisman in SoapLab AMBIT DQP SN SNP P SN P

Data-Centric Grids Data Complexity Computational Complexity

Workflow in eScience and eBusiness • Open versus closed worlds – Design tools – Semantics and metadata • Verification and publication – Visualisation – Publication • Static versus dynamic workflows – Provenance • Volume and Type of Data – Large and structured data

Computer Science for e-Science • EPSRC funding £9M CS research programme •18 Projects funded to date including: - Ontologies - Incomplete data sets - Autonomic architectures - Data publishing & curation, - Provenance, - QoS and SLAs • Links to applications in Bioinformatics, particle physics, materials modelling, maths etc � Most leading CS groups engaged (> 50% in 5* rated departments)

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

OGSA – DAI Project • Initial £2M project with IBM and Oracle and Edinburgh, Manchester and Newcastle Centres • Production versions released July 2003 of: – XML Database Interface (Xindice) – Relational Database Interface (DB2, Oracle, MySQL) • Prototype version released of: – Distributed Query Service • Second phase of project now approved (£1.5M) – Continued development and more functionality � OGSA-DAI Team in Edinburgh now part of the Globus Alliance

The UK e-Science Experience • UK e-Science Core Programme – £20M for collaborative industrial R&D � Over 60 UK companies participating � Over £30M industrial contributions • Engineering, Pharmaceutical, Petrochemical • IT companies, Commerce, Media

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

Research Prototype Middleware to Production Quality • Research projects are not funded to do the regression testing, configuration and QA required to produce production quality middleware • Common rule of thumb (Brooks) is that it requires at least 10 times more effort to take ‘proof of concept’ research software to production quality � Key issue for UK e-Science projects is to ensure that there is some documented, maintainable, robust grid middleware by the end of the 5 year £250M initiative

A UK Open Middleware Infrastructure Institute • Repository for UK-developed Open Source ‘e-Science/Cyber-infrastructure’ Middleware • Compliance testing for GGF/WS standards • Documentation, specification and QA • Fund work to bring ‘research project’ software up to ‘production strength’ • Fund Middleware projects for identified ‘gaps’ • Work with US NSF, EU Projects and others • Supported from major IT companies

Security Technology Roadmap • Identified areas requiring further funding classified in terms of ‘Short’, ‘Medium’ and ‘Long’ time frames • JISC/JCSR will fund Short/Medium Term security projects from the Roadmap • Preparing £3M call for ‘Authorization Models and Virtual Organisations’ • Exploring explicit link with Internet2 NSF NMI project based on Shibboleth and PERMIS • OMII/CP and EPSRC will consider Long Term security R&D projects