Cyberinfrastructure and the Transformation of Science, Education and Engineering Tony Hey Director of UK e-Science Core Program

J.C.R.Lickliders Vision Lick had this concept of the intergalactic network which he believed was everybody could use computers anywhere and get at data anywhere in the world. He didnt envision the number of computers we have today by any means, but he had the same concept – all of the stuff linked together throughout the world, that you can use a remote computer, get data from a remote computer, or use lots of computers in your job. The vision was really Licks originally. Larry Roberts – Principal Architect of the ARPANET

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 Purpose of e-Science initiative is to allow scientists to do faster, different, better research

The e-Science Paradigm The Integrative Biology Project involves the University of Oxford (and others) in the UK and the University of Auckland in New Zealand Models of electrical behaviour of heart cells developed by Denis Nobles team in Oxford Mechanical models of beating heart developed in Auckland Need to be able to build a Virtual Organisation allowing routine access for researchers to specific resources in the UK and New Zealand

Common Fabric Group A Group B Resources Generic services e-Infrastructure/Cyberinfrastructure for Research Private Resources Private Resources

Grids in Education Education is a classic distributed organization New multi-disciplinary curricula require distributed experts interacting with mentors and students Education requires rich integration of data sources with people and computing Grids will democratize resources enabling universal and ubiqitous access Learning Management systems such as WebCT, Blackboard, Placeware, WebEx and Groove all have natural Grid implementations

Information Grid Enterprise Grid Compute Grid Campus Grid R2R1 Teacher Students Dynamic light-weight Peer-to-peer Collaboration Training Grid Overlapping Heterogeneous Dynamic Grid Islands

Grid Middleware Infrastructure Global e-Science Infrastructure must support genuine needs of users/applications To support routine collaboration between institutions in different countries need set of robust middleware services and agreedpolicies Require global Authentication, Authorization and Accounting (AAA) Services Need robust and secure middleware services supported on top of network services

Global Terabit Research Network The Grid software and resources run on top of high performance global networks

Single Sign-On and Digital Certificates 1. Scientist wishes to access a resource, so he sends a copy of the certificate to the resource 2. Resource says: prove its your certificate 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 Private Key Challenge Response

UK e-Science Funding First Phase: 2001 –2004 Application Projects –£74M –All areas of science and engineering Core Programme –£15M OST –£20M DTI Collaborative industrial projects Second Phase: 2003 –2006 Application Projects –£96M –All areas of science and engineering Core Programme –£16M OST –DTI Technology Fund

GridPP Presentation to PPARC Grid Steering Committee 26 July 2001 Steve Lloyd Tony Doyle John Gordon

Powering the Virtual Universe (Edinburgh, Belfast, Cambridge, Leicester, London, Manchester, RAL) Multi-wavelength showing the jet in M87: from top to bottom – Chandra X-ray, HST optical, Gemini mid-IR, VLA radio. AstroGrid will provide advanced, Grid based, federation and data mining tools to facilitate better and faster scientific output. Picture credits: NASA / Chandra X-ray Observatory / Herman Marshall (MIT), NASA/HST/Eric Perlman (UMBC), Gemini Observatory/OSCIR, VLA/NSF/Eric Perlman (UMBC)/Fang Zhou, Biretta (STScI)/F Owen (NRA) p13 Printed: 04/02/2014

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

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

GEODISE Project

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

myGrid Project Imminent deluge of data Highly heterogeneous Highly complex and inter-related Convergence of data and literature archives

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

BioSim Grid 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 Sansom et al. (2000) Trends Biochem. Sci. 25:368 molecular cellular organism

GENIE: Delivering e-Science to the environmental scientist

MIAS Devices Project Easy Plug and Play of Sensors Wireless connection using Positioning information from GPS Mobile medical technologies on a distributed Grid Sensor bus GPS ariel

eDiamond Applications of SMF Training and Differential Diagnosis Find one like it Teleradiology and QC VirtualMammo Epidemiology SMFcomputed breast density ? Advanced CAD SMF-CAD workstation

e-Science Core Program (CP) Overall Rationale: Four major functions of CP –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

Support for e-Science Projects Grid Support Centre in operation –supported Grid middleware & users –see National e-Science Institute –Research Seminars –Training Programme –See e-Science Certificate Authority –Issue digital certificates for projects –Goal is single sign-on'

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

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

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

Cambridge Newcastle Edinburgh Oxford Glasgow Manchester Cardiff Soton London Belfast DL RL Hinxton UK e-Science Grid: Second Phase OGSA Grid

Grid Network Team Expert group identified end-to-end network bottlenecks and other network issues e.g. problems with multicast for Access Grid Collected e-Science project networking requirements Recommended funding a number of network QoS, scheduling and monitoring projects £6.5M UKLight lambda connection to Chicago and Amsterdam now funded

SuperJANET4

Networking Research Projects Network Infrastructure GRS, GRID resource management MB-NG, QoS Features GRIDprobe, backbone passive monitoring at 10Gbps FutureGRID, P2P architecture GridMcast, Multicast- enabled data distribution GRID Infrastructure Service Infrastructure

UKLight Infrastructure to support the UK part of an International facility – the Global Lambda Integrated Facility - for Network R&D –e.g. international Gigabit ethernet channels An example of the kind of infrastructure which might be incorporated in to SuperJANET5 Implemented with: –Telco Wavelength services –Multiplexed channels (SDH) to carry Gigabit ethernet

GEANT UKLight London StarLight Chicago NetherLight Amsterdam CERN CzechLight UK Researchers Extended JANET Development Network Local Research Equipment International Point-of-Access CA*net Abilene UKLight – showing connections to selected International peer facilities 10Gb/s 2.5Gb/s Existing connections Proposed connections

The UK Grid Experience: Phase 1 UK Programme on Grids for e-Science –£75M for e-Science Applications UK Grid Core Programme for Industry –£35M for collaborative industrial R&D Over 80 UK companies participating Over £30M industrial contributions Engineering, Pharmaceutical, Petrochemical IT companies, Commerce, Media

e-Science CP – Next Steps Deploy production National Grid Service based on four dedicated JISC nodes plus the two UK Supercomputer Facilities Develop operational policies, security, … Gain experience with genuine user community Develop OGSA based e-Science Grid Based on two OGSA Grid projects and e-Science Centres Work with EGEE project

DTI Technology Fund 2004 £150M National Technology Strategy announced by Patricia Hewitt in December 2003 Competing in the Global Economy: The Innovation Challenge Report published Funding available from April 2004 Centres need to prepare consortium bids on commercial/industrial applications of Grids

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

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

Identifiable UK Focus Data Access and Integration –OGSA-DAI and DAIT project (CP) Key grid data services –Workflow, Provenance, Notification –Distributed Query, Knowledge Management Data Curation and Data Handling –Digital Curation Centre (CP/JCSR) –Data Handling (JCSR) Security, AA and all that –Short/Medium Term Problems (JCSR) –Medium/Long Term Issues (CP/EPSRC)

The Key Problem: 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 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

The UK Open Middleware Infrastructure Institute (OMII) Repository for UK-developed Open Source e-Science/Cyber-infrastructure Middleware Documentation, specification,QA and standards 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 by major IT companies Southampton selected as the OMII site

2.4 Petabytes Today

Digital Curation Centre (DCC) 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 Research curation technologies and best practice Need to liaise closely with individual research communities, data archives and libraries Edinburgh with Glasgow, CLRC and UKOLN selected as site of DCC

The UK Dual Support System UK Government provides two streams of public funding for university research: –Funding provided to the universities for research infrastructure – salaries of permanent academic staff, premises, libraries & central computing costs –Funding from the Research Councils for specific projects – in response to proposals submitted & approved through peer review This Well Founded Laboratory concept needs to be extended to support virtual laboratories

Initial Research Infrastructure Portfolio Prototype National Grid Service based on dedicated Compute and Data Clusters Semantic Grid development projects AccessGrid Support Service e-Social Science Training material Intelligent Text Mining Service for Biosciences Digital Curation Centre

New Research Infrastructure Funding £3M for Security Development Projects –Combine Shibboleth with PERMIS Authorization Services –Joint project with NSF Internet2 NMI project on Security Services for Virtual Organizations £2M+ for Identified JCSR Topics –Data Handling, Visualization, Knowledge Management, Collaborative Tools, Human Factors –New Grids for Education program? £3M for Collaborative e-Research Environments –Data Analysis and Visualization Centres?

New Research Infrastructure Funding 2 £3.4M for National Middleware Services –Deployment of NationalAuthentication Framework based on Shibboleth –Provide support Digital Library and e-Science communities Goal is to develop global AAA infrastructure -Australia and Switzerland exploring this route -Work with US NMI and EU EGEE projects -Work with Internet2, TERENA and the NRENs

What is Shibboleth? An architecture developed by the Internet2 middleware community NOT an authentication scheme (relies on home site infrastructure to do this) NOT an authorisation scheme (leaves this to the resource owner) BUT an open, standards-based protocol for securely transferring attributes between home site and resource site Also provided as an open-source reference software implementation

UK e-Science Timeframes SR2000 * * * SR2002 * * * SR2004 * * * SJ5/AAA Service * * LHC/LCG *

e-Science Infrastructure beyond Persistent UK e-Science Research Grid 2.Grid Operations Centre 3.Open Middleware Infrastructure Institute 4.National e-Science Institute 5.Digital Curation Centre 6.AccessGrid Support Service 7.e-Science/Grid Legal Service 8.International Standards Activity

Cyberinfrastructure and Universities e-Science will change the dynamic of the way science is undertaken. John Taylor, 2001 Need to break down the barriers between the Victorian bastions of science – biology, chemistry, physics, …. Problems with tenure and publications Develop permeable structures that promote rather than hinder multidisciplinary collaboration Need to engage University IT Service Departments – Computing, Library,..

A Definition of 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