The Challenge of eScience and the Grid for Universities

1
The Challenge of e-Science and the Grid for
Universities

• Tony Hey
• Director of UK e-Science Core Programme
• Tony.Hey_at_epsrc.ac.uk

2
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

3
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

4
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

5
e-Infrastructure/Cyberinfrastructurefor Research
Common Fabric
Generic services
Group A
Resources
Private Resources
Group B
Private Resources
6
Educational Grids

• Education is a classic distributed organization
  requiring integration of data sources with people
  and computing
• New multi-disciplinary curricula require
  distributed experts interacting with mentors and
  students
• 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

7
Enterprise Grid
Dynamic light-weight Peer-to-peer Collaboration
Training Grid
Students
Information Grid
Compute Grid
Campus Grid
Teacher
Overlapping Heterogeneous Dynamic Grid Islands
8
The Grid as an Enabler for Virtual Organisations

• 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

9
A Definition of e-Research?

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

10
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 RD
• Scientific community is now developing the Grid
  as a collaboration technology
• Will this be as relevant to Arts and Humanities
  as the Web?

11
NSF Adkins Report on Cyberinfrastructure

• the primary access to the latest findings in a
  growing number of fields is through the Web, then
  through classic preprints and conferences, and
  lastly through refereed archival papers.
•   
• archives containing hundreds or thousands of
  terabytes of data will be affordable and
  necessary for archiving scientific and
  engineering information.

12
MIT DSpace Vision

• As more and more research and educational
  material is born digital, institutions and
  organizations are increasingly realizing the need
  for a stable place in which such material may be
  stored and accessed long-term. The Massachusetts
  Institute of Technology is a perfect example of
  an organization with this need. Much of the
  material produced by faculty, such as datasets,
  experimental results and rich media data as well
  as more conventional document-based material
  (e.g. articles and reports) is housed on an
  individuals hard drive or department Web server.
  Such material is often lost forever as faculty
  and departments change over time.
•  

13
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

14
CERN's Users in the World
Europe 267 institutes, 4603 usersElsewhere
208 institutes, 1632 users
15
Powering the Virtual Universehttp//www.astrog
rid.ac.uk(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)


p15
Printed 09/11/2009
16
Comb-e-Chem Project
Video
Simulation
Properties
Analysis
StructuresDatabase
Diffractometer
X-Raye-Lab
Propertiese-Lab
Grid Middleware
17
DAME Project
In flight data
Global Network eg SITA
Ground Station
Airline
DSS Engine Health Center
Maintenance Centre
Internet, e-mail, pager
Data centre
18
myGrid Project

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

19
Discovery Net Project
Interactive Editor Visualisation
Nucleotide Annotation Workflows
Download sequence from Reference Server
Save to Distributed AnnotationServer

• 1800 clicks
• 500 Web access
• 200 copy/paste
• 3 weeks work
• in 1 workflow and few second execution

20

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

21
eDiaMoND Project
Mammograms have different appearances, depending
on image settings and acquisition systems
Temporal mammography
Computer Aided Detection
Standard Mammo Format
3D View
22
MIAS-Devices Project

• Continuous monitoring of multiple signals via
  wearable devices
• Periodic monitoring using Java phones and blood
  glucose measures

Sensor bus
GPS ariel
23
Support for e-Science Projects

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

24
Single Sign-On Digital Certificates
Public Key
A text string
ABCDEFGHIJKLMNOPQRSTUV
Validity Data
Extensions
Signature from CAs private key
25
UK e-Science Grid
Edinburgh
Glasgow
Newcastle
DL
Belfast
Manchester
Cambridge
Oxford
Hinxton
RAL
Cardiff
London
Southampton
26
Access Grid Group Conferencing
All UK e-Science Centres have AG rooms Widely
used for technical and management meetings
Multi-site group-to-group conferencing
system Continuous audio and video contact with
all participants Globally deployed
27
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

28
UK e-Science Grid Second Phase OGSA Grid
Edinburgh
Glasgow
Newcastle
DL
Belfast
Manchester
Cambridge
Oxford
RL
Hinxton
Cardiff
London
Soton
29
Identifiable UK Focus

• Data Access and Integration
• OGSA-DAI and DAIT project (1.5M)
• Key grid data services
• Workflow, Provenance, Notification
• Disrtributed Query, Knowledge Management
• Data Curation and Data Handling
• Digital Curation Centre (3M)
• Data Handling (1M)
• Security, AA and all that
• Short/Medium Term Problems (3M)
• Medium/Long Term Issues (2M)

30
Semantic Web
31
Metadata Ontologies

• Metadata computationally accessible data about
  the services
• Ontologies the shared and common understanding
  of a domain
• A vocabulary of terms
• Definition of what those terms mean.
• A shared understanding for people and machines
• Usually organised into a taxonomy.

32
The Semantic Grid
Semantic Web
Data Complexity
Classical Grid
Classical Web
Computational Complexity
33
The UK e-Science ExperiencePhase 1

• All Research Council e-Science funds committed
• e-Science pilots launched covering many areas of
  science, engineering and medicine
• UK e-Science Core Programme
• DTI 20M for collaborative industrial RD
• About 80 UK companies participating
• Over 30M industrial contributions
• Engineering, Pharmaceutical, Petrochemical
• IT companies, Commerce, Media

34
UK e-Science Next Steps

• Deploy production National Grid Service
  based on four dedicated compute and data nodes
  plus the two UK Supercomputers
• Develop operational policies, security,
• Gain experience with genuine users
• Develop OGSA based e-Science Grid
• Based on two OGSA Grid projects and
• e-Science Centres
• Work with EU EGEE project and NSF
• Cyberinfrastructure Program

35
Open Grid Services Architecture

• Development of Web Services
• OGSA/WSRF/ will provide
• Naming /Authorization / Security / Privacy/
• Projects should look at higher level services
  Workflow, Transactions, DataMining, Knowledge
  Discovery
• Exploit Synergy Commercial Internet
  with Grid Services

36
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

37
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

38
2.4 Petabytes Today
39
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

40
The UK Dual Support System

• Provides two streams of public funding for
  university research
• Funding provided by the HEFCs 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
• Well Founded Laboratory concept

41
SuperJANET4
42
JISC Committee for Support of Research (JCSR)

• Established in 2002 after Follett Review
• Remit is to ensure JISC retains focus on research
  community
• Budget of 3M p.a.
• Seeking research support requirements from
  Research Councils
• Funded analysis of research data curation
  requirements
• Funded scoping study on legal, IPR and provenance
  issues for e-Science collaboratories

43
Initial JCSR Portfolio

• Grid Middleware Testbed with Compute and Data
  Clusters with CLRC
• AAA Initiative with JCIE
• Autonomic Computing/Semantic Grid initiative with
  EPSRC
• Access Grid Support Service
• e-Social Science Training material with ESRC
• Intelligent Text Mining Service for Biosciences
  with BBSRC
• Digital Curation Centre with e-Science Core
  Programme

44
UK e-Science Timeframes

• 2001 2002 2003 2004 2005 2006 2007
• SR2000
• SR2002
• SR2004
  
• SJ5/AAA Service
• LHC/LCG

45
e-Science Infrastructure beyond 2006

• Persistent UK e-Science Research Grid
• Grid Operations Centre
• Open Middleware Infrastructure Institute
• National e-Science Institute
• Digital Curation Centre
• AccessGrid Support Service
• e-Science/Grid Legal Service
• International Standards Activity

46
e-Science and the University

• 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, .
• Develop permeable structures that promote
  rather than hinder multidisciplinary
  collaboration
• Key role for Computer Science Departments
• e.g. Cornell model
• Need to engage University IT Service Departments
  Computing, Library, ..

47
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