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e-Science and the
David De RoureUniversity of Southampton
July 2004 IAAI Panel 2
Outline
1. e-Science and e-Research2. Enabling Technologies
Grid Semantic Web
3. Semantic Grid4. Building Bridges
July 2004 IAAI Panel 3
Vision: e-Science
e-Science is about global collaboration in key areas of science and the next generation of [computing] infrastructure that will enable it. e-Science will change the dynamic of the way science is undertaken
John Taylor, Director General of UK Research Councils
July 2004 IAAI Panel 4
‘[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
Vision: e-Science
July 2004 IAAI Panel 5
UniversityR & D
Joint Information Systems Committee
UK funding context
Research CouncilsParticle Physics and AstronomyEngineering and Physical SciencesNatural EnvironmentEconomic and SocialMedicalBiotechnology and Biological SciencesCCLRC(Arts and Humanities)
Dept of Tradeand Industry
Eu
ropean
Com
mis
sionCompanies
July 2004 IAAI Panel 6
UK e-Science Funding
First Phase: 2001 –2004
Application Projects £74M All areas of science
and engineering Core Programme
£15M Research infrastructure
£20M Collaborative industrial projects
Second Phase: 2003 –2006
Application Projects £96M All areas of science
and engineering Core Programme
£16M Research Infrastructure
£10M DTI Technology Fund
Across all areasApplication-ledCore program
July 2004 IAAI Panel 7
e-Science Core Program
Four major functions: Assist development of essential,
well-engineered, generic, Grid middleware
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
July 2004 IAAI Panel 8
myGrid pilot project
Bioinformatics Imminent ‘deluge’
of data Highly
heterogeneous Highly complex
and inter-related Convergence of
data and literature archives
July 2004 IAAI Panel 9
X-Raye-Lab
Analysis
Properties
Propertiese-Lab
SimulationVideo
Diff
ract
omet
er
Grid Middleware
StructuresDatabase
Combe Chem pilot project
July 2004 IAAI Panel 10
Cambridge
Newcastle
Edinburgh
Oxford
Glasgow
Manchester
Cardiff
Southampton
London
Belfast
DL
RAL Hinxton
UK e-Science Grid
July 2004 IAAI Panel 11
UK e-Science: Phase 2
Three major new activities:1. National Grid Service and Grid
Operation Centre2. Open Middleware Infrastructure
Institute for testing, software engineering and UK repository
3. Digital Curation Centre to look at long-term data preservation issues
July 2004 IAAI Panel 12
Grid Operation Support Centre
Deploy production ‘National Grid Service’ based on four dedicated compute and data nodes plus two UK Supercomputers
Develop operational policies, security, …
Gain experience with genuine users Develop Web Services based e-Science Grid
Work with EU EGEE project, the NSF Cyberinfrastructure Program and A-P Grid activities
July 2004 IAAI Panel 13
Open Middleware Infrastructure Institute
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
July 2004 IAAI Panel 14
Digital 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 OS 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
July 2004 IAAI Panel 15
Education Grid
Teacher EducatorGrids
Informal Education(Museum)
Grid
Student/Parent …Community Grid
Science GridsBioinformatics
Earth Science …….
Typical Science GridService such as ResearchDatabase or simulation
Transformed by Grid Filterto form suitable for education
Learning ManagementGrid
Publisher Grid
Campus orEnterprise
AdministrativeGrid
Education as a Grid of Grids (thanks to Geoffrey Fox)
DigitalLibrary
Grid
July 2004 IAAI Panel 16
Vision: e-Research
Not just new Science e-Social Science e-Humanities e-Arts e-Research e-Business e-Anything …
And new disciplines!
Researchers working in all disciplines are faced daily with a wide variety of tasks necessary to sustain and progress their research activity
These involve the analytical aspects of their work, access to resources, collaboration with fellow researchers, and project management and admin
These tasks rapidly increase in scale and complexity as collaborations grow larger, become more geographically distributed and involve a wider range of disciplines
JISC
July 2004 IAAI Panel 17
Vision: HASTAC
HASTAC is an international, interdisciplinary consortium which seeks to create, develop, advance and utilize a broad range of leading computing and information systems while contributing to an understanding of the interconnections between the human sciences, natural sciences, arts, and technology in a complex global society
Humanities, Arts, Science and Technology Advanced Collaboratory
July 2004 IAAI Panel 19
Vision: Joining up
These visions are all about joining resources and people together in new ways in order to create new things
Researchers can focus on the real research
The research process is accelerated New research results are possible New research areas are possible
NB s/research/business/
July 2004 IAAI Panel 20
Vision: The Grid
Courtesy of Ian Foster
July 2004 IAAI Panel 21
Vision: The Grid
Grid computing has emerged as an important new field, distinguished from conventional distributed computing by its focus on large-scale resource sharing, innovative applications, and, in some cases, high-performance orientation...we [define] the "Grid problem”…as flexible, secure, coordinated resource sharing among dynamic collections of individuals, institutions, and resources - what we refer to as virtual organizations
From "The Anatomy of the Grid: Enabling Scalable Virtual Organizations" by Foster, Kesselman and Tuecke
July 2004 IAAI Panel 22
Challenges: Unanticipated Re-use
Wish to reuse Data Services Software Knowledge
myGrid
Combechem
July 2004 IAAI Panel 26
Outline
1. The e-Vision and its challenges
2. Enabling Technologies Grid Semantic Web
3. Semantic Grid4. Building Bridges
July 2004 IAAI Panel 27
Two infrastructure enablers
On demand transparently constructed multi-organisational federations of distributed services
Distributed computing middleware
Computational Integration
An automatically processable, machine understandable web
Distributed knowledge and information management
Information integration
Grid Computing
Grid Computing
Semantic Web
Semantic Web
July 2004 IAAI Panel 28
July 2004 IAAI Panel 29
Five Myths busted!
1. Isn’t it just for Physics? No – Grids for Life Science and Medicine will
dominate Grid applications Think of the range and scale of data and the
community!2. Isn’t it just High Performance
computing? No – it’s a generic mechanism for forming,
managing and disbanding dynamic federations of services
Data integration, data access, data transport will dominate
Application integration is the key
July 2004 IAAI Panel 30
Five Myths busted!
3. Isn’t it just a bag of protocols glued together?
No – the Open Grid Service Architecture gives a well specified middleware stack built on industry standard web services
4. Isn’t it just Globus toolkit? No – that is one reference implementation.
5. Isn’t it just a bunch of academic physicists?
No –all the commercial vendors are making serious investment. IBM DB2 and Oracle 10g will be grid-compliant
July 2004 IAAI Panel 31
Standard mechanisms for describing and invoking services: WSDL, SOAP, WS-Security etc
Standard interfaces and behaviours for distributed systems: naming, service state, lifetime management, notification
Standard services: agreement, data access and integration, workflow, security, policy, brokering…
Specific services: drug discovery pipeline, sky surveys
Open Grid Service Architecture
Web Service Resource FrameworkWeb Service-Notification
Web Services
Grid Applications
Grid Services
July 2004 IAAI Panel 32
July 2004 IAAI Panel 33
Origins of the Semantic Web
The Semantic Web is an extension of the current Web in which information is given a well-defined meaning, better enabling computers and people to work in cooperation. It is the idea of having data on the Web defined and linked in a way that it can be used for more effective discovery, automation, integration and reuse across various applications. The Web can reach its full potential if it becomes a place where data can be processed by automated tools as well as people.
W3C Activity Statement
July 2004 IAAI Panel 34
Layers of Languages
We are here!
Identity
Standard Syntax
Metadata annotations
Ontologies
Rules & Inference
Explanation
Attribution
July 2004 IAAI Panel 35
Resource Description Framework
Common model for metadata
A graph of triples Query over and link
together RDQL, repositories,
integration tools, presentation tools
The Network Effect
Graphic courtesy of Tim Berners-Lee
July 2004 IAAI Panel 36
RDFRDF
OWL Web Ontology Language
DAML+OILDAML+OIL
DARPA Agent Markup Language
A W3C Recommendation
OILOIL
OWLOWL
All influenced by RDF
Ontology Inference Layer
EU/NSF Joint Ad hoc CommitteeThe most popular ontology language in the world ever!
DAMLDAML
OWL Lite (thesaurus)OWL DL (reason-able)OWL Full (anything goes)
July 2004 IAAI Panel 37
5 More Myths Busted!
1. Isn’t it just AI and distributed agents (again)? No – It is primarily metadata integration and querying
2. Don’t you need all that reasoning stuff? No – A little bit of semantics goes a long way! (Hendler)
3. It only applies to the Web? No – the technologies are being used for Enterprise
integration, exposing data in a common model, common ontology languages, representing terminologies.
4. One big ontology of everything never works! No – multiple ontologies; multiple everything!
5. One big Semantic Web! No – lots of Semantic Web-lets, and expect it to break!
July 2004 IAAI Panel 38
Outline
1. The e-Vision and its challenges
2. Enabling Technologies Grid Semantic Web
3. Semantic Grid4. Building Bridges
July 2004 IAAI Panel 39
The Semantic Grid Report 2001
At this time, there are a number of grid applications being developed and there is a whole raft of computer technologies that provide fragments of the necessary functionality.
However there is currently a major gap between these endeavours and the vision of e-Science in which there is a high degree of easy-to-use and seamless automation and in which there are flexible collaborations and computations on a global scale.
www.semanticgrid.org
July 2004 IAAI Panel 40
Semantic Grid
Scale of data and computation
Sca
le o
f In
tero
pera
bilit
y SemanticWeb
ClassicalWeb
SemanticGrid
ClassicalGrid
Based on an idea by Norman Paton
July 2004 IAAI Panel 41
Semantics in and on the Grid
The Semantic Grid is an extension of the current Grid in which information and services are given well-defined meaning, better enabling computers and peopleto work in cooperation
July 2004 IAAI Panel 42
Underpinnings of e-Science
Grid Computing
Grid Computing
The Semantic
Web
The Semantic
Web
The Semantic
Grid
Web ServicesWeb Services
Contrast with…
July 2004 IAAI Panel 43
Knowledge Grid
July 2004 IAAI Panel 45
Grid Computing trajectory
CPU scavenging
CPU intensive workload Grid as a utility, data Grids, robust infrastructure Intra-company, intra community
e.g. Life Science Grid
Sharing standard scientific process and data, sharing of common infrastructure
Between trusted partners
Sharing of apps and know-how
With controlled set of unknown clients
Virtual organisations with dynamic access to unlimited resources
For all
time
cost There are SG technologies available today for immediate deployment
July 2004 IAAI Panel 46
Semantics in e-ScienceOntology-aided
workflow construction
Ontology-aided workflow
construction
RDF-based semantic mark up of results, logs, notes, data
entries
RDF-based semantic mark up of results, logs, notes, data
entries
RDF-based service and data registries
RDF-based metadata for experimental components
RDF-based provenance graphs
OWL based controlled vocabularies for database content
OWL based integration
July 2004 IAAI Panel 47
Engineering Design
APPLICATION SERVICE
PROVIDERCOMPUTATION
GEODISE PORTAL
OPTIMISATION
Engineer
Parallel machinesClusters
Internet Resource ProvidersPay-per-use
Optimisation archive
Intelligent Application Manager
Intelligent Resource Provider
Licenses and code
Session database
Design archive
OPTIONSSystem
Knowledge repository
Traceability
Visualization
Globus, Condor, SRB
Ontology for Engineering,
Computation, &Optimisation and Design Search
CAD SystemCADDSIDEASProE
CATIA, ICAD
AnalysisCFDFEMCEM
ReliabilitySecurity
QoS
July 2004 IAAI Panel 48
Ontologies for e-Science
User-oriented, scalable environment for domain experts to acquire, develop and use ontologies
Based on OilEd and Protégé 2000
Transatlantic cooperation on the development of ontologies for e-Science Universities Manchester and Southampton, UK
Stanford University, USA
July 2004 IAAI Panel 49
Collaboration tools
mapping real time discussions/group
sensemaking
enacting decisions/coordinating activities
synthesising artifacts
recovering information from meetings
awareness ofcolleagues’ ‘presence’
virtual meetings
BuddySpace
NetMeeting
Access Grid Node
Compendium
Replay
I-X Tools
July 2004 IAAI Panel 50
NASA Scenario
Compendium maps from trained compendium astronaut
Remote Science Team (RST) on earth e.g. geologistsVideo and
Science Data
2. Virtual meeting of RSTusing CoAKTinG tools
Plan for nextDay’s EVA
1. Astronauts debrief on EVA
Mars
July 2004 IAAI Panel 51
Finding collaborators
Using scaleable triple store and AKT ontology
July 2004 IAAI Panel 52
GGF9 Semantic Grid Workshop
The Role of Concepts in myGrid Carole Goble Planning and Metadata on the Computational Grid
Jim Blythe Semantic support for Grid-Enabled Design Search in
Engineering Simon Cox Knowledge Discovery and Ontology-based services
on the Grid Mario Cannataro Attaching semantic annotations to service
descriptions Luc Moreau Semantic Matching of Grid Resource Description
Frameworks John Brooke Interoperability challenges in Grid for Industrial
Applications Mike Surridge Semantic Grid and Pervasive Computing David De
Roure
July 2004 IAAI Panel 53
GGF11 Semantic Grid Workshop
Engineering semantics: Costs and Benefits Simon Cox
Designing Ontologies and Distributed Resource Discovery Services for an Earthquake Simulation Grid Marlon Pierce
Exploring Williams-Beuren Syndrome Using myGrid Carole Goble
Distributed Data Management and Integration Framework: The Mobius Project Shannon Hastings
eBank UK - Linking Research Data, Scholarly Communication and Learning David De Roure
Using the Semantic Grid to Build Bridges between Museums and Indigenous Communities Ronald Schroeter
Using the Semantic Grid to Build Bridges between Museums and Indigenous Communities Ronald Schroeter
Collaborative Tools in the Semantic Grid David De Roure
The Integration of Peer-to-peer and the Grid to Support Scientific Collaboration
OWL-Based Resource Discovery for Inter-Cluster Resource Borrowing Hideki YOSHIDA
Semantic Annotation of Computational Components Peter Vanderbilt
Interoperability and Transformability through Semantic Annotation of a Job Description Language Jeffrey Hau
July 2004 IAAI Panel 54
E-Science Special Issue
IEEE Intelligent Issue Special Issue on E-Science, Jan-Feb 2004 De Roure, Gil, Hendler
Challenges: Realizing the network effect Moving beyond centralized stores Automated assembly Collaboration tools
July 2004 IAAI Panel 55
Self-Organizing Semantic Grid
…Our self-organizing Semantic Grid is now a constantly evolving organism, with ongoing, autonomous processing rather than on-demand processing. This evolving, organic Grid can generate new processes and new knowledge.
David De Roure, Trends and ControversiesIEEE Intelligent Systems, August 2003
July 2004 IAAI Panel 56
Outline
1. The e-Vision and its challenges
2. Enabling Technologies Grid Semantic Web
3. Semantic Grid4. Building Bridges
July 2004 IAAI Panel 57
Building bridges
July 2004 IAAI Panel 58
Pervasive
Semantic
Grid
July 2004 IAAI Panel 61
Closing Remarks
The Semantic Grid is needed to realise the Grid ambition and the e-Anything vision
Both Grid and Semantic Web are about joining things up – building bridges
To create this infrastructure we also need to build bridges – it needs the engagement of multiple research communities
What can the Semantic Grid do for you, and what can you do for the Semantic Grid?
July 2004 IAAI Panel 62
Contact
David De RoureUniversity of Southampton, UKdder@ecs.soton.ac.uk
Carole GobleUniversity of Manchester, UKcarole@cs.man.ac.uk
See www.semanticgrid.org
July 2004 IAAI Panel 63
Acknowledgements
myGrid Combechem