David De Roure University of Southampton

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


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


‘[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


UniversityR & D

Joint Information Systems Committee

UK funding contextResearch Councils

Particle Physics and AstronomyEngineering and Physical SciencesNatural EnvironmentEconomic and SocialMedicalBiotechnology and Biological SciencesCCLRC(Arts and Humanities)

Dept of Tradeand Industry

Euro

pean

Com

miss

ionCompanies


UK e-Science FundingFirst 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


e-Science Core ProgramFour 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


myGrid pilot project Bioinformatics Imminent ‘deluge’

of data Highly

heterogeneous Highly complex

and inter-related Convergence of

data and literature archives

http://www.mrc.ac.uk/PDFs/dem_gen.pdf


X-Raye-Lab

Analysis

Properties

Propertiese-Lab

SimulationVideo

Diff

ract

omet

er

Grid Middleware

StructuresDatabase

Combe Chem pilot project


Cambridge

Newcastle

Edinburgh

Oxford

Glasgow

Manchester

Cardiff

SouthamptonLondon

Belfast

DL

RAL Hinxton

UK e-Science Grid


UK e-Science: Phase 2Three 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


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


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


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


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


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 disciplinesJISC


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


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/


Vision: The Grid

Courtesy of Ian Foster


Vision: The GridGrid 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


Challenges: Unanticipated Re-use

Wish to reuse Data Services Software Knowledge

myGrid

Combechem

http://www.gridforum.org/


Outline

1. The e-Vision and its challenges

2. Enabling Technologies Grid Semantic Web



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

Semantic Web




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


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


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



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


Layers of Languages

We are here!

IdentityStandard SyntaxMetadata annotations

Ontologies

Rules & Inference

ExplanationAttribution


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


RDF

OWL Web Ontology Language

DAML+OIL

DARPA Agent Markup Language

A W3C Recommendation

OIL

OWL

All influenced by RDF

Ontology Inference Layer

EU/NSF Joint Ad hoc CommitteeThe most popular ontology language in the world ever!

DAML

OWL Lite (thesaurus)OWL DL (reason-able)OWL Full (anything goes)


5 More Myths Busted!1. Isn’t it just AI and distributed agents (again)?

No – It is primarily metadata integration and querying2. 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!


Outline





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

http://www.semanticgrid.org/


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


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


Underpinnings of e-Science

Grid Computing

The Semantic

Web

The Semantic

Grid

Web Services

Contrast with…


Knowledge Grid


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-howWith 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


Semantics in e-ScienceOntology-aided

workflow construction

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


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


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


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


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


Finding collaborators

Using scaleable triple store and AKT ontology


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


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


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


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


Outline





Building bridges

July 2004 IAAI Panel 58Pervasive

Semantic

Grid


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?


Contact David De Roure

University of Southampton, [email protected]

Carole GobleUniversity of Manchester, [email protected]

See www.semanticgrid.org

mailto:[email protected]

mailto:[email protected]

http://www.semanticgrid.org/


Acknowledgements

myGrid Combechem


Documents

David De Roure University of Southampton