The Semantic Grid: Enabling e-Science

David De Roure University of Southampton www.semanticgrid.org

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1. The ambition

2. Enabling Technologies

n Grid

n

3. Semantic Grid

4. Are we there yet?

5. The Future

May 2006 ISGC 2

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1. The ambition

2. Enabling Technologies

n Grid

n Semantic Web

3. Semantic Grid

4. Are we there yet?

5. The Future

May 2006 ISGC 3

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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 in 2001

May 2006 ISGC 4

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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, Kesselmanand Tuecke

May 2006 ISGC 5

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These visions require an infrastructure for flexible, coordinated resource sharing – they are fundamentally about joining resources up, automatically, in order to do things that weren’t possible before

Instruments Computation Services Data People Devices

May 2006 ISGC 6

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com Challenges: virtual orgs

n Resource configurations are n Scale of data and compute transient, dynamic and resources is large volatile as services (databases, n Quality of Service and sensors, compute servers) performance criteria are switched in and out severe n They are ad-hoc as service n Platform must be scalable, consortia have no central able to evolve, fault-tolerant, location or control, and no robust, persistent and existing trust relationships reliable n They may be large, with n It should work seamlessly, hundreds of services and transparently – the user orchestrated at any time might not know or care n They may be long-lived, for where their calculation is example a protein folding done using how many simulation could take weeks machines, or where data is actually held

May 2006 ISGC 7

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May 2006 ISGC 8

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com myGrid n Wish to reuse n Data n Services n Knowledge

n SofCtowmbaerechem n Practice

n Anticipated use n Unanticipated use

May 2006 ISGC 9

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1. The ambition

2. Enabling Technologies

n Grid

n Semantic Web

3. Semantic Grid

4. Are we there yet?

5. The Future

May 2006 ISGC 10

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com n An automatically processable, n On demand transparently machine understandable web constructed multi- organisational federations n Distributed knowledge and of distributed services information management n Distributed computing n Information integration middleware n Computational Integration May 2006 ISGC 11

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PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com 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 May 2006 ISGC 13

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com Layers of Languages

You are here

May 2006 ISGC 14

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Web page Any Web Resource

HTML

URI

URI URI RDF is like the web!

RDF Hendler May 2006 ISGC 15

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All influenced by RDF

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

RDF Resource Description OWL Web Ontology Framework Language

May 2006 ISGC 16

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May 2006 ISGC 17

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1. The ambition

2. Enabling Technologies

n Grid

n Semantic Web

3. Semantic Grid

4. Are we there yet?

5. The Future

May 2006 ISGC 18

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n The Grid vision is about coordinated resource sharing – virtual organisations

n Fundamentally, this means that information and knowledge in and about the system must be ‘machine processable’

n The full richness of the Grid ambition depends upon realisingthe Semantic Grid

May 2006 ISGC 19

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n 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. n 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

NB Report updated – March 2005 issue of Proceedings of the IEEE

May 2006 ISGC 20

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May 2006 ISGC 21

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com Semantic Grid

Semantic Semantic

Web Grid

Classical Classical

Web Grid

May 2006 ISGC 22

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The Semantic Grid is an extension of the current Grid in which information and services are given well-defined meaning, better enabling computers and people to work in cooperation

May 2006 ISGC 23

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com Semantics in and on the Grid

The Semantic

Grid

May 2006 ISGC 24

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com Grid is metadata based middleware 1. Portals and Workbenches Astronomy Sky Survey Data Grid 2.Knowledge & Resource 3. Metadata Data Catalog Bulk Data Management View View Analysis Analysis

Concept space Standard APIs and Protocols

4.Grid Information Metadata Data Data Security 5. Discovery delivery Discovery Delivery Caching Replication Standard Metadata format, Data model, Wire format Backup Scheduling 6. Catalog Mediator Data mediator

Catalog/Image Specific Access

7. Compute Resources Derived Collections Catalogs Data Archives

May 2006 ISGC 25

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Personal notes

results

provenance

May 2006 ISGC 26

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n RDF-based service and data registries n RDF-based metadata for experimental components n RDF-based provenance graphs n OWL based controlled vocabularies for database content n OWL based integration

May 2006 ISGC 27

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Reliability Security QoS GEODISE

PORTAL

Traceability

OPTIMISATION

APPLICATION SERVICE COMPUTATION PROVIDER Licenses and code

May 2006 ISGC 28

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e e

May 2006 ISGC 29

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subscribers users

GPRS

May 2006 ISGC 30

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n The Role of Concepts in myGrid Carole Goble n Planning and Metadata on the Computational Grid Jim Blythe n Semantic support for Grid-Enabled Design Search in Engineering Simon Cox n Knowledge Discovery and Ontology-based services on the Grid Mario Cannataro n Attaching semantic annotations to service descriptions Luc Moreau n Semantic Matching of Grid Resource Description Frameworks John Brooke n Interoperability challenges in Grid for Industrial Applications Mike Surridge n Semantic Grid and Pervasive Computing David De Roure

May 2006 ISGC 31

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n IEEE Intelligent Issue Special Issue on E-Science, Jan-Feb 2004

n De Roure, Gil, Hendler

n Challenges:

n Realisingthe network effect

n Moving beyond centralisedstores

n Automated assembly

n Collaboration tools

May 2006 ISGC 32

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n Engineering semantics: Costs and n Using the Semantic Grid to Build Benefits Cox Bridges between Museums and Indigenous Communities Schroeter n Designing Ontologies and Distributed Resource Discovery n Collaborative Tools in the Semantic Grid De Roure Services for an Earthquake Simulation Grid Pierce n The Integration of Peer-to-peer and the Grid to Support Scientific n Exploring Williams-Beuren Collaboration Syndrome Using myGrid Goble n OWL-Based Resource Discovery n Distributed Data Management and for Inter-Cluster Resource Integration Framework: The Borrowing Yoshida MobiusProject Hastings n Semantic Annotation of

n eBankUK -Linking Research Data, Computational Components Scholarly Communication and Vanderbilt Learning De Roure n Interoperability and Transformability through Semantic Annotation of a Job Description Language Hau May 2006 ISGC 33

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p2p

hybrid hybrid

May 2006 ISGC 34

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for ion NGG3 – 2005 rat ond spi ey f in d b Future for e o an urc rch European Grids: so sea ain Re GRIDsand M rid 6 G Service Oriented FP NGG2 – 2004 Knowledge Utilities

Vision and Research Requirements Directions and Options 2010 and Beyond NGG1 – 2003 for European Grids Research 2005-2010 European and Beyond Grid Research 2005 – 2010 http://www.cordis.lu/ist/grids

PDF 檔案以 "pdfFactory Pro" 試用版建立 www.pdffactory.com GNrGG2idResearchProjectsin FP6 (Call 2)

GridCoord Grid@Asia Building the ERA in Grid research Towards EU-Asian Co-operation

K-WF Grid inteliGRID Knowledge based Semantic Grid based workflow & virtual organisations collaboration Grid-basedgenericenabling application technologies to facilitate solution of industrialproblems OntoGrid UniGridS SIMDAT Knowledge Services Extended OGSA EU-drivenGridservices for the semantic Grid Implementation based Mobile Gridarchitecture on UNICORE architecture for businesS and services for dynamic and industry virtualorganisations DataminingGrid NextGRID Datamining HPC4U Akogrimo tools & services Fault tolerance, dependability for Grid European-widevirtuallaboratoryfor longer termGrid research-creatingthe foundationfor nextgenerationGrids Provenance Trust and provenance CoreGRID for Grids Specificsupport action Integratedproject Network of excellence Specifictargetedresearchproject

May 2006 ISGC 36

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Security Optimization

Data

Execution

Management

Semantic

Services

Resource management Information Management

Infrastructure Services

May 2006 ISGC 37

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Security Optimization

Semantic ProDvataisioning

Services

Execution

Management

Ontology Metadata

Semantic

Services

Resource Reasoning Annotation

management Information Management

Infrastructure Services

May 2006 ISGC 38

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1. The ambition

2. Enabling Technologies

n Grid

n Semantic Web

3. Semantic Grid

4. Are we there yet?

5. The Future

May 2006 ISGC 39

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E-Scientists Graduate Students

Reprints E-Scientists

Peer- Technical Grid Reviewed Reports Journal & Conference Preprints & Papers Metadata

Entire E-Science E-Experimentation Cycle Local Institutional Publisher Web Certified Data, Archive Experimental Holdings Metadata & Results & Ontologies Analyses May 2006 ISGC 40

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www.smarttea.org

May 2006 ISGC 41

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Ingredient List

o t

D

s

i o

L T n a

l Cool Add Add Reflux Add Reflux Cool Add Liquid- Dry Filter Remove Fuse Column liquid Solvent Chromatography P extraction by Rotary Evaporation

0.9031 grammes excess g Inorganics dissolve 2 3 of 40 ml layers. Added brine ~20ml. text

image

Weigh Measure Measure

Butanone dried via silica column and measured into 100ml RB flask. s Used 1ml extra solvent to wash out Annotate d container. s r Annotate e

o Add Cool

c Add Reflux Remove Column

c Add Reflux Cool Add Liquid- Dry Filter Fuse Solvent Chromatography text liquid (Buchner)

o Annotate e by Rotary extraction

r Annotate Evaporation Annotate R

P Measure

Weigh Weigh Measure text

Started reflux at 13.30. (Had to change heater stirrer) Only reflux text 40 ml for 45min, next step 14:15. Organics are yellow text Washed MgSO4 with solution DCM ~ 50ml 30 ml 2.0719 g 1.5918 g

Key Observation Types Future Questions

May 2006 ISGC 42

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n A social experiment!

n Existing datastoreslinked by triplestores

n 3 stores, with 70 million triples

n Chemists appreciate powerful queries and flexibility

n Metadata infrastructure is in place

May 2006 ISGC 44

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Compendium BuddySpace

Jabber Server Compendium BuddySpace

I-X Process panels I-X Process panels

KMI, AIAI May 2006 ISGC 45

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May 2006 ISGC 46

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1. The ambition

2. Enabling Technologies

n Grid

n Semantic Web

3. Semantic Grid

4. Are we there yet?

5. The Future

May 2006 ISGC 48

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1. Automated Virtual Organisation Formation and Management 2. Service Negotiation and Contracts 3. Security, Trust and Provenance 4. Metadata and Annotation 5. Content Processing and Curation 6. Knowledge Technologies 7. Design and Deploy 8. Interaction 9. Collaboration 10. Pervasive Computing

May 2006 ISGC 49

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The architecture comprisesservices which may be instantiated and assembled dynamically, hence the structure, behaviour and location of software is changing at run-time

Services are knowledge- A utility is a directly and assisted (‘semantic’) to immediately useable facilitate automation and service with established advanced functionality, functionality, the knowledge aspect performance and reinforced by the dependability, emphasis on delivering illustrating the emphasis high level services to the on user needs and user issues such as trust

May 2006 ISGC 50

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Methodologies Service Oriented Architecture Grid StatefulService Utility Agent Technologies Autonomic StatefulService Utility Semantics Societal Autonomic StatefulService Utility Heuristics Knowledge-aware Societal Autonomic StatefulService Utility Formal Languages Reliable Knowledge-aware Societal Autonomic StatefulService Utility = SOKU Next Generation Grids and SOKU May 2006 ISGC 51

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The primary difference to earlier approaches is a switch from a prescribed layered view to a multi- dimensional mesh of concepts, applying the same mechanisms along each dimension across the traditional layers.

May 2006 ISGC 52

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1. Enterprise

n illustrates the power of the virtualisation and interoperability provided by Grids and SOKU within the enterprise context

2. End-user

n shows the role of Grid in delivering public information services (‘knowledge utilities’) which respect ownership and privacy issues

3. Manufacturing/Industrial

n shows how these approaches benefit collaborative processes within industry

May 2006 ISGC 53

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Future for European Grids: GRIDs and Service Oriented Knowledge Utilities – Vision and Research Directions 2010 and Beyond, December 2006

Driving End-User – Business/Enterprise –Manufacturing/Industrial Scenarios

s s e y s s t t u i e e y n l i d s n i t e s n e

i g n

y s o l

b h

Research s e I t i i d

a c t o

i

m e t a e i

l v l

Topics l f l y t b n i t i e c s t d n a g o c x a o a n i s r t n s b a g

t e n r n n y e l a r t a e a i r o a a t p e t i O c u l h t e s v s a n n m a s c p i r e c a m c c V v u

f a o u e a w d b e o e c e r e a i e n P C A H F S T S i A S D S T L M R L A

NGG1&NGG2 vision and

Open Reliable Scalable Persistent Transparent Person-centric

Pervasive Secure / trusted research challenges Standards-based

Next

Generation Research Themes Grids Next Generation Virtual Grid(s) User Organisation Interface Systems Management Grid Economies Co-ord. and orchestration Business models Information representation

May 2006 ISGC 54

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1. The Semantic Grid Vision has been explored through many e-Science projects and beyond

2. Best practice is emerging; e.g. the Semantic Datagrid

3. We are working on solutions to problems that the Grid community is about to have… e.g. Service discovery and composition e.g. Intergridthrough Semantic Workflow

May 2006 ISGC 55

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n David De Roure University of Southampton, UK [email protected]

n Carole Goble University of Manchester, UK [email protected]

n See www.semanticgrid.org

May 2006 ISGC 56

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