UKOLN is supported by: From research data to new knowledge: a lifecycle approach. Dr Liz Lyon, Director UKOLN, University of Bath, UK JISC/SURF/CNI Conference May 2005, Amsterdam. a centre of expertise in digital information management

JISC/SURF/CNI Conference May Overview 1.Scholarly communications in flux 2.e-Research and the diversity of data 3.Repositories & meta-functionality Realising the link to learning: eBank UK Providing value-added services Enabling knowledge extraction & post- processing 4.Look at (some of) the issues en route

1. Scholarly communications in flux

JISC/SURF/CNI Conference May A medieval scriptorium…..

JISC/SURF/CNI Conference May Research & e-Science workflows Aggregator services: national, commercial Repositories : institutional, e-prints, subject, data, learning objects Harvesting metadata Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Deposit / self- archiving Peer-reviewed publications: journals, conference proceedings Publication Validation Data analysis, transformation, mining, modelling Searching, harvesting, embedding Presentation services: subject, media-specific, data, commercial portals Resource discovery, linking, embedding The scholarly knowledge cycle. Liz Lyon, Ariadne, July 2003.

JISC/SURF/CNI Conference May Learning & Teaching workflows Aggregator services: national, commercial Repositories : institutional, e-prints, subject, data, learning objects Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules Harvesting metadata Resource discovery, linking, embedding Peer-reviewed publications: journals, conference proceedings Validation Resource discovery, linking, embedding Deposit / self- archiving Learning object creation, re-use Searching, harvesting, embedding Quality assurance bodies Validation Presentation services: subject, media-specific, data, commercial portals

JISC/SURF/CNI Conference May Learning & Teaching workflows Research & e-Science workflows Aggregator services: national, commercial Repositories : institutional, e-prints, subject, data, learning objects Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules Harvesting metadata Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Resource discovery, linking, embedding Deposit / self- archiving Peer-reviewed publications: journals, conference proceedings Publication Validation Data analysis, transformation, mining, modelling Resource discovery, linking, embedding Deposit / self- archiving Learning object creation, re-use Searching, harvesting, embedding Quality assurance bodies Validation Presentation services: subject, media-specific, data, commercial portals Resource discovery, linking, embedding

2. e-Research and the diversity of data

JISC/SURF/CNI Conference May Assuring permanent open access to the records of science & the humanities? Long term access to primary data Increasing data volumes from eScience and Grid-enabled / cyberinfrastructure applications Changing research paradigm: data-driven science, big science Observational data, simulations, large-scale experimentation, computations Multi-media resources, statistical data, surveys, geo-spatial data……

JISC/SURF/CNI Conference May Diversity of data collections Very large, relatively homogeneous: Large-scale Hadron Collider (LHC) outputs from CERN Smaller, heterogeneous and richer collections: World Data Centre for Solar-terrestrial Physics CCLRC Small-scale laboratory results: jumping robots project at the University of Bath Population survey data: UK Biobank Highly sensitive, personal data: patient care records

JISC/SURF/CNI Conference May Taxonomy of data collections Research collections: jumping robots Community collections: Flybase at Indiana (with UC Berkeley ) Reference collections: Protein Data Bank Source: NSF Long-Lived Digital Data Collections Draft report March 2005

JISC/SURF/CNI Conference May Taxonomy of data collections Research collections: jumping robots Community collections: Flybase at Indiana (with UC Berkeley ) Reference collections: Protein Data Bank Source: NSF Long-Lived Digital Data Collections Draft report March 2005 Evolution……

JISC/SURF/CNI Conference May Repository evolution: 1971 Research collection <12 files 2005 Reference collection >2700 structures deposited in 6 months

JISC/SURF/CNI Conference May Issues: research data as content Sharing it! Data diversity –Homo- or heterogeneous –Raw and derived / processed –Sensitivity –Fast or slow growth in volume Repository evolution: –Likelihood to scale up (from bytes to petabytes) –Quality assurance (from the start) –Community-based standards development (folksonomies) –Build robust services

3. Repositories & meta-functionality

JISC/SURF/CNI Conference May eBank UK: linking research data to learning JISC-funded September 2003, Phase 2 February 2005 UKOLN at the University of Bath (lead), University of Southampton, University of Manchester Exemplar: e-Science testbed Combechem –Grid-enabled combinatorial chemistry –Crystallography, laser and surface chemistry examples –Development of an e-Lab using pervasive computing technology –National Crystallography Service Resource Discovery Network / PSIgate physical sciences portal

JISC/SURF/CNI Conference May Learning & Teaching workflows Research & e-Science workflows Aggregator services: eBank UK Repositories : institutional, e-prints, subject, data, learning objects Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules Harvesting metadata Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Resource discovery, linking, embedding Deposit / self- archiving Peer-reviewed publications: journals, conference proceedings Publication Validation Data analysis, transformation, mining, modelling Resource discovery, linking, embedding Deposit / self- archiving Learning object creation, re-use Searching, harvesting, embedding Quality assurance bodies Validation Presentation services: subject, media-specific, data, commercial portals Resource discovery, linking, embedding

JISC/SURF/CNI Conference May Data Flow in eBank UK OAI-PMH Submit Store/link Harvest (XML) Index and Search Data files Metadata present HTML present HTML Institutional repository eBank aggregator Create

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

JISC/SURF/CNI Conference May

JISC/SURF/CNI Conference May The digital repository ecrystals.chem.soton.ac.uk Acknowledgement: Simon Coles

JISC/SURF/CNI Conference May Access to the underlying data

JISC/SURF/CNI Conference May Harvesting: OAIster

JISC/SURF/CNI Conference May Aggregating: search & discover

JISC/SURF/CNI Conference May Linking to publications

JISC/SURF/CNI Conference May eBank embedded in a science portal

JISC/SURF/CNI Conference May eBank Phase 2: linking to learning Embedding in e-Learning processes Evaluating the pedagogical benefits – MChem course – Chemical informatics course

JISC/SURF/CNI Conference May Issues: generic data models, metadata schema & terminology Validation against other schema –CCLRC Scientific Data Model Vs 2 Complex digital objects and packaging options –METS –MPEG 21 DIDL Terminologies –Domain: crystallography –Inter-disciplinary e.g. biomaterials –Metadata enhancement: subject keyword additions to datasets based on knowledge of keywords in related publications –Meaningful resource discovery?

JISC/SURF/CNI Conference May Issues: linking and identifiers Links to individual datasets within an experiment Links to all datasets associated with an experiment or a data collection Links to derived eprints and published literature Context sensitive linking: find me –Datasets by this author / creator –Datasets related to this subject –Learning objects by this author / creator –Learning objects related to this subject Identifiers and persistence –generic –domain: International Chemical Identifier (InChI code) Resource discovery : Google Scholar? Provenance: authenticity, authority, integrity?

JISC/SURF/CNI Conference May Issues: embedding and workflow Into the crystallographic publishing community International Union of Crystallography Into the chemistry research workflow –SMART TEA Digital Lab Book e-synthesis Lab –Other analytical techniques and instrumentation Into the curriculum and e-Learning workflows –MChem course –Undergraduate Chemical Informatics courses

JISC/SURF/CNI Conference May For later use? In use now (and the future)? Repositories and digital curation Data preservationData curation StaticDynamic maintaining and adding value to a trusted body of digital information for current and future use

JISC/SURF/CNI Conference May Provide value-added services Annotation e-Lab books (Smart Tea Project in chemistry) Gene and protein sequences

JISC/SURF/CNI Conference May Enable post-processing and knowledge extraction The acquisition of newly-derived information and knowledge from repository content Run complex algorithms over primary datasets Mining (data, text, structures) Modelling (economic, climate, mathematical, biological) Analysis (statistical, lexical, pattern matching, gene) Presentation (visualisation, rendering)

JISC/SURF/CNI Conference May

JISC/SURF/CNI Conference May Issues: knowledge services Layered over repositories –Annotation –Mining, modelling, analysis –Visualisation Across multiple repositories –Grid enabled applications –Highly distributed, dynamic and collaborative Associated with curatorial responsibility –UK Digital Curation Centre

JISC/SURF/CNI Conference May Issues summary 1.Research data is diverse, increasing rapidly in volume and complexity 2.Repository collections are dynamic and evolve 3.Technical challenges associated with interoperability, persistence, provenance, resource discovery and infrastructure provision 4.Embedding in workflow is critical: scholarly communications, research practice, learning 5.Knowledge extraction tools will generate new discoveries based on repository content 6.Repository solutions must scale: M2M processing will become the norm……