Materials Registry Working Group Meeting...• Clare Paul – Air Force Research Laboratory •...
Transcript of Materials Registry Working Group Meeting...• Clare Paul – Air Force Research Laboratory •...
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MaterialsRegistryWorkingGroupMeeting
ChandlerBeckerandRayPlante
Sharief Youssef,AldenDima,ZacharyTrautt,KimberlyTryka,RobertHanisch,JimWarren,MaryBrady
NationalInstituteofStandardsandTechnology
LauraBartoloNorthwesternUniv.
RDAPlenary,15Sept2016
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CurrentWGmembers(9/13/16)
• BrianMatthews– ScienceandTechnologyFacilities
Council• ChandlerBecker
– NationalInstituteofStandardsandTechnology
• ClarePaul– AirForceResearchLaboratory
• DeborahMies– Granta Design,Ltd.
• Haiqing Yin– BeijingUniv.ofScienceandTech.
• JamesWarren– NationalInstituteofStandardsand
Technology• KathleenFontaine
– RochesterPolytechnicInstitute(RDA)• LauraBartolo
– NorthwesternUniv.
• RaphaelRitz– MaxPlanckSociety,Garching
• RaymondPlante– NationalInstituteofStandardsand
Technology• RobertHanisch
– NationalInstituteofStandardsandTechnology
• Sharief Youssef– NationalInstituteofStandardsand
Technology• TobiasWeigel
– GermanClimateComputingCenter(DKRZ)
• Vasily Bunakov– ScienceandTechnologyFacilities
Council• ZacharyTrautt
– NationalInstituteofStandardsandTechnology
Sayafewwordsaboutyourproject.
Anynewpeoplewhohaven’tjoinedyet?
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Overview
• MotivationforWGandrelatedefforts• Summaryoftimelinefromcasestatement• ProposedactivitiesandtopicstoaddressinWG
• NISTpiloteffort• Thoughtsonhowtoproceed,followedbydiscussion
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Motivationfortheworkinggroup
• Manymaterialsresourcesexist(datasets,websites,repositories,registries,etc.),andthenumberisgrowing.
• Howcanwelinktheminawaythatmakesiteasiertofindandsharerelevantinformationanddata?
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Startbycreatingcatalogsofresources
Hostedinmanydifferentlocationswithdiversecontent
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Thenconnectthem
Viadata- andinformation-sharingprotocols
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Whatisaregistry?
• Registryisacatalogcontainingdescriptionsofresources* thatareusefulfor(materialsscience)data-drivenresearch* Mainlydatasets,databases,anddataservices* Canalsobeportals,software,organizations,…
• Astartingpointfordiscovering usefuldataandtools– Bymakingthemetadatadescriptionssearchable– Candirectuserstothewebsitesthathostthedata
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Connectedcatalogs
Turninto…
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BuildingaRegistryFederation• Whatdoesfederationmean?
– Comprisedofanetworkofregistries;thereisnosingleRegistryAnyregistrycancollectaglobally-comprehensivecollectionofresourcedescriptionsandmakeitsearchable
– ResourcemetadataexchangeThereacommonmechanism(s)forsharingdescriptionsofavailabledataresources
– AllowlocalmetadatacurationAnyorganizationcanrunregistryoftheirowndataresourcesandshareitwiththeworld
• Whyfederate?– Distributemetadatacuration
Allowexpertswhoprovide/operatedataresourcestomanagehowtheyaredescribed,updatedescriptionsastheyevolve
– Nosinglepointoffailure(includingfundingfailure)– Allowinnovationinprovidingsearchcapabilities
• Howdowefederate?– Commonmetadataexchangemechanism
WeproposestartingwithOAI-PMH– Commonmetadataschema
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ARegistryFederation
Local PublishingRegistry
FullSearchableRegistry
FullSearchableRegistry
DataCenters
harvest(pull)
Local PublishingRegistry
Portal
Dataset
Database
Dataset
Portal
Database
Small DataProviders
Dataset
Dataset
Dataset
e.g.operatedbyNIST
e.g.operatedby MaterialsDataFacility
MaterialsProject
NOMAD
DataRepository
MDF
datacollections
manualentry
harvest(pull)
Keyfeatures:- Networked(robustness)- Exchangelocallycuratedmetadata- Supportsearchanddiscovery
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WantThis…
Commonprotocols
Mappingsbetweencontentandapproachesofdifferentprojects
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NotThis…
Lotsofincompatibleresourcesandcatalogs
Confusion,frustration,dataloss,missedopportunity
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Words,words,words
• Forthistowork,weneedwordsthatdescribetheresources beingregistered
• Sometermsaregeneric(basedonDublinCore(dublincore.org)):– Organization– Contactinformation– Accessmethodsandlocations
• Butothershavetobedomain- (i.e.,materials-)specific
• Notthecompletemetadatarequiredtofullydocumentthedataintheresource
• Wanttobeuser-friendly,whichcurrentlymeansselectingfromarelativelylimitedlistofhigh-leveltermsandusingsearchablefreetext
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ResourceConceptModel
• AResource is– Athingwewanttodescribeanddiscover– Anidentified,described,anddiscoverablecomponentofthedistributed
dataenvironment– Differenttypesofresources
(somecanbeofmultipletypessimultaneously)– Modelimpliessomecommonmetadata,eachsubtypecanadd
additionalmetadata
What kinds of Resources do we want to share and discover?
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CategoriesofResourceMetadata
• Identity -- howwerecognizeit• Role – whattypeofResourceisit• Publication -- whoisresponsible• Content -- whatitisabout• Access -- howtogetatit• Applicability -- howitappliestodifferentdomains– Canhavemultipleentries,eachcontainingmetadataspecifictoadifferentdomain
– IncludeasectionforMaterialsSciencemetadata
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MetadataExchange:Formats
• Format:Howtoencodemetadata• Commonencodingmechanismscurrentlyinuse:
– XML(asdefinedbyXMLSchema)• recommendedforWGdeliverable
– JSON(asdefinedbyJSONSchema)– JSON-LD
• WorkatNIST:interoperabilitybetweentheseformats– Bestpracticesfordefineformatschemas– Providestechnicalmechanismforsupportingextensibility– Enablewell-definedmechanismstoconvertbetween– https://github.com/usnistgov/mgi-resmd
• Collaborationonschemawelcome– GeneralResourcemetadata,formatting(viaSchema)– MaterialsScience-specificmetadata
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TechnicalCollaboration
• “Entry-level”involvement– Describeyourresourcesatoneofthecommunityregistries
• Contributetometadataschemadevelopment• Operatearegistryforyourorganization– CanrunaninstanceoftheNISTMRRapplication– Goodifyouhavealargernumberofrecordstoshare– Canconnecttoyourlocalmetadatainfrastructure
• Createyourownregistryapplication– Supportexchangeformat– SupportOAI-PMH;helpsetprofile– Prototypealternateexchangemechanisms
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“DoIhavetogiveyoumydata?”
• NO.
• ThedatacanbehostedsomewhereandanentryaddedtotheNMRR(oranotherinstance)topointtowherethedataisandhowtoaccessit.
• Companies,universities,otheragencies,professionalsocieties,etc.,areallwelcometoparticipate,maintainingcontroloverhowtheirdataisstoredandaccessed.
• Greatvaluetosmallerprojectsandtargetedcollections
• WearereadytostarttestingmetadataexchangeviaOAI-PMH
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IntentforNISTregistryinstances
• Workwithotherstoimprovedatasharinganddiscoverythroughafederatedsystem
• Possible“registryofregistries”tofacilitateaccessacrossmultipleregistriesandinstitutions
• EventuallyprimarilyhaverecordsforNIST-specificresources(projects,data,software,etc.)
• HostfocusedregistryinstancesforparticularapplicationsinwhichNISTworksorhasaninterest
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Workinggroupoverview
• CasestatementsubmittedJan.2016
• Proposedtimelineof12-18monthsforapilotmaterialsresourceregistrysystem
• ApprovedJuly2016– thusdatesarenowshiftedbacksixmonthsfromtheoriginalproposal
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Fulltimeline• Month1(Jul’16)
– recruitdomainspecialiststoparticipateinWG• Month2(Aug/Sep’16)
– initiatediscussionsaboutconductingasurveyofexistingmaterialssciencedataproviders– develop20typicaldatadiscoveryqueriestoinformmetadatadiscussions
• Month3(Sep/Oct’16)– holdmeetingtodraft1st versionofmetadataextensionstoDublinCore
• Months4-8(Oct‘16-Feb’17)– disseminatedrafttothematerialssciencecommunity,bothwithinandexternaltoRDA,and
solicitfeedback• Month8(Feb’17)
– holdsecondtwo-daymeetingtorefinemetadataextensionsandestablishimplementationpilotprogram
– E.g.,NMRR,MDF,othersTBDwithinWG• Months9-12(Mar– Jun’17)
– implementpilotfederatedregistryandrecruittesters/evaluators– evaluategranularityissues– writebestpracticesguidelinesdocument
• Months13-15(Jul– Sep’17)– finetunemetadatadefinitionsanddocumentmetadatadevelopmentprocess:whatworked
well,whatdidn’t– expandcontentofpilotregistry
• Months16-18(Oct– Dec ’17)– Prepare finaldocumentfordelivery toRDA
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Deliverables
• TwomaindeliverablesforWG:1. Reportcontainingmaterialsmetadataextensions
toDublinCore2. Pilotwithconnectedregistriestodemonstrate
harvesting
• Plussmalleritemsalongtheway(meetings,drafts,etc.)
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Wherearewe?
• WGhasbeencreatedwithaninitialrosterofmembers
• Atthismeeting,weareidentifyingknowneffortsanddiscussingmaterialssciencequeries
• Needtodeterminemechanismanddateofnextmeeting.Telecon?Partofanexistingmeeting(e.g.,CHiMaD)?
• Needtoplanmeetingforapprox.March2017
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Identificationofexistingefforts
• Registriesandprojectswithdatasharingenabled– E.g.,nanoHUB,MaterialsDataFacility,NoMaD,NIMS,Citrine,+?
• Ontologies,vocabularies,etc.– CollectitemsonWGwikipageforthiseffort?– XML-basedschemarepositoryunderdevelopment
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Previouswordplay work
• Someschemas,vocabularies,andontologies– MatML,ThermoML,Plinius ontology,Ashino ontology,MatOnto,
PREMLP,ONTORULE(steels),SLACKS,MatOWL,matvocab– Nicereviewarticle:
• X.Zhang,C.Zhao,andX.Wang,ComputersinIndustry,73(2015)8-22.
• Covervariousareasbutnoteverything
• Somearebeingdeveloped(atalllevels),othersaredormant
• Othersareproprietaryorhaven’tbeenpubliclyreleased
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Exampleeffort:NISTpilot
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NISTMaterialsResourceRegistry
• Generalmaterialsscienceresources– ~70resourcesatthemoment;
workingtomigrateothersfromtheMGIcodecatalog
• Intendedtointeractwithotherregistriesthataremorefocusedand/orhousedatotherinstitutions
• OAI-PMHprotocolenabled,builtontheMaterialsDataCuration Systemplatform– CodeonGitHub– Butdon’trequireothers
tousethesamesoftware!
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BrowseRegisteredResources
Linkstoregisteredresources andmoreinformation
Differenttypesofresources,including:• Organizations• Collections• Services• Software
Changewhichfieldsaredisplayed
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SearchforresourcesAllmetadatatextissearchable
MovingtowardresourcesconnectedbymetadataharvestingprotocolssuchasOAI-PMH
Forexample:- Materialsdatafacility- Instanceshostedby
universitiesorprofessionalsocieties
- OtherimplementationsthatuseOAI-PMHbutdifferentcode
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GetMoreInformationDetailedinformationaboutresources,including
• whocreatedthem• whomaintainsthem• whattheycontain• howtoaccessthem
Pluslinkstotheresourcesthemselves
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Experimental&computational
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AddaResource
BuiltontheMaterialsDataCuration Systemsoftware,butwithaspecializedschemaandinterface
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SeedNMRRmetadatafieldsVersion1.ThesewillchangebasedonWGefforts!
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Workinggroupactivities
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WGitemsfordiscussion
• CommonlocationforourworkonRDAWGwebsite
• Identificationofexistingprojectsandresources.Whatothereffortsarerepresentedhere?
• Identificationofvocabs/ontologies/etc.• Identificationoftechnicalissues• Planningforfollow-upmeetingsandactivities• Identificationofvolunteersandinterestedpeople
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Whatdoyouwanttoshareorbeabletofind?Whatdatasharingeffortsareunderway?
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Samplequeries
• Al6065mechanicalproperties• EnvironmentaldegradationdataforPEinhumidity• Finiteelementmodelsofturbineblades• OpticalmicrographsofgammaphasesinNi3Al• CompoundformationenergiesforB2-NiAl• Sinteringtemperaturesforzirconiapowders• DielectricpropertiesforGaAs• Calphad modelsofInGaAs andrelatedmaterials• Dataforxalloyprocessedwithymethodandanalyzedwithzequipment
• …
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AdditionalQueries?
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RDAwebsites
• Interestgroup– https://rd-alliance.org/groups/rdacodata-materials-data-infrastructure-interoperability-ig.html
• Workinggroup– https://rd-alliance.org/groups/working-group-international-materials-resource-registries.html
• Casestatement– https://rd-alliance.org/group/international-materials-resource-registries-wg/case-statement/case-statement-rda-working-group