Presentation Open Access
<?xml version='1.0' encoding='utf-8'?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:adms="http://www.w3.org/ns/adms#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dct="http://purl.org/dc/terms/" xmlns:dctype="http://purl.org/dc/dcmitype/" xmlns:dcat="http://www.w3.org/ns/dcat#" xmlns:duv="http://www.w3.org/ns/duv#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:frapo="http://purl.org/cerif/frapo/" xmlns:geo="http://www.w3.org/2003/01/geo/wgs84_pos#" xmlns:gsp="http://www.opengis.net/ont/geosparql#" xmlns:locn="http://www.w3.org/ns/locn#" xmlns:org="http://www.w3.org/ns/org#" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:prov="http://www.w3.org/ns/prov#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:schema="http://schema.org/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:vcard="http://www.w3.org/2006/vcard/ns#" xmlns:wdrs="http://www.w3.org/2007/05/powder-s#"> <rdf:Description rdf:about="https://doi.org/10.5281/zenodo.3433276"> <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/> <dct:type rdf:resource="http://purl.org/dc/dcmitype/Text"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.5281/zenodo.3433276</dct:identifier> <foaf:page rdf:resource="https://doi.org/10.5281/zenodo.3433276"/> <dct:creator> <rdf:Description rdf:about="http://orcid.org/0000-0001-7424-5439"> <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0001-7424-5439</dct:identifier> <foaf:name>Tang, Yu-Hang</foaf:name> <foaf:givenName>Yu-Hang</foaf:givenName> <foaf:familyName>Tang</foaf:familyName> <org:memberOf> <foaf:Organization> <foaf:name>Lawrence Berkeley National Laboratory</foaf:name> </foaf:Organization> </org:memberOf> </rdf:Description> </dct:creator> <dct:title>Learning with Graph Kernels in the Chemical Universe</dct:title> <dct:publisher> <foaf:Agent> <foaf:name>Zenodo</foaf:name> </foaf:Agent> </dct:publisher> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2019</dct:issued> <dcat:keyword>machine learning</dcat:keyword> <dcat:keyword>graph</dcat:keyword> <dcat:keyword>active learning</dcat:keyword> <dcat:keyword>molecular prediction</dcat:keyword> <dcat:keyword>computational chemistry</dcat:keyword> <dcat:keyword>kernel</dcat:keyword> <dcat:keyword>similarity</dcat:keyword> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2019-08-08</dct:issued> <owl:sameAs rdf:resource="https://zenodo.org/record/3433276"/> <adms:identifier> <adms:Identifier> <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://zenodo.org/record/3433276</skos:notation> <adms:schemeAgency>url</adms:schemeAgency> </adms:Identifier> </adms:identifier> <dct:isVersionOf rdf:resource="https://doi.org/10.5281/zenodo.3364077"/> <dct:description><p>Presentations slides of <a href="https://crd.lbl.gov/departments/computational-science/ccmc/staff/alvarez-fellows/yu-hang-tang/">Yu-Hang Tang</a>&nbsp;on application of active machine learning and graph kernels. The talk also features the release of the <a href="https://pypi.org/project/graphdot/">GraphDot</a> library.</p></dct:description> <dct:description>{"references": ["Tang, Y. H., & de Jong, W. A. (2019). Prediction of atomization energy using graph kernel and active learning. The Journal of chemical physics, 150(4), 044107. https://doi.org/10.1063/1.5078640"]}</dct:description> <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/PUBLIC"/> <dct:accessRights> <dct:RightsStatement rdf:about="info:eu-repo/semantics/openAccess"> <rdfs:label>Open Access</rdfs:label> </dct:RightsStatement> </dct:accessRights> <dcat:distribution> <dcat:Distribution> <dct:license rdf:resource="https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode"/> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.3433276"/> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL>https://doi.org/10.5281/zenodo.3433276</dcat:accessURL> <dcat:byteSize>1466577</dcat:byteSize> <dcat:downloadURL>https://zenodo.org/record/3433276/files/Graph-Kernels-Chemical-Universe.pdf</dcat:downloadURL> <dcat:mediaType>application/pdf</dcat:mediaType> </dcat:Distribution> </dcat:distribution> </rdf:Description> </rdf:RDF>
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