{"id":"https://openalex.org/W3023153194","doi":"https://doi.org/10.3233/apc200105","title":"Replicating Machine Learning Experiments in Materials Science","display_name":"Replicating Machine Learning Experiments in Materials Science","publication_year":2020,"publication_date":"2020-01-01","ids":{"openalex":"https://openalex.org/W3023153194","doi":"https://doi.org/10.3233/apc200105","mag":"3023153194"},"language":"en","primary_location":{"id":"doi:10.3233/apc200105","is_oa":true,"landing_page_url":"https://doi.org/10.3233/apc200105","pdf_url":"https://ebooks.iospress.nl/pdf/doi/10.3233/APC200105","source":{"id":"https://openalex.org/S4210175178","display_name":"Advances in parallel computing","issn_l":"0927-5452","issn":["0927-5452","1879-808X"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"book series"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advances in Parallel Computing","raw_type":"book-chapter"},"type":"book-chapter","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://ebooks.iospress.nl/pdf/doi/10.3233/APC200105","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5044729983","display_name":"Line Pouchard","orcid":"https://orcid.org/0000-0002-2120-6521"},"institutions":[{"id":"https://openalex.org/I200870766","display_name":"Brookhaven National Laboratory","ror":"https://ror.org/02ex6cf31","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I200870766","https://openalex.org/I39565521","https://openalex.org/I4210142672"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Pouchard Line","raw_affiliation_strings":["Brookhaven National Laboratory, Upton, NY 11973-5000"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brookhaven National Laboratory, Upton, NY 11973-5000","institution_ids":["https://openalex.org/I200870766"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027105734","display_name":"Yuewei Lin","orcid":"https://orcid.org/0000-0002-1429-4543"},"institutions":[{"id":"https://openalex.org/I200870766","display_name":"Brookhaven National Laboratory","ror":"https://ror.org/02ex6cf31","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I200870766","https://openalex.org/I39565521","https://openalex.org/I4210142672"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lin Yuewei","raw_affiliation_strings":["Brookhaven National Laboratory, Upton, NY 11973-5000"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brookhaven National Laboratory, Upton, NY 11973-5000","institution_ids":["https://openalex.org/I200870766"]}]},{"author_position":"last","author":{"id":null,"display_name":"Van Dam Hubertus","orcid":null},"institutions":[{"id":"https://openalex.org/I200870766","display_name":"Brookhaven National Laboratory","ror":"https://ror.org/02ex6cf31","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I200870766","https://openalex.org/I39565521","https://openalex.org/I4210142672"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Van Dam Hubertus","raw_affiliation_strings":["Brookhaven National Laboratory, Upton, NY 11973-5000"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brookhaven National Laboratory, Upton, NY 11973-5000","institution_ids":["https://openalex.org/I200870766"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5044729983"],"corresponding_institution_ids":["https://openalex.org/I200870766"],"apc_list":null,"apc_paid":null,"fwci":2.9957,"has_fulltext":true,"cited_by_count":9,"citation_normalized_percentile":{"value":0.91488957,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12535","display_name":"Machine Learning and Data Classification","score":0.9703999757766724,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10260","display_name":"Software Engineering Research","score":0.9686999917030334,"subfield":{"id":"https://openalex.org/subfields/1710","display_name":"Information Systems"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/reproducibility","display_name":"Reproducibility","score":0.7237446308135986},{"id":"https://openalex.org/keywords/hyperparameter","display_name":"Hyperparameter","score":0.698243260383606},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6981071829795837},{"id":"https://openalex.org/keywords/metric","display_name":"Metric (unit)","score":0.6655506491661072},{"id":"https://openalex.org/keywords/randomness","display_name":"Randomness","score":0.6604855060577393},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5702544450759888},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.5649240016937256},{"id":"https://openalex.org/keywords/transparency","display_name":"Transparency (behavior)","score":0.5459401607513428},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.524139940738678},{"id":"https://openalex.org/keywords/sensitivity","display_name":"Sensitivity (control systems)","score":0.5023250579833984},{"id":"https://openalex.org/keywords/informatics","display_name":"Informatics","score":0.47737452387809753},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3227244019508362},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1504124104976654},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.11121734976768494},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.10545757412910461}],"concepts":[{"id":"https://openalex.org/C9893847","wikidata":"https://www.wikidata.org/wiki/Q1425625","display_name":"Reproducibility","level":2,"score":0.7237446308135986},{"id":"https://openalex.org/C8642999","wikidata":"https://www.wikidata.org/wiki/Q4171168","display_name":"Hyperparameter","level":2,"score":0.698243260383606},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6981071829795837},{"id":"https://openalex.org/C176217482","wikidata":"https://www.wikidata.org/wiki/Q860554","display_name":"Metric (unit)","level":2,"score":0.6655506491661072},{"id":"https://openalex.org/C125112378","wikidata":"https://www.wikidata.org/wiki/Q176640","display_name":"Randomness","level":2,"score":0.6604855060577393},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5702544450759888},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.5649240016937256},{"id":"https://openalex.org/C2780233690","wikidata":"https://www.wikidata.org/wiki/Q535347","display_name":"Transparency (behavior)","level":2,"score":0.5459401607513428},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.524139940738678},{"id":"https://openalex.org/C21200559","wikidata":"https://www.wikidata.org/wiki/Q7451068","display_name":"Sensitivity (control systems)","level":2,"score":0.5023250579833984},{"id":"https://openalex.org/C191630685","wikidata":"https://www.wikidata.org/wiki/Q4027615","display_name":"Informatics","level":2,"score":0.47737452387809753},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3227244019508362},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1504124104976654},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.11121734976768494},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.10545757412910461},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C21547014","wikidata":"https://www.wikidata.org/wiki/Q1423657","display_name":"Operations management","level":1,"score":0.0},{"id":"https://openalex.org/C24326235","wikidata":"https://www.wikidata.org/wiki/Q126095","display_name":"Electronic engineering","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.3233/apc200105","is_oa":true,"landing_page_url":"https://doi.org/10.3233/apc200105","pdf_url":"https://ebooks.iospress.nl/pdf/doi/10.3233/APC200105","source":{"id":"https://openalex.org/S4210175178","display_name":"Advances in parallel computing","issn_l":"0927-5452","issn":["0927-5452","1879-808X"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"book series"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advances in Parallel Computing","raw_type":"book-chapter"},{"id":"pmh:oai:osti.gov:1608437","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1608437","pdf_url":"https://www.osti.gov/servlets/purl/1608437","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:osti.gov:1635098","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1635098","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"doi:10.3233/apc200105","is_oa":true,"landing_page_url":"https://doi.org/10.3233/apc200105","pdf_url":"https://ebooks.iospress.nl/pdf/doi/10.3233/APC200105","source":{"id":"https://openalex.org/S4210175178","display_name":"Advances in parallel computing","issn_l":"0927-5452","issn":["0927-5452","1879-808X"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"book series"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advances in Parallel Computing","raw_type":"book-chapter"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1285306620","display_name":null,"funder_award_id":"SC0012704","funder_id":"https://openalex.org/F4320338289","funder_display_name":"Brookhaven National Laboratory"},{"id":"https://openalex.org/G1868695577","display_name":null,"funder_award_id":"No. DE-SC0012704","funder_id":"https://openalex.org/F4320338289","funder_display_name":"Brookhaven National Laboratory"},{"id":"https://openalex.org/G3850097093","display_name":null,"funder_award_id":"No. DE-SC0012704","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G468147483","display_name":null,"funder_award_id":"DE-SC0012704","funder_id":"https://openalex.org/F4320337506","funder_display_name":"Advanced Scientific Computing Research"},{"id":"https://openalex.org/G4920325777","display_name":null,"funder_award_id":"DE-SC0012704","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G5417557083","display_name":null,"funder_award_id":"Contract No. DE-SC0012704","funder_id":"https://openalex.org/F4320338289","funder_display_name":"Brookhaven National Laboratory"},{"id":"https://openalex.org/G5443159500","display_name":null,"funder_award_id":"DE-SC0012704","funder_id":"https://openalex.org/F4320338289","funder_display_name":"Brookhaven National Laboratory"},{"id":"https://openalex.org/G5633341255","display_name":null,"funder_award_id":"No. DE-SC0012704","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6357584807","display_name":null,"funder_award_id":"SC0012704","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6733788163","display_name":null,"funder_award_id":"Contract No. DE-SC0012704","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G7463374569","display_name":null,"funder_award_id":"SC0012704","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G7642226822","display_name":null,"funder_award_id":"DE-SC0012704","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7957492830","display_name":null,"funder_award_id":"Contract No. DE-SC0012704","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8507555484","display_name":null,"funder_award_id":"DE-SC0012704","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337506","display_name":"Advanced Scientific Computing Research","ror":"https://ror.org/0012c7r22"},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"},{"id":"https://openalex.org/F4320338289","display_name":"Brookhaven National Laboratory","ror":"https://ror.org/02ex6cf31"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3023153194.pdf","grobid_xml":"https://content.openalex.org/works/W3023153194.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W1965092590","https://openalex.org/W1971275758","https://openalex.org/W1992985800","https://openalex.org/W1999798000","https://openalex.org/W2046412723","https://openalex.org/W2049996223","https://openalex.org/W2058363175","https://openalex.org/W2080635178","https://openalex.org/W2114704115","https://openalex.org/W2117363206","https://openalex.org/W2143061492","https://openalex.org/W2151220474","https://openalex.org/W2278970271","https://openalex.org/W2322373233","https://openalex.org/W2346180883","https://openalex.org/W2347129741","https://openalex.org/W2469732900","https://openalex.org/W2754517384","https://openalex.org/W2757533756","https://openalex.org/W2788572835","https://openalex.org/W2919115771","https://openalex.org/W2944196828","https://openalex.org/W2971890617","https://openalex.org/W2979795026","https://openalex.org/W4232414218","https://openalex.org/W4249528159","https://openalex.org/W4288400169","https://openalex.org/W6744123322"],"related_works":["https://openalex.org/W4295309597","https://openalex.org/W4210794429","https://openalex.org/W4223456145","https://openalex.org/W4309113015","https://openalex.org/W3199608561","https://openalex.org/W4283697347","https://openalex.org/W4295681619","https://openalex.org/W3014815208","https://openalex.org/W4298144215","https://openalex.org/W4375930479"],"abstract_inverted_index":{"Transparency":[0],"and":[1,18,59,73,84,86],"reproducibility":[2,31,81],"are":[3,14],"important":[4,116],"aspects":[5],"of":[6,21,30,80,88,101],"validation":[7],"for":[8,117],"Machine":[9,44],"Learning":[10,45],"(ML)":[11],"models":[12,58],"that":[13,32,110],"not":[15],"fully":[16],"understood":[17],"applies":[19],"independently":[20],"the":[22,34,104],"application":[23],"domain.":[24],"We":[25,67],"offer":[26],"a":[27,98,124],"case":[28],"study":[29,51],"highlights":[33],"challenges":[35,69],"encountered":[36],"when":[37,90],"attempting":[38],"to":[39,71,95],"reproduce":[40],"analyzes":[41],"obtained":[42,55],"with":[43,56],"methods":[46],"in":[47,61,76,103,120],"materials":[48,125],"informatics.":[49],"Our":[50],"explores":[52],"prediction":[53],"results":[54,108],"ML":[57,105,119],"issues":[60],"training":[62,77],"data":[63],"serving":[64],"as":[65],"input.":[66],"discuss":[68],"related":[70],"theory-driven":[72],"numerical":[74],"errors":[75],"data,":[78],"lack":[79],"across":[82],"platforms":[83],"versions,":[85],"effects":[87],"randomness":[89],"varying":[91],"hyperparameters.":[92],"In":[93],"addition":[94],"model":[96,111],"accuracy,":[97],"main":[99],"metric":[100],"interest":[102],"community,":[106],"our":[107],"show":[109],"sensitivity":[112],"may":[113],"be":[114],"equally":[115],"applying":[118],"domain":[121],"applications":[122],"such":[123],"science.":[126]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":4}],"updated_date":"2026-07-25T09:21:30.201066","created_date":"2025-10-10T00:00:00"}
