{"id":"https://openalex.org/W4225842713","doi":"https://doi.org/10.1088/2632-2153/ac6a51","title":"Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems <sup>*</sup>","display_name":"Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems <sup>*</sup>","publication_year":2022,"publication_date":"2022-04-26","ids":{"openalex":"https://openalex.org/W4225842713","doi":"https://doi.org/10.1088/2632-2153/ac6a51"},"language":"en","primary_location":{"id":"doi:10.1088/2632-2153/ac6a51","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ac6a51","pdf_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ac6a51/pdf","source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ac6a51/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5019108731","display_name":"Massimiliano Lupo Pasini","orcid":"https://orcid.org/0000-0002-4980-6924"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Massimiliano Lupo Pasini","raw_affiliation_strings":["Oak Ridge National Laboratory, Computational Sciences and Engineering Division, Oak Ridge, TN 37831, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-4980-6924","affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Computational Sciences and Engineering Division, Oak Ridge, TN 37831, United States of America","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013833305","display_name":"Pei Zhang","orcid":"https://orcid.org/0000-0002-8351-0529"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Pei Zhang","raw_affiliation_strings":["Oak Ridge National Laboratory, Computational Sciences and Engineering Division, Oak Ridge, TN 37831, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-8351-0529","affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Computational Sciences and Engineering Division, Oak Ridge, TN 37831, United States of America","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046392583","display_name":"Samuel Temple Reeve","orcid":"https://orcid.org/0000-0002-4250-9476"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Samuel Temple Reeve","raw_affiliation_strings":["Oak Ridge National Laboratory, Computational Sciences and Engineering Division, Oak Ridge, TN 37831, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-4250-9476","affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Computational Sciences and Engineering Division, Oak Ridge, TN 37831, United States of America","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5054451484","display_name":"Jong Youl Choi","orcid":"https://orcid.org/0000-0002-6459-6152"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jong Youl Choi","raw_affiliation_strings":["Oak Ridge National Laboratory, Computer Science and Mathematics Division, Oak Ridge, TN 37831, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-6459-6152","affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Computer Science and Mathematics Division, Oak Ridge, TN 37831, United States of America","institution_ids":["https://openalex.org/I1289243028"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5019108731"],"corresponding_institution_ids":["https://openalex.org/I1289243028"],"apc_list":{"value":1600,"currency":"GBP","value_usd":1962},"apc_paid":{"value":1600,"currency":"GBP","value_usd":1962},"fwci":1.3693,"has_fulltext":true,"cited_by_count":20,"citation_normalized_percentile":{"value":0.78973199,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"3","issue":"2","first_page":"025007","last_page":"025007"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"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":1.0,"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/T12808","display_name":"Ferroelectric and Negative Capacitance Devices","score":0.9969000220298767,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.9944000244140625,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/convolutional-neural-network","display_name":"Convolutional neural network","score":0.613398015499115},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6009316444396973},{"id":"https://openalex.org/keywords/tetragonal-crystal-system","display_name":"Tetragonal crystal system","score":0.5579144358634949},{"id":"https://openalex.org/keywords/ferromagnetism","display_name":"Ferromagnetism","score":0.4813552498817444},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.46524226665496826},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4127899706363678},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.35227423906326294},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.3483077883720398},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3431245982646942},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2012920379638672},{"id":"https://openalex.org/keywords/condensed-matter-physics","display_name":"Condensed matter physics","score":0.1576758325099945},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.09216150641441345}],"concepts":[{"id":"https://openalex.org/C81363708","wikidata":"https://www.wikidata.org/wiki/Q17084460","display_name":"Convolutional neural network","level":2,"score":0.613398015499115},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6009316444396973},{"id":"https://openalex.org/C170751736","wikidata":"https://www.wikidata.org/wiki/Q503601","display_name":"Tetragonal crystal system","level":3,"score":0.5579144358634949},{"id":"https://openalex.org/C82217956","wikidata":"https://www.wikidata.org/wiki/Q184207","display_name":"Ferromagnetism","level":2,"score":0.4813552498817444},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.46524226665496826},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4127899706363678},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.35227423906326294},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3483077883720398},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3431245982646942},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2012920379638672},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.1576758325099945},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09216150641441345},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1088/2632-2153/ac6a51","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ac6a51","pdf_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ac6a51/pdf","source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},{"id":"pmh:oai:osti.gov:1864880","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1864880","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},{"id":"pmh:oai:osti.gov:1866628","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1866628","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},{"id":"pmh:oai:osti.gov:1866687","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1866687","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:10.1088/2632-2153/ac6a51","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ac6a51","pdf_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ac6a51/pdf","source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Peace, Justice and strong institutions","score":0.5699999928474426,"id":"https://metadata.un.org/sdg/16"},{"display_name":"Reduced inequalities","score":0.4699999988079071,"id":"https://metadata.un.org/sdg/10"}],"awards":[{"id":"https://openalex.org/G1026679911","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"},{"id":"https://openalex.org/G121915436","display_name":null,"funder_award_id":"DEAC05- 00OR22725","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G1645119126","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G166562317","display_name":null,"funder_award_id":"DE-AC05- 00OR22725","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G203625172","display_name":null,"funder_award_id":"DE--AC05--00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2757267231","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G2988778103","display_name":null,"funder_award_id":"DE-AC05?","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G313676650","display_name":null,"funder_award_id":"DEAC05-00OR22725","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"},{"id":"https://openalex.org/G3946874867","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G4423657506","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G5726405315","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G574648691","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G675320460","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G8269158468","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G8906985441","display_name":null,"funder_award_id":"00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8943143067","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320306250","display_name":"Battelle","ror":"https://ror.org/01h5tnr73"},{"id":"https://openalex.org/F4320316892","display_name":"UT-Battelle","ror":"https://ror.org/04nza6677"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"},{"id":"https://openalex.org/F4320338287","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4225842713.pdf","grobid_xml":"https://content.openalex.org/works/W4225842713.grobid-xml"},"referenced_works_count":55,"referenced_works":["https://openalex.org/W1522301498","https://openalex.org/W1563453094","https://openalex.org/W1580534721","https://openalex.org/W1614862348","https://openalex.org/W1976492731","https://openalex.org/W1987203688","https://openalex.org/W1992985800","https://openalex.org/W2006326929","https://openalex.org/W2030976617","https://openalex.org/W2046001409","https://openalex.org/W2116341502","https://openalex.org/W2134329894","https://openalex.org/W2230728100","https://openalex.org/W2337110853","https://openalex.org/W2478294658","https://openalex.org/W2734982589","https://openalex.org/W2766856748","https://openalex.org/W2768909439","https://openalex.org/W2805089601","https://openalex.org/W2807356398","https://openalex.org/W2886802770","https://openalex.org/W2888395196","https://openalex.org/W2899283552","https://openalex.org/W2901443497","https://openalex.org/W2946640364","https://openalex.org/W2949095042","https://openalex.org/W2950890616","https://openalex.org/W2964321699","https://openalex.org/W2972228299","https://openalex.org/W3016124664","https://openalex.org/W3023479823","https://openalex.org/W3044331493","https://openalex.org/W3102845444","https://openalex.org/W3103227378","https://openalex.org/W3104968270","https://openalex.org/W3163993681","https://openalex.org/W3208687975","https://openalex.org/W3209042722","https://openalex.org/W3212512279","https://openalex.org/W4221089249","https://openalex.org/W4225481341","https://openalex.org/W4286899761","https://openalex.org/W4287704235","https://openalex.org/W4288419263","https://openalex.org/W4293246336","https://openalex.org/W4294558607","https://openalex.org/W4295312788","https://openalex.org/W6631190155","https://openalex.org/W6738964360","https://openalex.org/W6746151544","https://openalex.org/W6756286733","https://openalex.org/W6760045743","https://openalex.org/W6775947557","https://openalex.org/W6781627981","https://openalex.org/W6959847135"],"related_works":["https://openalex.org/W2108157117","https://openalex.org/W2031633929","https://openalex.org/W2082642415","https://openalex.org/W3153333807","https://openalex.org/W2005241827","https://openalex.org/W2041176849","https://openalex.org/W2038402524","https://openalex.org/W2766951816","https://openalex.org/W2021319334","https://openalex.org/W2032378347"],"abstract_inverted_index":{"Abstract":[0],"We":[1,24],"introduce":[2],"a":[3,40],"multi-tasking":[4],"graph":[5],"convolutional":[6,122],"neural":[7],"network,":[8],"HydraGNN,":[9],"to":[10,50,138,158,166,200],"simultaneously":[11,51],"predict":[12,52],"both":[13],"global":[14,57],"and":[15,19,47,66,134,182,225],"atomic":[16,63,68],"physical":[17,84],"properties":[18,185],"demonstrate":[20],"with":[21,39,92,98,107],"ferromagnetic":[22],"materials.":[23],"train":[25],"HydraGNN":[26,93,126,173,214],"on":[27],"an":[28],"open-source":[29],"ab":[30],"initio":[31],"density":[32],"functional":[33],"theory":[34],"(DFT)":[35],"dataset":[36],"for":[37,215,233],"iron-platinum":[38],"fixed":[41,48],"body":[42],"centered":[43],"tetragonal":[44],"lattice":[45],"structure":[46],"volume":[49],"the":[53,60,62,67,75,125,146,149,152,159,163,176,179,183,187,192,201,204,209,221],"mixing":[54],"enthalpy":[55],"(a":[56],"feature":[58],"of":[59,82,101,112,124,148,154,162,194,203,212],"system),":[61],"charge":[64],"transfer,":[65],"magnetic":[69],"moment":[70],"across":[71],"configurations":[72],"that":[73,172],"span":[74],"entire":[76,188],"compositional":[77,189],"range.":[78,190],"By":[79],"taking":[80],"advantage":[81],"underlying":[83],"correlations":[85],"between":[86,178],"material":[87,140,184],"properties,":[88,151],"multi-task":[89],"learning":[90,118,132],"(MTL)":[91],"provides":[94],"effective":[95],"training":[96,213,229],"even":[97],"modest":[99],"amounts":[100],"data.":[102],"Moreover,":[103],"this":[104],"is":[105,198,217],"achieved":[106],"just":[108],"one":[109],"architecture":[110,127],"instead":[111],"three,":[113],"as":[114],"required":[115],"by":[116,130],"single-task":[117],"(STL).":[119],"The":[120,142],"first":[121],"layers":[123,144],"are":[128,156],"shared":[129],"all":[131,139],"tasks":[133],"extract":[135],"features":[136,147],"common":[137],"properties.":[141],"following":[143],"discriminate":[145],"different":[150],"results":[153,170],"which":[155],"fed":[157],"separate":[160,230],"heads":[161],"final":[164],"layer":[165],"produce":[167],"predictions.":[168,206],"Numerical":[169],"show":[171],"effectively":[174],"captures":[175],"relation":[177],"configurational":[180],"entropy":[181],"over":[186],"Overall,":[191],"accuracy":[193,202],"simultaneous":[195],"MTL":[196,216],"predictions":[197],"comparable":[199],"STL":[205,231],"In":[207],"addition,":[208],"computational":[210],"cost":[211],"much":[218],"lower":[219,227],"than":[220,228],"original":[222],"DFT":[223],"calculations":[224],"also":[226],"models":[232],"each":[234],"property.":[235]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":8}],"updated_date":"2026-08-13T07:04:57.449891","created_date":"2022-05-05T00:00:00"}