{"id":"https://openalex.org/W4401236127","doi":"https://doi.org/10.1088/2632-2153/ad69ff","title":"ArtiSAN: navigating the complexity of material structures with deep reinforcement learning","display_name":"ArtiSAN: navigating the complexity of material structures with deep reinforcement learning","publication_year":2024,"publication_date":"2024-07-31","ids":{"openalex":"https://openalex.org/W4401236127","doi":"https://doi.org/10.1088/2632-2153/ad69ff"},"language":"en","primary_location":{"id":"doi:10.1088/2632-2153/ad69ff","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ad69ff","pdf_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ad69ff/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/ad69ff/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5024133617","display_name":"Jonas Elsborg","orcid":"https://orcid.org/0000-0002-1283-6492"},"institutions":[{"id":"https://openalex.org/I96673099","display_name":"Technical University of Denmark","ror":"https://ror.org/04qtj9h94","country_code":"DK","type":"education","lineage":["https://openalex.org/I96673099"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Jonas Elsborg","raw_affiliation_strings":["Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kongens Lyngby, Denmark"],"raw_orcid":"https://orcid.org/0000-0002-1283-6492","affiliations":[{"raw_affiliation_string":"Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kongens Lyngby, Denmark","institution_ids":["https://openalex.org/I96673099"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5023121476","display_name":"Arghya Bhowmik","orcid":"https://orcid.org/0000-0003-3198-5116"},"institutions":[{"id":"https://openalex.org/I96673099","display_name":"Technical University of Denmark","ror":"https://ror.org/04qtj9h94","country_code":"DK","type":"education","lineage":["https://openalex.org/I96673099"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Arghya Bhowmik","raw_affiliation_strings":["Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kongens Lyngby, Denmark"],"raw_orcid":"https://orcid.org/0000-0003-3198-5116","affiliations":[{"raw_affiliation_string":"Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kongens Lyngby, Denmark","institution_ids":["https://openalex.org/I96673099"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I96673099"],"apc_list":{"value":1600,"currency":"GBP","value_usd":1962},"apc_paid":{"value":1600,"currency":"GBP","value_usd":1962},"fwci":0.3134,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.51884655,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":"5","issue":"3","first_page":"035043","last_page":"035043"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.992900013923645,"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":0.992900013923645,"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/T10705","display_name":"Additive Manufacturing Materials and Processes","score":0.9837999939918518,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical 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/T10653","display_name":"Robot Manipulation and Learning","score":0.9812999963760376,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/reinforcement-learning","display_name":"Reinforcement learning","score":0.6165913939476013},{"id":"https://openalex.org/keywords/reinforcement","display_name":"Reinforcement","score":0.5232036113739014},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4229656755924225},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.42005470395088196},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.26041388511657715},{"id":"https://openalex.org/keywords/structural-engineering","display_name":"Structural engineering","score":0.11992475390434265}],"concepts":[{"id":"https://openalex.org/C97541855","wikidata":"https://www.wikidata.org/wiki/Q830687","display_name":"Reinforcement learning","level":2,"score":0.6165913939476013},{"id":"https://openalex.org/C67203356","wikidata":"https://www.wikidata.org/wiki/Q1321905","display_name":"Reinforcement","level":2,"score":0.5232036113739014},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4229656755924225},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.42005470395088196},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.26041388511657715},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.11992475390434265}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1088/2632-2153/ad69ff","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ad69ff","pdf_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ad69ff/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:doaj.org/article:fdaf2a87f1034a36bdb8bd7d42ba60a4","is_oa":true,"landing_page_url":"https://doaj.org/article/fdaf2a87f1034a36bdb8bd7d42ba60a4","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Machine Learning: Science and Technology, Vol 5, Iss 3, p 035043 (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1088/2632-2153/ad69ff","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ad69ff","pdf_url":"https://iopscience.iop.org/article/10.1088/2632-2153/ad69ff/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":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.7900000214576721}],"awards":[],"funders":[{"id":"https://openalex.org/F4320320671","display_name":"National Research Foundation","ror":"https://ror.org/05s0g1g46"},{"id":"https://openalex.org/F4320320943","display_name":"Danmarks Grundforskningsfond","ror":"https://ror.org/00znyv691"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4401236127.pdf","grobid_xml":"https://content.openalex.org/works/W4401236127.grobid-xml"},"referenced_works_count":95,"referenced_works":["https://openalex.org/W193913613","https://openalex.org/W1128811103","https://openalex.org/W1191599655","https://openalex.org/W1967232510","https://openalex.org/W1968985108","https://openalex.org/W1970065157","https://openalex.org/W1970647289","https://openalex.org/W1986301662","https://openalex.org/W1990311518","https://openalex.org/W1992985800","https://openalex.org/W1994335282","https://openalex.org/W1996563530","https://openalex.org/W2003975937","https://openalex.org/W2020488375","https://openalex.org/W2022612255","https://openalex.org/W2031975877","https://openalex.org/W2039061417","https://openalex.org/W2040207429","https://openalex.org/W2056760934","https://openalex.org/W2058085399","https://openalex.org/W2059919683","https://openalex.org/W2061355461","https://openalex.org/W2080641580","https://openalex.org/W2082429054","https://openalex.org/W2084066092","https://openalex.org/W2093073876","https://openalex.org/W2138728043","https://openalex.org/W2150664694","https://openalex.org/W2151324716","https://openalex.org/W2272621890","https://openalex.org/W2314236163","https://openalex.org/W2323770486","https://openalex.org/W2410511898","https://openalex.org/W2524096284","https://openalex.org/W2601081289","https://openalex.org/W2606735347","https://openalex.org/W2736601468","https://openalex.org/W2755352117","https://openalex.org/W2772709170","https://openalex.org/W2801248435","https://openalex.org/W2808754086","https://openalex.org/W2909236073","https://openalex.org/W2921873493","https://openalex.org/W2922127369","https://openalex.org/W2937681869","https://openalex.org/W2951539866","https://openalex.org/W2977768120","https://openalex.org/W2998496395","https://openalex.org/W3006668250","https://openalex.org/W3011988268","https://openalex.org/W3018195242","https://openalex.org/W3035848915","https://openalex.org/W3043706385","https://openalex.org/W3081836708","https://openalex.org/W3100460182","https://openalex.org/W3102972771","https://openalex.org/W3136035097","https://openalex.org/W3158117858","https://openalex.org/W3164805225","https://openalex.org/W3171752851","https://openalex.org/W3202612387","https://openalex.org/W3213118454","https://openalex.org/W4213377513","https://openalex.org/W4224985718","https://openalex.org/W4225896682","https://openalex.org/W4226081859","https://openalex.org/W4283021369","https://openalex.org/W4287866984","https://openalex.org/W4293208967","https://openalex.org/W4296552591","https://openalex.org/W4313550250","https://openalex.org/W4317867555","https://openalex.org/W4317941748","https://openalex.org/W4362657924","https://openalex.org/W4379382692","https://openalex.org/W4381487592","https://openalex.org/W4390528994","https://openalex.org/W4390874575","https://openalex.org/W4400266871","https://openalex.org/W6607962733","https://openalex.org/W6627932998","https://openalex.org/W6682160883","https://openalex.org/W6700882801","https://openalex.org/W6741002519","https://openalex.org/W6746177919","https://openalex.org/W6767957595","https://openalex.org/W6769064344","https://openalex.org/W6773712057","https://openalex.org/W6776921880","https://openalex.org/W6780153092","https://openalex.org/W6782527804","https://openalex.org/W6811116550","https://openalex.org/W6838781806","https://openalex.org/W6849395823","https://openalex.org/W6859689415"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W4310083477","https://openalex.org/W2328553770","https://openalex.org/W2920061524","https://openalex.org/W1977959518","https://openalex.org/W2038908348","https://openalex.org/W2107890255","https://openalex.org/W2106552856"],"abstract_inverted_index":{"Abstract":[0],"Finding":[1],"low-energy":[2,60],"atomic":[3,61,70],"ordering":[4],"in":[5,15,26,166],"compositionally":[6],"complex":[7],"materials":[8,16,184],"is":[9,56,74,118,170],"one":[10],"of":[11,20,63,69,92,113,179,182],"the":[12,18,37,106,114,176,180],"hardest":[13],"problems":[14],"discovery,":[17],"solution":[19],"which":[21,98],"can":[22,126],"lead":[23],"to":[24,30,58,83,88,105,162],"breakthroughs":[25],"functional":[27],"materials\u2014from":[28],"alloys":[29],"ceramics.":[31],"In":[32],"this":[33],"work,":[34],"we":[35],"present":[36],"Arti":[38],"ficial":[39],"S":[40],"tructure":[41],"A":[42],"rranging":[43],"N":[44],"et":[45],"(":[46],"ArtiSAN":[47,73,86,116,136,157],")\u2014a":[48],"reinforcement":[49],"learning":[50],"agent":[51,117],"utilizing":[52],"graph":[53],"representation":[54],"that":[55,125],"trained":[57,75],"find":[59],"configurations":[62],"multicomponent":[64],"systems":[65,91],"through":[66],"a":[67,95,171],"series":[68],"switch":[71],"operations.":[72],"on":[76,122],"small":[77],"alloy":[78],"supercells":[79],"ranging":[80],"from":[81],"binary":[82],"septenary.":[84],"Strikingly,":[85],"generalizes":[87],"much":[89],"larger":[90,108],"more":[93],"than":[94],"thousand":[96],"atoms,":[97],"are":[99],"inaccessible":[100],"with":[101,129],"state-of-the-art":[102],"methods":[103],"due":[104],"combinatorially":[107],"search":[109],"space.":[110],"The":[111],"performance":[112],"current":[115],"tested":[119],"and":[120,132,141,143],"deployed":[121],"several":[123],"compositions":[124],"be":[127],"correlated":[128],"known":[130],"experimental":[131],"high-fidelity":[133],"computational":[134],"structures.":[135],"demonstrates":[137],"transfer":[138],"across":[139],"size":[140],"composition":[142],"finds":[144],"physically":[145],"meaningful":[146],"structures":[147],"using":[148],"no":[149],"energy":[150],"evaluation":[151],"calls":[152],"once":[153],"fully":[154],"trained.":[155],"While":[156],"will":[158],"require":[159],"further":[160],"modifications":[161],"capture":[163],"all":[164],"variability":[165],"structure":[167],"search,":[168],"it":[169],"remarkable":[172],"step":[173],"towards":[174],"solving":[175],"structural":[177],"part":[178],"problem":[181],"disordered":[183],"discovery.":[185]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1}],"updated_date":"2026-06-26T08:34:08.712188","created_date":"2025-10-10T00:00:00"}