{"id":"https://openalex.org/W3182481782","doi":"https://doi.org/10.1145/3449726.3463192","title":"Which hyperparameters to optimise?","display_name":"Which hyperparameters to optimise?","publication_year":2021,"publication_date":"2021-07-07","ids":{"openalex":"https://openalex.org/W3182481782","doi":"https://doi.org/10.1145/3449726.3463192","mag":"3182481782"},"language":"en","primary_location":{"id":"doi:10.1145/3449726.3463192","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3449726.3463192","pdf_url":null,"source":{"id":"https://openalex.org/S4363608771","display_name":"Proceedings of the Genetic and Evolutionary Computation Conference Companion","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":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Genetic and Evolutionary Computation Conference Companion","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5091219117","display_name":"Yingfang Yuan","orcid":"https://orcid.org/0000-0002-8925-9267"},"institutions":[{"id":"https://openalex.org/I32062511","display_name":"Heriot-Watt University","ror":"https://ror.org/04mghma93","country_code":"GB","type":"education","lineage":["https://openalex.org/I32062511"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Yingfang Yuan","raw_affiliation_strings":["Heriot-Watt University, Edinburgh, United Kingdom"],"affiliations":[{"raw_affiliation_string":"Heriot-Watt University, Edinburgh, United Kingdom","institution_ids":["https://openalex.org/I32062511"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100393027","display_name":"Wenjun Wang","orcid":"https://orcid.org/0000-0002-3325-7481"},"institutions":[{"id":"https://openalex.org/I32062511","display_name":"Heriot-Watt University","ror":"https://ror.org/04mghma93","country_code":"GB","type":"education","lineage":["https://openalex.org/I32062511"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Wenjun Wang","raw_affiliation_strings":["Heriot-Watt University, Edinburgh, United Kingdom"],"affiliations":[{"raw_affiliation_string":"Heriot-Watt University, Edinburgh, United Kingdom","institution_ids":["https://openalex.org/I32062511"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081644845","display_name":"Wei Pang","orcid":"https://orcid.org/0000-0002-1761-6659"},"institutions":[{"id":"https://openalex.org/I32062511","display_name":"Heriot-Watt University","ror":"https://ror.org/04mghma93","country_code":"GB","type":"education","lineage":["https://openalex.org/I32062511"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Wei Pang","raw_affiliation_strings":["Heriot-Watt University, Edinburgh, United Kingdom"],"affiliations":[{"raw_affiliation_string":"Heriot-Watt University, Edinburgh, United Kingdom","institution_ids":["https://openalex.org/I32062511"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5091219117"],"corresponding_institution_ids":["https://openalex.org/I32062511"],"apc_list":null,"apc_paid":null,"fwci":0.5026,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.65002804,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"1403","last_page":"1404"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12535","display_name":"Machine Learning and Data Classification","score":0.9998000264167786,"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"}},"topics":[{"id":"https://openalex.org/T12535","display_name":"Machine Learning and Data Classification","score":0.9998000264167786,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9929999709129333,"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/T12072","display_name":"Machine Learning and Algorithms","score":0.9876000285148621,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/hyperparameter","display_name":"Hyperparameter","score":0.9698942303657532},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7251189947128296},{"id":"https://openalex.org/keywords/task","display_name":"Task (project management)","score":0.5749842524528503},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5598520040512085},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.5543908476829529},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5447826981544495},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.5439978837966919},{"id":"https://openalex.org/keywords/focus","display_name":"Focus (optics)","score":0.4419773519039154},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.28053128719329834},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.07437744736671448}],"concepts":[{"id":"https://openalex.org/C8642999","wikidata":"https://www.wikidata.org/wiki/Q4171168","display_name":"Hyperparameter","level":2,"score":0.9698942303657532},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7251189947128296},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.5749842524528503},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5598520040512085},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5543908476829529},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5447826981544495},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.5439978837966919},{"id":"https://openalex.org/C192209626","wikidata":"https://www.wikidata.org/wiki/Q190909","display_name":"Focus (optics)","level":2,"score":0.4419773519039154},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.28053128719329834},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.07437744736671448},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","level":1,"score":0.0},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3449726.3463192","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3449726.3463192","pdf_url":null,"source":{"id":"https://openalex.org/S4363608771","display_name":"Proceedings of the Genetic and Evolutionary Computation Conference Companion","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":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Genetic and Evolutionary Computation Conference Companion","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G6483399613","display_name":null,"funder_award_id":"EP/R020957/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G6941632622","display_name":"New Industrial Systems: Manufacturing Immortality","funder_award_id":"EP/R020957/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"}],"funders":[{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":1,"referenced_works":["https://openalex.org/W2949676527"],"related_works":["https://openalex.org/W2140186469","https://openalex.org/W4390421286","https://openalex.org/W4280563792","https://openalex.org/W4389724018","https://openalex.org/W4318719684","https://openalex.org/W3183136280","https://openalex.org/W4318559728","https://openalex.org/W2775233965","https://openalex.org/W4360995913","https://openalex.org/W4312193868"],"abstract_inverted_index":{"Most":[0],"GNNs":[1],"for":[2,16,53,88,103],"molecular":[3,48,89],"property":[4,90],"prediction":[5],"are":[6,56],"proposed":[7],"based":[8],"on":[9,63,83],"the":[10,14,17,21,31,50,64,84,110],"idea":[11],"of":[12,23,66,70,80,86,113,124],"learning":[13],"representations":[15,32],"nodes":[18,26],"by":[19],"aggregating":[20],"information":[22],"their":[24],"neighbour":[25],"in":[27],"graph":[28,76],"layers.":[29],"Then,":[30],"can":[33,116],"be":[34],"passed":[35],"to":[36,40,75,129],"subsequent":[37],"task-specific":[38,81],"layers":[39,55,77],"deal":[41],"with":[42],"individual":[43],"downstream":[44],"tasks.":[45],"Facing":[46],"real-world":[47],"problems,":[49],"hyperparameter":[51],"optimisation":[52],"those":[54,73,79],"vital.":[57],"In":[58,92],"this":[59],"research,":[60],"we":[61,95],"focus":[62],"impact":[65],"selecting":[67],"two":[68,111],"types":[69,112,123],"GNN":[71,87],"hyperparameters,":[72],"belonging":[74],"and":[78],"layers,":[82],"performance":[85],"prediction.":[91],"our":[93],"experiments,":[94],"employed":[96],"a":[97],"state-of-the-art":[98],"evolutionary":[99],"algorithm":[100],"(i.e.,":[101],"CMA-ES)":[102],"HPO.":[104],"The":[105],"results":[106],"reveal":[107],"that":[108],"optimising":[109,121],"hyperparameters":[114,125],"separately":[115],"improve":[117],"GNNs'":[118],"performance,":[119],"but":[120],"both":[122],"simultaneously":[126],"will":[127],"lead":[128],"predominant":[130],"improvements.":[131]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2022,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
