{"id":"https://openalex.org/W4385482734","doi":"https://doi.org/10.1109/ijcnn54540.2023.10191518","title":"MocGCL: Molecular Graph Contrastive Learning via Negative Selection","display_name":"MocGCL: Molecular Graph Contrastive Learning via Negative Selection","publication_year":2023,"publication_date":"2023-06-18","ids":{"openalex":"https://openalex.org/W4385482734","doi":"https://doi.org/10.1109/ijcnn54540.2023.10191518"},"language":"en","primary_location":{"id":"doi:10.1109/ijcnn54540.2023.10191518","is_oa":false,"landing_page_url":"http://dx.doi.org/10.1109/ijcnn54540.2023.10191518","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2023 International Joint Conference on Neural Networks (IJCNN)","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/A5081132555","display_name":"Jinhao Cui","orcid":"https://orcid.org/0009-0007-6430-9700"},"institutions":[{"id":"https://openalex.org/I204983213","display_name":"Harbin Institute of Technology","ror":"https://ror.org/01yqg2h08","country_code":"CN","type":"education","lineage":["https://openalex.org/I204983213"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jinhao Cui","raw_affiliation_strings":["Harbin Institute of Technology Shenzhen,Shenzhen,China","Harbin Institute of Technology Shenzhen, Shenzhen, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen,Shenzhen,China","institution_ids":["https://openalex.org/I204983213"]},{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen, Shenzhen, China","institution_ids":["https://openalex.org/I204983213"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045973629","display_name":"Heyan Chai","orcid":"https://orcid.org/0000-0003-4470-9364"},"institutions":[{"id":"https://openalex.org/I204983213","display_name":"Harbin Institute of Technology","ror":"https://ror.org/01yqg2h08","country_code":"CN","type":"education","lineage":["https://openalex.org/I204983213"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Heyan Chai","raw_affiliation_strings":["Harbin Institute of Technology Shenzhen,Shenzhen,China","Harbin Institute of Technology Shenzhen, Shenzhen, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen,Shenzhen,China","institution_ids":["https://openalex.org/I204983213"]},{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen, Shenzhen, China","institution_ids":["https://openalex.org/I204983213"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112125431","display_name":"Yanbin Gong","orcid":null},"institutions":[{"id":"https://openalex.org/I200769079","display_name":"Hong Kong University of Science and Technology","ror":"https://ror.org/00q4vv597","country_code":"HK","type":"education","lineage":["https://openalex.org/I200769079"]}],"countries":["HK"],"is_corresponding":false,"raw_author_name":"Yanbin Gong","raw_affiliation_strings":["The Hong Kong University of Science and Technology,Hong Kong,China","The Hong Kong University of Science and Technology, Hong Kong, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The Hong Kong University of Science and Technology,Hong Kong,China","institution_ids":["https://openalex.org/I200769079"]},{"raw_affiliation_string":"The Hong Kong University of Science and Technology, Hong Kong, China","institution_ids":["https://openalex.org/I200769079"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101598590","display_name":"Y. Ding","orcid":"https://orcid.org/0000-0002-6992-8611"},"institutions":[{"id":"https://openalex.org/I2799850029","display_name":"Dongguan University of Technology","ror":"https://ror.org/01m8p7q42","country_code":"CN","type":"education","lineage":["https://openalex.org/I2799850029"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ye Ding","raw_affiliation_strings":["Dongguan University of Technology,Dongguan,China","Dongguan University of Technology, Dongguan, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dongguan University of Technology,Dongguan,China","institution_ids":["https://openalex.org/I2799850029"]},{"raw_affiliation_string":"Dongguan University of Technology, Dongguan, China","institution_ids":["https://openalex.org/I2799850029"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007080915","display_name":"Zhongyun Hua","orcid":"https://orcid.org/0000-0002-3529-0541"},"institutions":[{"id":"https://openalex.org/I204983213","display_name":"Harbin Institute of Technology","ror":"https://ror.org/01yqg2h08","country_code":"CN","type":"education","lineage":["https://openalex.org/I204983213"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhongyun Hua","raw_affiliation_strings":["Harbin Institute of Technology Shenzhen,Shenzhen,China","Harbin Institute of Technology Shenzhen, Shenzhen, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen,Shenzhen,China","institution_ids":["https://openalex.org/I204983213"]},{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen, Shenzhen, China","institution_ids":["https://openalex.org/I204983213"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103094513","display_name":"Cuiyun Gao","orcid":"https://orcid.org/0000-0001-8513-6836"},"institutions":[{"id":"https://openalex.org/I204983213","display_name":"Harbin Institute of Technology","ror":"https://ror.org/01yqg2h08","country_code":"CN","type":"education","lineage":["https://openalex.org/I204983213"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Cuiyun Gao","raw_affiliation_strings":["Harbin Institute of Technology Shenzhen,Shenzhen,China","Harbin Institute of Technology Shenzhen, Shenzhen, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen,Shenzhen,China","institution_ids":["https://openalex.org/I204983213"]},{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen, Shenzhen, China","institution_ids":["https://openalex.org/I204983213"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5069241620","display_name":"Qing Liao","orcid":"https://orcid.org/0000-0003-1012-5301"},"institutions":[{"id":"https://openalex.org/I204983213","display_name":"Harbin Institute of Technology","ror":"https://ror.org/01yqg2h08","country_code":"CN","type":"education","lineage":["https://openalex.org/I204983213"]},{"id":"https://openalex.org/I4210136793","display_name":"Peng Cheng Laboratory","ror":"https://ror.org/03qdqbt06","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210136793"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qing Liao","raw_affiliation_strings":["Harbin Institute of Technology Shenzhen,Shenzhen,China","Peng Cheng Laboratory, Shenzhen, China","Harbin Institute of Technology Shenzhen, Shenzhen, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen,Shenzhen,China","institution_ids":["https://openalex.org/I204983213"]},{"raw_affiliation_string":"Peng Cheng Laboratory, Shenzhen, China","institution_ids":["https://openalex.org/I4210136793"]},{"raw_affiliation_string":"Harbin Institute of Technology Shenzhen, Shenzhen, China","institution_ids":["https://openalex.org/I204983213"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5081132555"],"corresponding_institution_ids":["https://openalex.org/I204983213"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.2688485,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"19","issue":null,"first_page":"1","last_page":"8"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9952999949455261,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9952999949455261,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10885","display_name":"Gene expression and cancer classification","score":0.989799976348877,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11273","display_name":"Advanced Graph Neural Networks","score":0.9848999977111816,"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/computer-science","display_name":"Computer science","score":0.6164572238922119},{"id":"https://openalex.org/keywords/negative-selection","display_name":"Negative selection","score":0.5806499719619751},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.5789839029312134},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.48438841104507446},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.41561487317085266},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.33933591842651367},{"id":"https://openalex.org/keywords/natural-language-processing","display_name":"Natural language processing","score":0.3298150897026062},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.32642805576324463},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.16982585191726685},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.10679510235786438}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6164572238922119},{"id":"https://openalex.org/C7386963","wikidata":"https://www.wikidata.org/wiki/Q3954859","display_name":"Negative selection","level":4,"score":0.5806499719619751},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5789839029312134},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.48438841104507446},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.41561487317085266},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.33933591842651367},{"id":"https://openalex.org/C204321447","wikidata":"https://www.wikidata.org/wiki/Q30642","display_name":"Natural language processing","level":1,"score":0.3298150897026062},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.32642805576324463},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.16982585191726685},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.10679510235786438},{"id":"https://openalex.org/C141231307","wikidata":"https://www.wikidata.org/wiki/Q7020","display_name":"Genome","level":3,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1109/ijcnn54540.2023.10191518","is_oa":false,"landing_page_url":"http://dx.doi.org/10.1109/ijcnn54540.2023.10191518","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2023 International Joint Conference on Neural Networks (IJCNN)","raw_type":"proceedings-article"},{"id":"pmh:oai:repository.hkust.edu.hk:1783.1-130380","is_oa":false,"landing_page_url":"http://repository.hkust.edu.hk/ir/Record/1783.1-130380","pdf_url":null,"source":{"id":"https://openalex.org/S4306401796","display_name":"Rare & Special e-Zone (The Hong Kong University of Science and Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I200769079","host_organization_name":"Hong Kong University of Science and Technology","host_organization_lineage":["https://openalex.org/I200769079"],"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":"Conference paper"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Peace, Justice and strong institutions","id":"https://metadata.un.org/sdg/16","score":0.8199999928474426}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W1874566015","https://openalex.org/W1977340881","https://openalex.org/W1988037271","https://openalex.org/W2008857988","https://openalex.org/W2034618876","https://openalex.org/W2056562706","https://openalex.org/W2092750499","https://openalex.org/W2099438806","https://openalex.org/W2109363337","https://openalex.org/W2157511453","https://openalex.org/W2292274018","https://openalex.org/W2567080747","https://openalex.org/W2907101105","https://openalex.org/W2943472942","https://openalex.org/W2963066159","https://openalex.org/W2964015378","https://openalex.org/W3035524453","https://openalex.org/W3086452730","https://openalex.org/W3094497296","https://openalex.org/W3095602948","https://openalex.org/W3134210100","https://openalex.org/W3145004415","https://openalex.org/W3153673236","https://openalex.org/W3156650687","https://openalex.org/W3172495685","https://openalex.org/W3190486510","https://openalex.org/W3205655893","https://openalex.org/W4206480231","https://openalex.org/W4221023051","https://openalex.org/W4221141430","https://openalex.org/W4225287123","https://openalex.org/W4225310585","https://openalex.org/W4288275971","https://openalex.org/W4297733535","https://openalex.org/W6726873649","https://openalex.org/W6752051073","https://openalex.org/W6754929296","https://openalex.org/W6774314701","https://openalex.org/W6784694379","https://openalex.org/W6795898371","https://openalex.org/W6796293743","https://openalex.org/W6809884082"],"related_works":["https://openalex.org/W2961085424","https://openalex.org/W2415135680","https://openalex.org/W4293064434","https://openalex.org/W4224009465","https://openalex.org/W3122539723","https://openalex.org/W2066518030","https://openalex.org/W4306674287","https://openalex.org/W4286629047","https://openalex.org/W2952314547","https://openalex.org/W4205958290"],"abstract_inverted_index":{"Molecular":[0],"classification":[1],"benefits":[2],"a":[3,92],"lot":[4],"from":[5],"the":[6,21,37,57,67,74,108,125,145,154,161,169,176,182,191,209],"re-cent":[7],"success":[8],"of":[9,69,80,110,127,147,164,194,211],"graph":[10,33,42,95],"contrastive":[11,96,177],"learning":[12,97],"(GCL)":[13],"which":[14,188],"pulls":[15],"positive":[16,30,121,128],"samples":[17,23,31,48,61,72,105,122,138,163,197],"close":[18],"and":[19,29,62,139],"pushes":[20],"negative":[22,28,47,60,71,104,133,137,149,156,162,186,196],"apart.":[24],"GCL":[25,54],"methods":[26,55],"generate":[27,120,136],"via":[32],"augmentation.":[34],"Due":[35],"to":[36,77,106,119,123,135,143,158,167,179,215],"structural":[38],"corruption":[39],"caused":[40],"by":[41,100],"augmentation,":[43],"not":[44],"all":[45,70],"generated":[46,148],"retain":[49],"discrim-inative":[50],"semantics.":[51],"However,":[52],"existing":[53],"ignore":[56],"difference":[58],"between":[59,184],"hold":[63],"an":[64],"assumption":[65],"that":[66],"importance":[68],"is":[73],"same,":[75],"leading":[76],"degraded":[78],"performance":[79,109],"molecular":[81,94,111,170],"classification.":[82,112],"To":[83],"address":[84],"this":[85,88],"issue,":[86],"in":[87,198],"paper,":[89],"we":[90,114,131,152,174],"propose":[91,153],"novel":[93,155],"model":[98],"(MocGCL)":[99],"selecting":[101],"more":[102,165],"useful":[103],"improve":[107,124,168,175],"Specifically,":[113],"first":[115],"employ":[116],"different":[117],"encoders":[118],"diversity":[126],"samples.":[129,150],"Then,":[130],"design":[132],"generation":[134],"define":[140],"semantic":[141],"integrity":[142],"measure":[144],"usefulness":[146,166],"Moreover,":[151],"selection":[157],"dynamically":[159],"select":[160],"representation.":[171],"In":[172],"addition,":[173],"loss":[178],"adaptively":[180],"adjust":[181],"distance":[183],"selected":[185,195],"samples,":[187],"can":[189],"pre-serve":[190],"distinctive":[192],"properties":[193],"sample":[199],"space.":[200],"Extensive":[201],"experiments":[202],"on":[203],"six":[204],"typical":[205],"bioinformatics":[206],"datasets":[207],"demonstrate":[208],"effectiveness":[210],"our":[212],"MocGCL":[213],"compared":[214],"most":[216],"state-of-the-art":[217],"methods.":[218]},"counts_by_year":[],"updated_date":"2026-05-04T08:30:34.212998","created_date":"2025-10-10T00:00:00"}
