{"id":"https://openalex.org/W4406260653","doi":"https://doi.org/10.1109/bibm62325.2024.10822853","title":"Deep Representation Learning for Electron Ionization Mass Spectra Retrieval","display_name":"Deep Representation Learning for Electron Ionization Mass Spectra Retrieval","publication_year":2024,"publication_date":"2024-12-03","ids":{"openalex":"https://openalex.org/W4406260653","doi":"https://doi.org/10.1109/bibm62325.2024.10822853"},"language":"en","primary_location":{"id":"doi:10.1109/bibm62325.2024.10822853","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bibm62325.2024.10822853","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)","raw_type":"proceedings-article"},"type":"conference-paper","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/A5101741824","display_name":"Shibo Liu","orcid":"https://orcid.org/0000-0001-5882-6153"},"institutions":[{"id":"https://openalex.org/I80143920","display_name":"Shandong University of Science and Technology","ror":"https://ror.org/04gtjhw98","country_code":"CN","type":"education","lineage":["https://openalex.org/I80143920"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shibo Liu","raw_affiliation_strings":["Shandong University,School of Computer Science and Technology,Qingdao,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong University,School of Computer Science and Technology,Qingdao,China","institution_ids":["https://openalex.org/I80143920"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100342872","display_name":"Xuan Zhang","orcid":"https://orcid.org/0000-0001-5329-7272"},"institutions":[{"id":"https://openalex.org/I80143920","display_name":"Shandong University of Science and Technology","ror":"https://ror.org/04gtjhw98","country_code":"CN","type":"education","lineage":["https://openalex.org/I80143920"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xuan Zhang","raw_affiliation_strings":["Shandong University,School of Computer Science and Technology,Qingdao,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong University,School of Computer Science and Technology,Qingdao,China","institution_ids":["https://openalex.org/I80143920"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Anlei Jiao","orcid":null},"institutions":[{"id":"https://openalex.org/I80143920","display_name":"Shandong University of Science and Technology","ror":"https://ror.org/04gtjhw98","country_code":"CN","type":"education","lineage":["https://openalex.org/I80143920"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Anlei Jiao","raw_affiliation_strings":["Shandong University,School of Computer Science and Technology,Qingdao,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong University,School of Computer Science and Technology,Qingdao,China","institution_ids":["https://openalex.org/I80143920"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108903761","display_name":"Shiwei Sun","orcid":"https://orcid.org/0000-0002-0351-3720"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shiwei Sun","raw_affiliation_strings":["Chinese Academy of Sciences,Key Lab of Intelligent Information Processing, Institute of Computing Technology,Beijing,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chinese Academy of Sciences,Key Lab of Intelligent Information Processing, Institute of Computing Technology,Beijing,China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060247019","display_name":"Longyang Dian","orcid":"https://orcid.org/0000-0002-0934-0998"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]},{"id":"https://openalex.org/I4391767886","display_name":"State Key Laboratory of Microbial Technology","ror":"https://ror.org/03x08qn04","country_code":null,"type":"facility","lineage":["https://openalex.org/I154099455","https://openalex.org/I4391767886"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Longyang Dian","raw_affiliation_strings":["Shandong University,State Key Laboratory of Microbial Technology,Qingdao,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong University,State Key Laboratory of Microbial Technology,Qingdao,China","institution_ids":["https://openalex.org/I154099455","https://openalex.org/I4391767886"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074194686","display_name":"Xuefeng Cui","orcid":"https://orcid.org/0000-0003-0350-1495"},"institutions":[{"id":"https://openalex.org/I80143920","display_name":"Shandong University of Science and Technology","ror":"https://ror.org/04gtjhw98","country_code":"CN","type":"education","lineage":["https://openalex.org/I80143920"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xuefeng Cui","raw_affiliation_strings":["Shandong University,School of Computer Science and Technology,Qingdao,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong University,School of Computer Science and Technology,Qingdao,China","institution_ids":["https://openalex.org/I80143920"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"552","last_page":"557"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9866999983787537,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9866999983787537,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11949","display_name":"Nuclear Physics and Applications","score":0.9460999965667725,"subfield":{"id":"https://openalex.org/subfields/3108","display_name":"Radiation"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9243999719619751,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/ionization","display_name":"Ionization","score":0.6143463253974915},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.5660267472267151},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5443382859230042},{"id":"https://openalex.org/keywords/spectral-line","display_name":"Spectral line","score":0.5441622734069824},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.5320568680763245},{"id":"https://openalex.org/keywords/mass-spectrum","display_name":"Mass spectrum","score":0.47353097796440125},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.43396881222724915},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3538101315498352},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.33736681938171387},{"id":"https://openalex.org/keywords/mass-spectrometry","display_name":"Mass spectrometry","score":0.2737990617752075},{"id":"https://openalex.org/keywords/ion","display_name":"Ion","score":0.23835483193397522},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1167471706867218}],"concepts":[{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.6143463253974915},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.5660267472267151},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5443382859230042},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5441622734069824},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.5320568680763245},{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.47353097796440125},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.43396881222724915},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3538101315498352},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.33736681938171387},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.2737990617752075},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.23835483193397522},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1167471706867218},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/bibm62325.2024.10822853","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bibm62325.2024.10822853","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null},{"id":"https://openalex.org/F4320335581","display_name":"Young Scientists Fund","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W2028421938","https://openalex.org/W2096733369","https://openalex.org/W2165681080","https://openalex.org/W2900090807","https://openalex.org/W2921388451","https://openalex.org/W2963469388","https://openalex.org/W3081878206","https://openalex.org/W3129424480","https://openalex.org/W4224442792","https://openalex.org/W4317938055","https://openalex.org/W4381683321","https://openalex.org/W4388819402","https://openalex.org/W4390970098","https://openalex.org/W4390992168","https://openalex.org/W4392208003","https://openalex.org/W6682691769","https://openalex.org/W6757251034","https://openalex.org/W6766978945","https://openalex.org/W6861295083"],"related_works":["https://openalex.org/W2062195135","https://openalex.org/W2029490476","https://openalex.org/W2065626896","https://openalex.org/W2019947875","https://openalex.org/W182336420","https://openalex.org/W2795079307","https://openalex.org/W2060441604","https://openalex.org/W2058611167","https://openalex.org/W2477707879","https://openalex.org/W2024041181"],"abstract_inverted_index":{"The":[0,44,172],"task":[1],"of":[2,13,22,42,104,147,166],"retrieving":[3],"and":[4,58,83,144,149,156],"analyzing":[5],"mass":[6,16,68,107],"spectra":[7,32,69],"is":[8,21,76,175],"indispensable":[9],"for":[10,97,122],"the":[11,39,53,102,137],"identification":[12],"compounds":[14],"in":[15,51,85],"spectrometry":[17,108],"(MS).":[18],"This":[19],"methodology":[20,128],"critical":[23],"importance":[24],"as":[25,134],"it":[26,75],"enables":[27],"researchers":[28],"to":[29,47,78,153],"correlate":[30],"observed":[31],"with":[33,93,163],"established":[34],"databases,":[35],"thereby":[36],"precisely":[37],"determining":[38],"chemical":[40],"composition":[41],"samples.":[43],"primary":[45],"challenges":[46,91],"its":[48],"efficacy":[49],"lie":[50],"optimizing":[52],"balance":[54],"between":[55],"retrieval":[56,127,160],"accuracy":[57,82],"processing":[59],"speed.":[60],"Empirical":[61],"studies":[62],"have":[63],"demonstrated":[64],"that":[65],"by":[66],"converting":[67],"into":[70],"embeddings":[71],"via":[72],"deep":[73,95],"learning,":[74],"possible":[77],"achieve":[79],"both":[80],"high":[81],"speed":[84,169],"retrieval.":[86,124],"Nevertheless,":[87],"there":[88],"are":[89],"complex":[90],"associated":[92],"employing":[94],"learning":[96,118],"spectral":[98],"embedding,":[99],"particularly":[100],"within":[101],"domain":[103],"electron":[105],"ionization":[106],"(EI-MS).":[109],"In":[110],"this":[111],"paper,":[112],"we":[113,140],"introduce":[114],"a":[115],"novel":[116],"representation":[117],"technique":[119],"termed":[120],"EI-MS2VEC":[121],"EI-MS":[123],"Our":[125],"spectrum":[126],"surpasses":[129],"current":[130],"state-of-the-art":[131],"techniques":[132],"such":[133],"FastEI.":[135,171],"For":[136],"in-silico":[138],"library,":[139],"attain":[141],"hit":[142,145],"rate@1":[143],"rate@10":[146],"43.6%":[148],"84.5%,":[150],"respectively,":[151],"compared":[152],"FastEI\u2019s":[154],"36.7%":[155],"80.4%.":[157],"Moreover,":[158],"our":[159],"approach":[161],"operates":[162],"an":[164],"order":[165],"magnitude":[167],"greater":[168],"than":[170],"source":[173],"code":[174],"available":[176],"on":[177],"Github":[178],"(https://github.com/xfcui/EI-MS2VEC).":[179]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-07-14T23:27:15.235271","created_date":"2025-10-10T00:00:00"}
