{"id":"https://openalex.org/W4206634787","doi":"https://doi.org/10.1109/tetc.2021.3131371","title":"Artificial Intelligence for Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy Using a Novel Data Augmentation Method","display_name":"Artificial Intelligence for Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy Using a Novel Data Augmentation Method","publication_year":2021,"publication_date":"2021-12-06","ids":{"openalex":"https://openalex.org/W4206634787","doi":"https://doi.org/10.1109/tetc.2021.3131371"},"language":"en","primary_location":{"id":"doi:10.1109/tetc.2021.3131371","is_oa":true,"landing_page_url":"https://doi.org/10.1109/tetc.2021.3131371","pdf_url":"https://ieeexplore.ieee.org/ielx7/6245516/6558478/09638378.pdf","source":{"id":"https://openalex.org/S2496326734","display_name":"IEEE Transactions on Emerging Topics in Computing","issn_l":"2168-6750","issn":["2168-6750","2376-4562"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Emerging Topics in Computing","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://ieeexplore.ieee.org/ielx7/6245516/6558478/09638378.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5040248957","display_name":"Florian Fricke","orcid":"https://orcid.org/0000-0002-6622-3202"},"institutions":[{"id":"https://openalex.org/I51783024","display_name":"Brandenburg University of Technology Cottbus-Senftenberg","ror":"https://ror.org/02wxx3e24","country_code":"DE","type":"education","lineage":["https://openalex.org/I51783024"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Florian Fricke","raw_affiliation_strings":["Brandenburg University of Technology Cottbus-Senftenberg, Cottbus, Germany"],"raw_orcid":"https://orcid.org/0000-0002-6622-3202","affiliations":[{"raw_affiliation_string":"Brandenburg University of Technology Cottbus-Senftenberg, Cottbus, Germany","institution_ids":["https://openalex.org/I51783024"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034556690","display_name":"Marcelo Brandalero","orcid":"https://orcid.org/0000-0002-0012-7023"},"institutions":[{"id":"https://openalex.org/I51783024","display_name":"Brandenburg University of Technology Cottbus-Senftenberg","ror":"https://ror.org/02wxx3e24","country_code":"DE","type":"education","lineage":["https://openalex.org/I51783024"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Marcelo Brandalero","raw_affiliation_strings":["Brandenburg University of Technology Cottbus-Senftenberg, Cottbus, Germany"],"raw_orcid":"https://orcid.org/0000-0002-0012-7023","affiliations":[{"raw_affiliation_string":"Brandenburg University of Technology Cottbus-Senftenberg, Cottbus, Germany","institution_ids":["https://openalex.org/I51783024"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052860844","display_name":"Sascha Liehr","orcid":"https://orcid.org/0000-0002-8153-413X"},"institutions":[{"id":"https://openalex.org/I1330165540","display_name":"Federal Institute For Materials Research and Testing","ror":"https://ror.org/03x516a66","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1330165540"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sascha Liehr","raw_affiliation_strings":["Bundesanstalt f&#x00FC;r Materialforschung und -pr&#x00FC;fung (BAM), Berlin, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bundesanstalt f&#x00FC;r Materialforschung und -pr&#x00FC;fung (BAM), Berlin, Germany","institution_ids":["https://openalex.org/I1330165540"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056446358","display_name":"Simon Kern","orcid":"https://orcid.org/0000-0002-5092-1591"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Simon Kern","raw_affiliation_strings":["S-PACT GmbH, Aachen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"S-PACT GmbH, Aachen, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040236445","display_name":"Klas Meyer","orcid":"https://orcid.org/0000-0003-1837-3801"},"institutions":[{"id":"https://openalex.org/I1330165540","display_name":"Federal Institute For Materials Research and Testing","ror":"https://ror.org/03x516a66","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1330165540"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Klas Meyer","raw_affiliation_strings":["Bundesanstalt f&#x00FC;r Materialforschung und -pr&#x00FC;fung (BAM), Berlin, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bundesanstalt f&#x00FC;r Materialforschung und -pr&#x00FC;fung (BAM), Berlin, Germany","institution_ids":["https://openalex.org/I1330165540"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042764613","display_name":"Stefan Kowarik","orcid":"https://orcid.org/0000-0001-7661-1949"},"institutions":[{"id":"https://openalex.org/I15766117","display_name":"University of Graz","ror":"https://ror.org/01faaaf77","country_code":"AT","type":"education","lineage":["https://openalex.org/I15766117"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Stefan Kowarik","raw_affiliation_strings":["University of Graz, Graz, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Graz, Graz, Austria","institution_ids":["https://openalex.org/I15766117"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036432720","display_name":"Robin Hierzegger","orcid":"https://orcid.org/0000-0003-4895-1705"},"institutions":[{"id":"https://openalex.org/I15766117","display_name":"University of Graz","ror":"https://ror.org/01faaaf77","country_code":"AT","type":"education","lineage":["https://openalex.org/I15766117"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Robin Hierzegger","raw_affiliation_strings":["University of Graz, Graz, Austria"],"raw_orcid":"https://orcid.org/0000-0003-4895-1705","affiliations":[{"raw_affiliation_string":"University of Graz, Graz, Austria","institution_ids":["https://openalex.org/I15766117"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046019852","display_name":"Stephan Westerdick","orcid":"https://orcid.org/0000-0001-5890-4991"},"institutions":[{"id":"https://openalex.org/I904495901","display_name":"Ruhr University Bochum","ror":"https://ror.org/04tsk2644","country_code":"DE","type":"education","lineage":["https://openalex.org/I904495901"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Stephan Westerdick","raw_affiliation_strings":["Ruhr-University of Bochum, Bochum, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ruhr-University of Bochum, Bochum, Germany","institution_ids":["https://openalex.org/I904495901"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019732628","display_name":"Michael Maiwald","orcid":"https://orcid.org/0000-0003-4309-728X"},"institutions":[{"id":"https://openalex.org/I1330165540","display_name":"Federal Institute For Materials Research and Testing","ror":"https://ror.org/03x516a66","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1330165540"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Michael Maiwald","raw_affiliation_strings":["Bundesanstalt f&#x00FC;r Materialforschung und -pr&#x00FC;fung (BAM), Berlin, Germany"],"raw_orcid":"https://orcid.org/0000-0003-4309-728X","affiliations":[{"raw_affiliation_string":"Bundesanstalt f&#x00FC;r Materialforschung und -pr&#x00FC;fung (BAM), Berlin, Germany","institution_ids":["https://openalex.org/I1330165540"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108437484","display_name":"Michael H\u00fcbner","orcid":"https://orcid.org/0000-0003-3785-7959"},"institutions":[{"id":"https://openalex.org/I51783024","display_name":"Brandenburg University of Technology Cottbus-Senftenberg","ror":"https://ror.org/02wxx3e24","country_code":"DE","type":"education","lineage":["https://openalex.org/I51783024"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Michael Hubner","raw_affiliation_strings":["Brandenburg University of Technology Cottbus-Senftenberg, Cottbus, Germany"],"raw_orcid":"https://orcid.org/0000-0002-1790-3869","affiliations":[{"raw_affiliation_string":"Brandenburg University of Technology Cottbus-Senftenberg, Cottbus, Germany","institution_ids":["https://openalex.org/I51783024"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5040248957"],"corresponding_institution_ids":["https://openalex.org/I51783024"],"apc_list":null,"apc_paid":null,"fwci":0.5902,"has_fulltext":true,"cited_by_count":11,"citation_normalized_percentile":{"value":0.62576687,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"10","issue":"1","first_page":"87","last_page":"98"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9969000220298767,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"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/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9969000220298767,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"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/T10876","display_name":"Fault Detection and Control Systems","score":0.9965999722480774,"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"}},{"id":"https://openalex.org/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.9889000058174133,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical 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/computer-science","display_name":"Computer science","score":0.697407066822052},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6075758337974548},{"id":"https://openalex.org/keywords/automation","display_name":"Automation","score":0.5939777493476868},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.5884914994239807},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.5076273679733276},{"id":"https://openalex.org/keywords/mass-spectrometry","display_name":"Mass spectrometry","score":0.49380502104759216},{"id":"https://openalex.org/keywords/process-control","display_name":"Process control","score":0.44756782054901123},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3404563069343567},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2212221920490265},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.13573011755943298},{"id":"https://openalex.org/keywords/mechanical-engineering","display_name":"Mechanical engineering","score":0.09032514691352844}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.697407066822052},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6075758337974548},{"id":"https://openalex.org/C115901376","wikidata":"https://www.wikidata.org/wiki/Q184199","display_name":"Automation","level":2,"score":0.5939777493476868},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.5884914994239807},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5076273679733276},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.49380502104759216},{"id":"https://openalex.org/C155386361","wikidata":"https://www.wikidata.org/wiki/Q1649571","display_name":"Process control","level":3,"score":0.44756782054901123},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3404563069343567},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2212221920490265},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.13573011755943298},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.09032514691352844},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/tetc.2021.3131371","is_oa":true,"landing_page_url":"https://doi.org/10.1109/tetc.2021.3131371","pdf_url":"https://ieeexplore.ieee.org/ielx7/6245516/6558478/09638378.pdf","source":{"id":"https://openalex.org/S2496326734","display_name":"IEEE Transactions on Emerging Topics in Computing","issn_l":"2168-6750","issn":["2168-6750","2376-4562"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Emerging Topics in Computing","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1109/tetc.2021.3131371","is_oa":true,"landing_page_url":"https://doi.org/10.1109/tetc.2021.3131371","pdf_url":"https://ieeexplore.ieee.org/ielx7/6245516/6558478/09638378.pdf","source":{"id":"https://openalex.org/S2496326734","display_name":"IEEE Transactions on Emerging Topics in Computing","issn_l":"2168-6750","issn":["2168-6750","2376-4562"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Emerging Topics in Computing","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4206634787.pdf","grobid_xml":"https://content.openalex.org/works/W4206634787.grobid-xml"},"referenced_works_count":18,"referenced_works":["https://openalex.org/W1575251177","https://openalex.org/W1965229818","https://openalex.org/W1974707312","https://openalex.org/W2305760118","https://openalex.org/W2343695530","https://openalex.org/W2553173084","https://openalex.org/W2637121726","https://openalex.org/W2752532133","https://openalex.org/W2905075737","https://openalex.org/W2913662467","https://openalex.org/W2939613151","https://openalex.org/W2965135561","https://openalex.org/W2983713406","https://openalex.org/W2996795721","https://openalex.org/W3014998807","https://openalex.org/W3023593421","https://openalex.org/W3046899717","https://openalex.org/W6780493881"],"related_works":["https://openalex.org/W2039926154","https://openalex.org/W4245064633","https://openalex.org/W4211232080","https://openalex.org/W1558182557","https://openalex.org/W1498663842","https://openalex.org/W2176797468","https://openalex.org/W4361792236","https://openalex.org/W2533662124","https://openalex.org/W3104608133","https://openalex.org/W1551480197"],"abstract_inverted_index":{"Mass":[0],"Spectrometry":[1],"(MS)":[2],"and":[3,12,31,40,51,80,85,101,134,167,169,177,186],"Nuclear":[4],"Magnetic":[5],"Resonance":[6],"Spectroscopy":[7],"(NMR)":[8],"are":[9,35,155],"valuable":[10],"analytical":[11],"quality":[13,190],"control":[14],"methods":[15,181],"for":[16,55,184],"most":[17],"industrial":[18],"chemical":[19],"processes":[20,34],"as":[21],"they":[22],"provide":[23],"information":[24],"on":[25,157],"the":[26,76,88,110,144,147,151,158,170],"concentrations":[27],"of":[28,49,78,83,116,146,150,160,165],"individual":[29],"compounds":[30,106],"by-products.":[32],"These":[33,139],"traditionally":[36],"carried":[37],"out":[38],"manually":[39],"by":[41,123,174],"a":[42,46,91,113,161],"specialist,":[43],"which":[44],"takes":[45],"substantial":[47],"amount":[48],"time":[50],"prevents":[52],"their":[53],"utilization":[54],"real-time":[56],"closed-loop":[57],"process":[58,152,187],"control.":[59,191],"This":[60],"paper":[61],"presents":[62],"recent":[63],"advances":[64],"from":[65],"two":[66],"projects":[67],"that":[68],"use":[69,164],"Artificial":[70],"Neural":[71],"Networks":[72],"(ANNs)":[73],"to":[74,97,104,126],"address":[75],"challenges":[77],"automation":[79],"performance-efficient":[81],"realizations":[82],"MS":[84,166],"NMR.":[86],"In":[87,109],"first":[89],"part,":[90,112],"complete":[92],"toolchain":[93],"has":[94],"been":[95,121],"realized":[96],"develop":[98],"simulated":[99,124],"spectra":[100,119],"train":[102,127],"ANNs":[103],"identify":[105],"in":[107,143],"MS.":[108],"second":[111],"limited":[114],"number":[115],"experimental":[117],"NMR":[118],"have":[120],"augmented":[122],"spectra,":[125],"an":[128],"ANN":[129],"with":[130],"better":[131],"prediction":[132],"performance":[133],"speed":[135],"than":[136],"state-of-the-art":[137],"analysis.":[138],"results":[140],"suggest":[141],"that,":[142],"context":[145],"digital":[148],"transformation":[149],"industry,":[153],"we":[154],"now":[156],"threshold":[159],"strongly":[162],"simplified":[163],"MRS":[168],"accompanying":[171],"data":[172],"evaluation":[173],"machine-supported":[175],"procedures,":[176],"can":[178],"utilize":[179],"both":[180],"much":[182],"wider":[183],"reaction":[185],"monitoring":[188],"or":[189]},"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
