{"id":"https://openalex.org/W3014294727","doi":"https://doi.org/10.1088/2632-2153/aba6f2","title":"Unsupervised classification of single-molecule data with autoencoders and transfer learning","display_name":"Unsupervised classification of single-molecule data with autoencoders and transfer learning","publication_year":2020,"publication_date":"2020-07-17","ids":{"openalex":"https://openalex.org/W3014294727","doi":"https://doi.org/10.1088/2632-2153/aba6f2","mag":"3014294727"},"language":"en","primary_location":{"id":"doi:10.1088/2632-2153/aba6f2","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/aba6f2","pdf_url":null,"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":"preprint","indexed_in":["arxiv","crossref","datacite","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1088/2632-2153/aba6f2","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5073307285","display_name":"Anton Vladyka","orcid":"https://orcid.org/0000-0003-1770-8139"},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Anton Vladyka","raw_affiliation_strings":["School of Chemistry, University of Birmingham, Edgbaston Campus, Birmingham B15 2TT, United Kingdom"],"raw_orcid":"https://orcid.org/0000-0003-1770-8139","affiliations":[{"raw_affiliation_string":"School of Chemistry, University of Birmingham, Edgbaston Campus, Birmingham B15 2TT, United Kingdom","institution_ids":["https://openalex.org/I79619799"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012485649","display_name":"Tim Albrecht","orcid":"https://orcid.org/0000-0001-6085-3206"},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Tim Albrecht","raw_affiliation_strings":["School of Chemistry, University of Birmingham, Edgbaston Campus, Birmingham B15 2TT, United Kingdom","UNIVERSITY OF BIRMINGHAM"],"raw_orcid":"https://orcid.org/0000-0001-6085-3206","affiliations":[{"raw_affiliation_string":"School of Chemistry, University of Birmingham, Edgbaston Campus, Birmingham B15 2TT, United Kingdom","institution_ids":["https://openalex.org/I79619799"]},{"raw_affiliation_string":"UNIVERSITY OF BIRMINGHAM","institution_ids":["https://openalex.org/I79619799"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5012485649"],"corresponding_institution_ids":["https://openalex.org/I79619799"],"apc_list":{"value":1600,"currency":"GBP","value_usd":1962},"apc_paid":{"value":1600,"currency":"GBP","value_usd":1962},"fwci":0.1589,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.38168718,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":96},"biblio":{"volume":"1","issue":"3","first_page":"035013","last_page":"035013"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9995999932289124,"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":0.9995999932289124,"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/T10913","display_name":"Molecular Junctions and Nanostructures","score":0.9932000041007996,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic 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/T10044","display_name":"Protein Structure and Dynamics","score":0.987500011920929,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/transfer-of-learning","display_name":"Transfer of learning","score":0.718205988407135},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7166655659675598},{"id":"https://openalex.org/keywords/dimensionality-reduction","display_name":"Dimensionality reduction","score":0.6565911769866943},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6524782180786133},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.6227425336837769},{"id":"https://openalex.org/keywords/unsupervised-learning","display_name":"Unsupervised learning","score":0.5845428705215454},{"id":"https://openalex.org/keywords/curse-of-dimensionality","display_name":"Curse of dimensionality","score":0.5519301295280457},{"id":"https://openalex.org/keywords/a-priori-and-a-posteriori","display_name":"A priori and a posteriori","score":0.548710823059082},{"id":"https://openalex.org/keywords/variety","display_name":"Variety (cybernetics)","score":0.5482672452926636},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.45640528202056885},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.4487534761428833},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.41539621353149414}],"concepts":[{"id":"https://openalex.org/C150899416","wikidata":"https://www.wikidata.org/wiki/Q1820378","display_name":"Transfer of learning","level":2,"score":0.718205988407135},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7166655659675598},{"id":"https://openalex.org/C70518039","wikidata":"https://www.wikidata.org/wiki/Q16000077","display_name":"Dimensionality reduction","level":2,"score":0.6565911769866943},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6524782180786133},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.6227425336837769},{"id":"https://openalex.org/C8038995","wikidata":"https://www.wikidata.org/wiki/Q1152135","display_name":"Unsupervised learning","level":2,"score":0.5845428705215454},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.5519301295280457},{"id":"https://openalex.org/C75553542","wikidata":"https://www.wikidata.org/wiki/Q178161","display_name":"A priori and a posteriori","level":2,"score":0.548710823059082},{"id":"https://openalex.org/C136197465","wikidata":"https://www.wikidata.org/wiki/Q1729295","display_name":"Variety (cybernetics)","level":2,"score":0.5482672452926636},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.45640528202056885},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.4487534761428833},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.41539621353149414},{"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":5,"locations":[{"id":"doi:10.1088/2632-2153/aba6f2","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/aba6f2","pdf_url":null,"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:arXiv.org:2004.01239","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2004.01239","pdf_url":"https://arxiv.org/pdf/2004.01239","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},{"id":"mag:3014294727","is_oa":true,"landing_page_url":"http://arxiv.org/pdf/2004.01239.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"arXiv (Cornell University)","raw_type":null},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/cac55266-9765-428c-84f3-e8a9b7dc4fd6","is_oa":true,"landing_page_url":"https://research.birmingham.ac.uk/en/publications/cac55266-9765-428c-84f3-e8a9b7dc4fd6","pdf_url":null,"source":{"id":"https://openalex.org/S4306402634","display_name":"University of Birmingham Research Portal (University of Birmingham)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I79619799","host_organization_name":"University of Birmingham","host_organization_lineage":["https://openalex.org/I79619799"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Vladyka, A & Albrecht, T 2020, 'Unsupervised classification of single-molecule data with autoencoders and transfer learning', Machine Learning: Science and Technology, vol. 1, 035013. https://doi.org/10.1088/2632-2153/aba6f2","raw_type":"article"},{"id":"doi:10.48550/arxiv.2004.01239","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2004.01239","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.1088/2632-2153/aba6f2","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/aba6f2","pdf_url":null,"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":[],"awards":[{"id":"https://openalex.org/G11400541","display_name":"Artificial and Augmented Intelligence for Automated Scientific Discovery","funder_award_id":"EP/S000356/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G3069159407","display_name":null,"funder_award_id":"EP/S000356/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G97953473","display_name":null,"funder_award_id":"RPG-2014-225","funder_id":"https://openalex.org/F4320319993","funder_display_name":"Leverhulme Trust"}],"funders":[{"id":"https://openalex.org/F4320319993","display_name":"Leverhulme Trust","ror":"https://ror.org/012mzw131"},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":30,"referenced_works":["https://openalex.org/W1966587447","https://openalex.org/W1968708161","https://openalex.org/W1973071770","https://openalex.org/W1980329425","https://openalex.org/W2050079819","https://openalex.org/W2054081345","https://openalex.org/W2100495367","https://openalex.org/W2128728535","https://openalex.org/W2187089797","https://openalex.org/W2296507221","https://openalex.org/W2334750530","https://openalex.org/W2528171175","https://openalex.org/W2529704063","https://openalex.org/W2613888280","https://openalex.org/W2615051847","https://openalex.org/W2741056065","https://openalex.org/W2752919824","https://openalex.org/W2789988487","https://openalex.org/W2808961480","https://openalex.org/W2911216456","https://openalex.org/W2912152471","https://openalex.org/W2923550338","https://openalex.org/W2938252316","https://openalex.org/W2996143433","https://openalex.org/W3000284652","https://openalex.org/W6631190155","https://openalex.org/W6637373629","https://openalex.org/W6684191040","https://openalex.org/W6687483927","https://openalex.org/W6750692614"],"related_works":["https://openalex.org/W3042572020","https://openalex.org/W3160532032","https://openalex.org/W2976066654","https://openalex.org/W2105406322","https://openalex.org/W3091948737","https://openalex.org/W2949180264","https://openalex.org/W2408123829","https://openalex.org/W3034418897","https://openalex.org/W2998388430","https://openalex.org/W3199277501","https://openalex.org/W2135306627","https://openalex.org/W2950861213","https://openalex.org/W3156272464","https://openalex.org/W3035149489","https://openalex.org/W2073161435","https://openalex.org/W2963340147","https://openalex.org/W3096252355","https://openalex.org/W3100300767","https://openalex.org/W2963449250","https://openalex.org/W2963586005"],"abstract_inverted_index":{"Abstract":[0],"Datasets":[1],"from":[2],"single-molecule":[3,82],"experiments":[4],"often":[5],"reflect":[6],"a":[7,30],"large":[8],"variety":[9],"of":[10,15,61,92,99,120],"molecular":[11],"behaviour.":[12],"The":[13],"exploration":[14],"such":[16],"datasets":[17],"can":[18,52,72,112],"be":[19,39,73,114],"challenging,":[20],"especially":[21],"if":[22,117],"knowledge":[23],"about":[24,33],"the":[25,59,118],"data":[26,35,123],"is":[27,47,124],"limited":[28],"and":[29,58,77],"priori":[31],"assumptions":[32],"expected":[34],"characteristics":[36,46],"are":[37],"to":[38,55,75],"avoided.":[40],"Indeed,":[41],"searching":[42],"for":[43],"pre-defined":[44],"signal":[45],"sometimes":[48],"useful,":[49],"but":[50],"it":[51],"also":[53,106],"lead":[54],"information":[56],"loss":[57],"introduction":[60],"expectation":[62],"bias.":[63],"Here,":[64],"we":[65],"demonstrate":[66],"how":[67,108],"Transfer":[68],"Learning-enhanced":[69],"dimensionality":[70],"reduction":[71],"employed":[74],"identify":[76],"quantify":[78],"hidden":[79],"features":[80],"in":[81,86],"charge":[83],"transport":[84],"data,":[85,103],"an":[87],"unsupervised":[88],"manner.":[89],"Taking":[90],"advantage":[91],"open-access":[93],"neural":[94],"networks":[95],"trained":[96],"on":[97],"millions":[98],"seemingly":[100],"unrelated":[101],"image":[102],"our":[104],"results":[105],"show":[107],"Deep":[109],"Learning":[110],"methodologies":[111],"readily":[113],"employed,":[115],"even":[116],"amount":[119],"problem-specific,":[121],"\u2018own\u2019":[122],"limited.":[125]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2020,"cited_by_count":2}],"updated_date":"2026-07-03T08:13:44.112507","created_date":"2025-10-10T00:00:00"}