{"id":"https://openalex.org/W4401115409","doi":"https://doi.org/10.1016/j.ces.2024.120580","title":"Integrating knowledge-guided symbolic regression and model-based design of experiments to automate process flow diagram development","display_name":"Integrating knowledge-guided symbolic regression and model-based design of experiments to automate process flow diagram development","publication_year":2024,"publication_date":"2024-07-30","ids":{"openalex":"https://openalex.org/W4401115409","doi":"https://doi.org/10.1016/j.ces.2024.120580"},"language":"en","primary_location":{"id":"doi:10.1016/j.ces.2024.120580","doi":"https://doi.org/10.1016/j.ces.2024.120580","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.ces.2024.120580","pdf_url":null,"source":{"id":"https://openalex.org/S33892871","display_name":"Chemical Engineering Science","issn_l":"0009-2509","issn":["0009-2509","1873-4405"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-3","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Engineering Science","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1016/j.ces.2024.120580","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5041541416","display_name":"Alexander W. Rogers","orcid":"https://orcid.org/0000-0003-2298-6520","observed_orcids":["https://orcid.org/0000-0003-2298-6520"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Alexander W. Rogers","raw_affiliation_strings":["Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester M1 3AL, UK"],"raw_orcid":"https://orcid.org/0000-0003-2298-6520","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester M1 3AL, UK","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050029481","display_name":"Amanda Lane","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Amanda Lane","raw_affiliation_strings":["Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083150672","display_name":"C\u00e9sar Mendoza","orcid":"https://orcid.org/0000-0003-4109-3250","observed_orcids":["https://orcid.org/0000-0003-4109-3250"]},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Cesar Mendoza","raw_affiliation_strings":["Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Simon Watson","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Simon Watson","raw_affiliation_strings":["Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083213958","display_name":"Adam Kowalski","orcid":"https://orcid.org/0000-0003-0172-2622","observed_orcids":["https://orcid.org/0000-0003-0172-2622"]},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Adam Kowalski","raw_affiliation_strings":["Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever R&D Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057417784","display_name":"Philip A. Martin","orcid":"https://orcid.org/0000-0001-5401-1176","observed_orcids":["https://orcid.org/0000-0001-5401-1176"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Philip Martin","raw_affiliation_strings":["Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester M1 3AL, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester M1 3AL, UK","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060238679","display_name":"Dongda Zhang","orcid":"https://orcid.org/0000-0001-5956-4618","observed_orcids":["https://orcid.org/0000-0001-5956-4618"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Dongda Zhang","raw_affiliation_strings":["Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester M1 3AL, UK"],"raw_orcid":"https://orcid.org/0000-0001-5956-4618","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester M1 3AL, UK","institution_ids":["https://openalex.org/I28407311"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5060238679"],"corresponding_institution_ids":["https://openalex.org/I28407311"],"apc_list":{"value":3930,"currency":"USD","value_usd":3930},"apc_paid":{"value":3930,"currency":"USD","value_usd":3930},"fwci":4.2694,"has_fulltext":true,"cited_by_count":14,"citation_normalized_percentile":{"value":0.9440453,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"300","issue":null,"first_page":"120580","last_page":"120580"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11798","display_name":"Optimal Experimental Design Methods","score":0.73580002784729,"subfield":{"id":"https://openalex.org/subfields/1803","display_name":"Management Science and Operations Research"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T11798","display_name":"Optimal Experimental Design Methods","score":0.73580002784729,"subfield":{"id":"https://openalex.org/subfields/1803","display_name":"Management Science and Operations Research"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.10249999910593033,"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/T11053","display_name":"Process Optimization and Integration","score":0.0820000022649765,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/symbolic-regression","display_name":"symbolic regression","score":0.8600000143051147},{"id":"https://openalex.org/keywords/model-based-design-of-experiments","display_name":"model-based design of experiments","score":0.9919999837875366},{"id":"https://openalex.org/keywords/formulated-products","display_name":"formulated products","score":0.5289999842643738},{"id":"https://openalex.org/keywords/scale-up","display_name":"scale-up","score":0.7020000219345093},{"id":"https://openalex.org/keywords/pareto-front","display_name":"Pareto front","score":0.7250000238418579},{"id":"https://openalex.org/keywords/digital-manufacturing","display_name":"digital manufacturing","score":0.7390000224113464}],"concepts":[{"id":"https://openalex.org/C186399060","wikidata":"https://www.wikidata.org/wiki/Q959962","display_name":"Diagram","level":2,"score":0.6345242857933044},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5383995175361633},{"id":"https://openalex.org/C489000","wikidata":"https://www.wikidata.org/wiki/Q747385","display_name":"Data flow diagram","level":2,"score":0.521609902381897},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5192813277244568},{"id":"https://openalex.org/C2776400721","wikidata":"https://www.wikidata.org/wiki/Q18171762","display_name":"Symbolic regression","level":3,"score":0.4177200496196747},{"id":"https://openalex.org/C199639397","wikidata":"https://www.wikidata.org/wiki/Q1788588","display_name":"Engineering drawing","level":1,"score":0.4076880216598511},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.29473885893821716},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2559860944747925},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.21464189887046814},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.11109602451324463},{"id":"https://openalex.org/C110332635","wikidata":"https://www.wikidata.org/wiki/Q629498","display_name":"Genetic programming","level":2,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1016/j.ces.2024.120580","doi":"https://doi.org/10.1016/j.ces.2024.120580","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.ces.2024.120580","pdf_url":null,"source":{"id":"https://openalex.org/S33892871","display_name":"Chemical Engineering Science","issn_l":"0009-2509","issn":["0009-2509","1873-4405"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-3","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Engineering Science","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:2405.04592","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2405.04592","pdf_url":"https://arxiv.org/pdf/2405.04592","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/725a901a-b53e-45d6-98d3-5cf1cd6570e1","doi":null,"is_oa":true,"landing_page_url":"https://research.manchester.ac.uk/en/publications/725a901a-b53e-45d6-98d3-5cf1cd6570e1","pdf_url":null,"source":{"id":"https://openalex.org/S4306400662","display_name":"Research Explorer (The University of Manchester)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I28407311","host_organization_name":"University of Manchester","host_organization_lineage":["https://openalex.org/I28407311"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Rogers, A W, Lane, A, Mendoza, C, Watson, S, Kowalski, A, Martin, P & Zhang, D 2024, 'Integrating knowledge-guided symbolic regression and model-based design of experiments to automate process flow diagram development', Chemical Engineering Science, vol. 300, 120580. https://doi.org/10.1016/j.ces.2024.120580","raw_type":"info:eu-repo/semantics/article"},{"id":"doi:10.48550/arxiv.2405.04592","doi":"https://doi.org/10.48550/arxiv.2405.04592","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2405.04592","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.1016/j.ces.2024.120580","doi":"https://doi.org/10.1016/j.ces.2024.120580","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.ces.2024.120580","pdf_url":null,"source":{"id":"https://openalex.org/S33892871","display_name":"Chemical Engineering Science","issn_l":"0009-2509","issn":["0009-2509","1873-4405"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-3","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Engineering Science","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","score":0.7207000255584717,"id":"https://metadata.un.org/sdg/9"}],"study_designs":[],"awards":[],"funders":[{"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/W1500470240","https://openalex.org/W2036407535","https://openalex.org/W2051959027","https://openalex.org/W2058815839","https://openalex.org/W2070519533","https://openalex.org/W2146855196","https://openalex.org/W2239232218","https://openalex.org/W2402945115","https://openalex.org/W2417863416","https://openalex.org/W2525748878","https://openalex.org/W2581741973","https://openalex.org/W2947630964","https://openalex.org/W2949676527","https://openalex.org/W2967121715","https://openalex.org/W3003257820","https://openalex.org/W3014869516","https://openalex.org/W3108803631","https://openalex.org/W3129940801","https://openalex.org/W3150767555","https://openalex.org/W3161872738","https://openalex.org/W3164124231","https://openalex.org/W4210683907","https://openalex.org/W4212961835","https://openalex.org/W4224312273","https://openalex.org/W4303699662","https://openalex.org/W4304889280","https://openalex.org/W4310760453","https://openalex.org/W4368303491","https://openalex.org/W4383500833","https://openalex.org/W4384559431"],"related_works":["https://openalex.org/W4400032308","https://openalex.org/W4402308222","https://openalex.org/W4407367194","https://openalex.org/W7135076938","https://openalex.org/W4414455669","https://openalex.org/W4414594717","https://openalex.org/W4405253763","https://openalex.org/W7164815904","https://openalex.org/W7036139212","https://openalex.org/W7168188425"],"abstract_inverted_index":{"New":[0],"products":[1],"must":[2,34],"be":[3,20],"formulated":[4,11,111],"rapidly":[5],"to":[6,57,91,116],"succeed":[7],"in":[8],"the":[9,26,100,140],"global":[10],"product":[12,16,112,148],"market;":[13],"however,":[14],"key":[15],"indicators":[17],"(KPIs)":[18],"can":[19],"complex,":[21],"poorly":[22],"understood":[23],"functions":[24],"of":[25,70,80,108],"chemical":[27,142],"composition":[28],"and":[29,47,84,147],"processing":[30],"history.":[31],"Consequently,":[32],"scale-up":[33],"currently":[35],"undergo":[36],"expensive":[37],"trial-and-error":[38],"campaigns.":[39],"To":[40,98],"accelerate":[41],"process":[42,60,105,129],"flow":[43],"diagram":[44],"(PFD)":[45],"optimisation":[46],"knowledge":[48],"discovery,":[49],"this":[50],"work":[51],"proposed":[52,76],"a":[53,77,88,103,132],"novel":[54],"digital":[55,145],"framework":[56,125],"automatically":[58],"quantify":[59],"mechanisms":[61,130],"by":[62],"integrating":[63],"symbolic":[64],"regression":[65],"(SR)":[66],"within":[67,131],"model-based":[68],"design":[69],"experiments":[71],"(MbDoE).":[72],"Each":[73],"iteration,":[74],"SR":[75],"Pareto":[78],"front":[79],"interpretable":[81],"mechanistic":[82],"expressions,":[83],"then":[85],"MbDoE":[86],"designed":[87],"new":[89,104],"experiment":[90],"discriminate":[92],"them":[93],"while":[94],"balancing":[95],"PFD":[96],"optimisation.":[97],"investigate":[99],"framework\u2019s":[101],"performance,":[102],"model":[106],"capable":[107],"simulating":[109],"general":[110,141],"synthesis":[113],"was":[114],"constructed":[115],"generate":[117],"in-silico":[118],"data":[119],"for":[120,139,144],"different":[121],"case":[122],"studies.":[123],"The":[124],"effectively":[126],"discoverd":[127],"ground-truth":[128],"few":[133],"iterations,":[134],"indicating":[135],"its":[136],"great":[137],"potential":[138],"industry":[143],"manufacturing":[146],"innovation.":[149]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":10}],"updated_date":"2026-10-17T09:40:24.721904","created_date":"2024-07-31T00:00:00"}