{"id":"https://openalex.org/W7160518112","doi":"https://doi.org/10.48550/arxiv.2605.04708","title":"Differentiable Chemistry in PINNs for Solving Parameterized and Stiff Reaction Systems","display_name":"Differentiable Chemistry in PINNs for Solving Parameterized and Stiff Reaction Systems","publication_year":2026,"publication_date":"2026-05-06","ids":{"openalex":"https://openalex.org/W7160518112","doi":"https://doi.org/10.48550/arxiv.2605.04708"},"language":null,"primary_location":{"id":"doi:10.48550/arxiv.2605.04708","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2605.04708","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":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"type":"preprint","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.48550/arxiv.2605.04708","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5119959107","display_name":"Milos Babic","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Babi\u0107, Milo\u0161","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5135566130","display_name":"Franz M. Rohrhofer","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rohrhofer, Franz M.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5019561227","display_name":"Stefan Posch","orcid":"https://orcid.org/0000-0002-2688-8701"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Posch, Stefan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5119959107"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11206","display_name":"Model Reduction and Neural Networks","score":0.8163999915122986,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11206","display_name":"Model Reduction and Neural Networks","score":0.8163999915122986,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"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":0.11869999766349792,"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/T12611","display_name":"Neural Networks and Reservoir Computing","score":0.019200000911951065,"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/parameterized-complexity","display_name":"Parameterized complexity","score":0.7720000147819519},{"id":"https://openalex.org/keywords/differentiable-function","display_name":"Differentiable function","score":0.6735000014305115},{"id":"https://openalex.org/keywords/solver","display_name":"Solver","score":0.6299999952316284},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.5782999992370605},{"id":"https://openalex.org/keywords/ordinary-differential-equation","display_name":"Ordinary differential equation","score":0.48339998722076416},{"id":"https://openalex.org/keywords/ode","display_name":"Ode","score":0.4740000069141388},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.398499995470047},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.3368000090122223}],"concepts":[{"id":"https://openalex.org/C165464430","wikidata":"https://www.wikidata.org/wiki/Q1570441","display_name":"Parameterized complexity","level":2,"score":0.7720000147819519},{"id":"https://openalex.org/C202615002","wikidata":"https://www.wikidata.org/wiki/Q783507","display_name":"Differentiable function","level":2,"score":0.6735000014305115},{"id":"https://openalex.org/C2778770139","wikidata":"https://www.wikidata.org/wiki/Q1966904","display_name":"Solver","level":2,"score":0.6299999952316284},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5782999992370605},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5210000276565552},{"id":"https://openalex.org/C51544822","wikidata":"https://www.wikidata.org/wiki/Q465274","display_name":"Ordinary differential equation","level":3,"score":0.48339998722076416},{"id":"https://openalex.org/C34862557","wikidata":"https://www.wikidata.org/wiki/Q178985","display_name":"Ode","level":2,"score":0.4740000069141388},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.4465000033378601},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.398499995470047},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3398999869823456},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.3368000090122223},{"id":"https://openalex.org/C26517878","wikidata":"https://www.wikidata.org/wiki/Q228039","display_name":"Key (lock)","level":2,"score":0.33550000190734863},{"id":"https://openalex.org/C13355873","wikidata":"https://www.wikidata.org/wiki/Q2920850","display_name":"Connection (principal bundle)","level":2,"score":0.32739999890327454},{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.3264999985694885},{"id":"https://openalex.org/C183115368","wikidata":"https://www.wikidata.org/wiki/Q856577","display_name":"Weighting","level":2,"score":0.3237999975681305},{"id":"https://openalex.org/C93779851","wikidata":"https://www.wikidata.org/wiki/Q271977","display_name":"Partial differential equation","level":2,"score":0.32280001044273376},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3188000023365021},{"id":"https://openalex.org/C155512373","wikidata":"https://www.wikidata.org/wiki/Q287450","display_name":"Residual","level":2,"score":0.3142000138759613},{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.30160000920295715},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.30070000886917114},{"id":"https://openalex.org/C135252773","wikidata":"https://www.wikidata.org/wiki/Q1567213","display_name":"Inverse problem","level":2,"score":0.29809999465942383},{"id":"https://openalex.org/C78045399","wikidata":"https://www.wikidata.org/wiki/Q11214","display_name":"Differential equation","level":2,"score":0.2955000102519989},{"id":"https://openalex.org/C73000952","wikidata":"https://www.wikidata.org/wiki/Q17007827","display_name":"Discretization","level":2,"score":0.2632000148296356},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2540000081062317},{"id":"https://openalex.org/C117251300","wikidata":"https://www.wikidata.org/wiki/Q1849855","display_name":"Parametric statistics","level":2,"score":0.25029999017715454}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.48550/arxiv.2605.04708","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2605.04708","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":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"doi:10.48550/arxiv.2605.04708","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2605.04708","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":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"From":[0],"neural":[1,57,82,143],"ODEs":[2],"to":[3,14,27,59,76,100,114,140,145],"continuous-time":[4],"machine":[5],"learning,":[6],"differentiable":[7,50,87],"solvers":[8],"allow":[9],"physics,":[10],"optimization,":[11],"and":[12,96,125],"simulation":[13],"become":[15],"trainable":[16],"components":[17,74],"within":[18],"deep":[19,32],"learning":[20,33],"systems.":[21],"This":[22],"has":[23],"opened":[24],"the":[25,105,134,137],"path":[26],"a":[28,49,54,86,90,108,126],"new":[29],"generation":[30],"of":[31,79,110,136],"frameworks":[34],"for":[35,93],"scientific":[36],"computing,":[37],"with":[38],"many":[39],"promising":[40],"applications":[41],"still":[42],"emerging.":[43],"In":[44],"this":[45],"paper,":[46],"we":[47],"integrate":[48],"chemistry":[51,88],"solver":[52],"into":[53],"modified":[55],"physics-informed":[56,81,142],"network":[58,91],"solve":[60],"parameterized":[61,94,127],"reaction":[62],"systems":[63,148],"that":[64,149],"are":[65],"inherently":[66],"stiff.":[67],"The":[68],"proposed":[69,138],"framework":[70,106],"introduces":[71],"several":[72],"key":[73],"required":[75],"overcome":[77],"limitations":[78],"standard":[80],"networks.":[83],"These":[84],"include":[85,118],"solver,":[89],"architecture":[92],"solutions,":[95],"residual":[97],"weighting":[98],"tailored":[99],"stiff":[101,146],"reactions.":[102],"We":[103],"evaluate":[104],"on":[107],"set":[109],"differential":[111,129],"equations":[112],"related":[113],"hydrogen":[115],"combustion,":[116],"which":[117],"initial/boundary":[119],"value":[120],"problems,":[121],"inverse":[122],"parameter":[123],"identification,":[124],"partial":[128],"equation.":[130],"Our":[131],"results":[132],"highlight":[133],"ability":[135],"approach":[139],"extend":[141],"networks":[144],"chemical":[147],"were":[150],"previously":[151],"inaccessible.":[152]},"counts_by_year":[],"updated_date":"2026-05-08T13:18:25.657630","created_date":"2026-05-08T00:00:00"}