{"id":"https://openalex.org/W4411334683","doi":"https://doi.org/10.1088/2632-2153/ade4ee","title":"NeuralPDR: neural differential equations as surrogate models for photodissociation regions","display_name":"NeuralPDR: neural differential equations as surrogate models for photodissociation regions","publication_year":2025,"publication_date":"2025-06-16","ids":{"openalex":"https://openalex.org/W4411334683","doi":"https://doi.org/10.1088/2632-2153/ade4ee"},"language":"en","primary_location":{"id":"doi:10.1088/2632-2153/ade4ee","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ade4ee","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":"article","indexed_in":["arxiv","crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1088/2632-2153/ade4ee","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5073881578","display_name":"Gijs Vermari\u00ebn","orcid":"https://orcid.org/0000-0002-4346-5858"},"institutions":[{"id":"https://openalex.org/I121797337","display_name":"Leiden University","ror":"https://ror.org/027bh9e22","country_code":"NL","type":"education","lineage":["https://openalex.org/I121797337"]},{"id":"https://openalex.org/I4210090210","display_name":"SURF","ror":"https://ror.org/009vhk114","country_code":"NL","type":"other","lineage":["https://openalex.org/I4210090210"]}],"countries":["NL"],"is_corresponding":true,"raw_author_name":"Gijs Vermari\u00ebn","raw_affiliation_strings":["SURF, Amsterdam, The Netherlands","Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"SURF, Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I4210090210"]},{"raw_affiliation_string":"Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands","institution_ids":["https://openalex.org/I121797337"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009388600","display_name":"Thomas G. Bisbas","orcid":"https://orcid.org/0000-0003-2733-4580"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Thomas G Bisbas","raw_affiliation_strings":["Research Center for Astronomical Computing, Zhejiang Lab, Hangzhou 311100, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"Research Center for Astronomical Computing, Zhejiang Lab, Hangzhou 311100, People's Republic of China","institution_ids":["https://openalex.org/I4210123185"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066335883","display_name":"S. Viti","orcid":"https://orcid.org/0000-0001-8504-8844"},"institutions":[{"id":"https://openalex.org/I121797337","display_name":"Leiden University","ror":"https://ror.org/027bh9e22","country_code":"NL","type":"education","lineage":["https://openalex.org/I121797337"]},{"id":"https://openalex.org/I135140700","display_name":"University of Bonn","ror":"https://ror.org/041nas322","country_code":"DE","type":"education","lineage":["https://openalex.org/I135140700"]},{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]}],"countries":["DE","GB","NL"],"is_corresponding":true,"raw_author_name":"Serena Viti","raw_affiliation_strings":["Department of Physics and Astronomy, University College London, Gower Street, London, United Kingdom","Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands","Transdisciplinary Research Area (TRA)'Matter'/Argelander-Institut f\u00fcr Astronomie, University of Bonn, Bonn, Germany"],"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, University College London, Gower Street, London, United Kingdom","institution_ids":["https://openalex.org/I45129253"]},{"raw_affiliation_string":"Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands","institution_ids":["https://openalex.org/I121797337"]},{"raw_affiliation_string":"Transdisciplinary Research Area (TRA)'Matter'/Argelander-Institut f\u00fcr Astronomie, University of Bonn, Bonn, Germany","institution_ids":["https://openalex.org/I135140700"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102711454","display_name":"Yue Zhao","orcid":"https://orcid.org/0009-0005-4074-5116"},"institutions":[{"id":"https://openalex.org/I4210090210","display_name":"SURF","ror":"https://ror.org/009vhk114","country_code":"NL","type":"other","lineage":["https://openalex.org/I4210090210"]}],"countries":["NL"],"is_corresponding":true,"raw_author_name":"Yue Zhao","raw_affiliation_strings":["SURF, Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"SURF, Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I4210090210"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106725817","display_name":"X. D. Tang","orcid":null},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xuefei Tang","raw_affiliation_strings":["Research Center for Astronomical Computing, Zhejiang Lab, Hangzhou 311100, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"Research Center for Astronomical Computing, Zhejiang Lab, Hangzhou 311100, People's Republic of China","institution_ids":["https://openalex.org/I4210123185"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112706286","display_name":"Ramprasad Ravichandran","orcid":null},"institutions":[{"id":"https://openalex.org/I121797337","display_name":"Leiden University","ror":"https://ror.org/027bh9e22","country_code":"NL","type":"education","lineage":["https://openalex.org/I121797337"]}],"countries":["NL"],"is_corresponding":true,"raw_author_name":"Rahul Ravichandran","raw_affiliation_strings":["Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands","institution_ids":["https://openalex.org/I121797337"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5009388600","https://openalex.org/A5066335883","https://openalex.org/A5073881578","https://openalex.org/A5102711454","https://openalex.org/A5106725817","https://openalex.org/A5112706286"],"corresponding_institution_ids":["https://openalex.org/I121797337","https://openalex.org/I135140700","https://openalex.org/I4210090210","https://openalex.org/I4210123185","https://openalex.org/I45129253"],"apc_list":{"value":1600,"currency":"GBP","value_usd":1962},"apc_paid":{"value":1600,"currency":"GBP","value_usd":1962},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.18184353,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"6","issue":"2","first_page":"025069","last_page":"025069"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10466","display_name":"Meteorological Phenomena and Simulations","score":0.9484000205993652,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10466","display_name":"Meteorological Phenomena and Simulations","score":0.9484000205993652,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12019","display_name":"Calibration and Measurement Techniques","score":0.9221000075340271,"subfield":{"id":"https://openalex.org/subfields/2202","display_name":"Aerospace 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/T12389","display_name":"Infrared Target Detection Methodologies","score":0.9093000292778015,"subfield":{"id":"https://openalex.org/subfields/2202","display_name":"Aerospace 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/photodissociation","display_name":"Photodissociation","score":0.6727951765060425},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.36344102025032043},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3323916792869568},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.27892380952835083},{"id":"https://openalex.org/keywords/photochemistry","display_name":"Photochemistry","score":0.14513474702835083}],"concepts":[{"id":"https://openalex.org/C54582936","wikidata":"https://www.wikidata.org/wiki/Q16814","display_name":"Photodissociation","level":2,"score":0.6727951765060425},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.36344102025032043},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3323916792869568},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.27892380952835083},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.14513474702835083}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1088/2632-2153/ade4ee","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ade4ee","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:2506.14270","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2506.14270","pdf_url":"https://arxiv.org/pdf/2506.14270","source":{"id":"https://openalex.org/S4393918464","display_name":"ArXiv.org","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"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":"pmh:oai:doaj.org/article:99f5e165adf14680adfc0f09940466f9","is_oa":true,"landing_page_url":"https://doaj.org/article/99f5e165adf14680adfc0f09940466f9","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Machine Learning: Science and Technology, Vol 6, Iss 2, p 025069 (2025)","raw_type":"article"},{"id":"pmh:oai:scholarlypublications.universiteitleiden.nl:item_4288554","is_oa":false,"landing_page_url":"https://ui.adsabs.harvard.edu/abs/2025MLS&T...6b5069V","pdf_url":null,"source":{"id":"https://openalex.org/S4306400850","display_name":"Leiden Repository (Leiden University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I121797337","host_organization_name":"Leiden University","host_organization_lineage":["https://openalex.org/I121797337"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1088/2632-2153/ade4ee","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/ade4ee","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":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":63,"referenced_works":["https://openalex.org/W1815076433","https://openalex.org/W1927035656","https://openalex.org/W1976579441","https://openalex.org/W2011301426","https://openalex.org/W2037131602","https://openalex.org/W2079038427","https://openalex.org/W2115022808","https://openalex.org/W2116055501","https://openalex.org/W2122538988","https://openalex.org/W2127648117","https://openalex.org/W2608183658","https://openalex.org/W2908510526","https://openalex.org/W2948854433","https://openalex.org/W2956979841","https://openalex.org/W2958796454","https://openalex.org/W2963263347","https://openalex.org/W2963641970","https://openalex.org/W2963755523","https://openalex.org/W3039689569","https://openalex.org/W3093556332","https://openalex.org/W3105058559","https://openalex.org/W3154023845","https://openalex.org/W3176095132","https://openalex.org/W3197549883","https://openalex.org/W3200207687","https://openalex.org/W3200208184","https://openalex.org/W4226047355","https://openalex.org/W4282842160","https://openalex.org/W4285787455","https://openalex.org/W4310342675","https://openalex.org/W4310872819","https://openalex.org/W4386754425","https://openalex.org/W4386864340","https://openalex.org/W4389326242","https://openalex.org/W4389708715","https://openalex.org/W4392123809","https://openalex.org/W4392887243","https://openalex.org/W4396815331","https://openalex.org/W4399930122","https://openalex.org/W4400497743","https://openalex.org/W4402524240","https://openalex.org/W4404314641","https://openalex.org/W4405033525","https://openalex.org/W4414195818","https://openalex.org/W6638545294","https://openalex.org/W6726497184","https://openalex.org/W6752307458","https://openalex.org/W6755056417","https://openalex.org/W6757817989","https://openalex.org/W6760979436","https://openalex.org/W6765671628","https://openalex.org/W6779805975","https://openalex.org/W6793568813","https://openalex.org/W6801079055","https://openalex.org/W6810971026","https://openalex.org/W6840994164","https://openalex.org/W6859153722","https://openalex.org/W6859298233","https://openalex.org/W6866443539","https://openalex.org/W6873501147","https://openalex.org/W6877627694","https://openalex.org/W6911785976","https://openalex.org/W6968948892"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2935759653","https://openalex.org/W3105167352","https://openalex.org/W54078636","https://openalex.org/W2954470139","https://openalex.org/W1501425562","https://openalex.org/W2902782467","https://openalex.org/W3084825885","https://openalex.org/W2298861036","https://openalex.org/W2271181815"],"abstract_inverted_index":{"Abstract":[0],"Computational":[1],"astrochemical":[2,41],"models":[3,87,101,155],"are":[4],"essential":[5],"for":[6,40,85,182],"helping":[7],"us":[8],"interpret":[9],"and":[10,27,60,78,159],"understand":[11],"the":[12,19,29,38,49,58,65,71,75,92,105,129,161,168,172,176,179,183,191],"observations":[13,188],"of":[14,21,31,51,70,124,138,167,175,187,196],"different":[15],"astrophysical":[16,197],"environments.":[17,198],"In":[18,95],"age":[20],"high-resolution":[22],"telescopes":[23],"such":[24],"as":[25],"JWST":[26],"ALMA,":[28],"substructure":[30],"many":[32],"objects":[33,53],"can":[34,89,103,156],"be":[35],"resolved,":[36],"raising":[37],"need":[39,54],"modeling":[42],"at":[43],"these":[44,52,118,153],"smaller":[45],"scales,":[46],"meaning":[47],"that":[48,88,102,152],"simulations":[50,72,195],"to":[55,62],"include":[56],"both":[57,74],"physics":[59],"chemistry":[61,79,177],"accurately":[63],"model":[64],"observations.":[66],"The":[67],"computational":[68],"cost":[69],"coupling":[73],"three-dimensional":[76,136],"hydrodynamics":[77],"is":[80],"enormous,":[81],"creating":[82],"an":[83],"opportunity":[84],"surrogate":[86,100,119,154],"effectively":[90],"substitute":[91],"chemical":[93,107],"solver.":[94],"this":[96],"work":[97],"we":[98],"present":[99],"replace":[104],"original":[106,162],"code,":[108,147],"namely":[109],"Latent":[110],"Augmented":[111],"Neural":[112],"Ordinary":[113],"Differential":[114],"Equations.":[115],"We":[116,150],"train":[117],"architectures":[120],"on":[121],"three":[122],"datasets":[123],"increasing":[125,190],"physical":[126],"complexity,":[127],"with":[128],"last":[130],"dataset":[131],"derived":[132],"directly":[133],"from":[134],"a":[135,139,143],"simulation":[137],"molecular":[140],"cloud":[141],"using":[142],"photodissociation":[144],"region":[145],"(PDR)":[146],"3D-PDR":[148],".":[149],"show":[151],"provide":[157],"speedup":[158],"reproduce":[160],"observable":[163],"column":[164],"density":[165],"maps":[166],"dataset.":[169],"This":[170],"enables":[171],"rapid":[173],"inference":[174,186],"(on":[178],"GPU),":[180],"allowing":[181],"faster":[184],"statistical":[185],"or":[189],"resolution":[192],"in":[193],"hydrodynamical":[194]},"counts_by_year":[],"updated_date":"2026-03-27T14:29:43.386196","created_date":"2025-10-10T00:00:00"}