{"id":"https://openalex.org/W4416004486","doi":"https://doi.org/10.1145/3731599.3767343","title":"Inverse Design for Generating Initial Conditions in Scientific Simulations","display_name":"Inverse Design for Generating Initial Conditions in Scientific Simulations","publication_year":2025,"publication_date":"2025-11-07","ids":{"openalex":"https://openalex.org/W4416004486","doi":"https://doi.org/10.1145/3731599.3767343"},"language":null,"primary_location":{"id":"doi:10.1145/3731599.3767343","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3731599.3767343","pdf_url":null,"source":null,"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1145/3731599.3767343","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5116498862","display_name":"Leslie A. Horace","orcid":"https://orcid.org/0000-0001-9176-6447"},"institutions":[{"id":"https://openalex.org/I130701444","display_name":"Georgia Institute of Technology","ror":"https://ror.org/01zkghx44","country_code":"US","type":"education","lineage":["https://openalex.org/I130701444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Leslie Horace","raw_affiliation_strings":["College of Computing, Georgia Institute of Technology, Atlanta, GA, USA"],"raw_orcid":"https://orcid.org/0000-0001-9176-6447","affiliations":[{"raw_affiliation_string":"College of Computing, Georgia Institute of Technology, Atlanta, GA, USA","institution_ids":["https://openalex.org/I130701444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5119879202","display_name":"Christin Whitton","orcid":"https://orcid.org/0009-0000-6862-9196"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christin Whitton","raw_affiliation_strings":["High Performance Computing Design, Los Alamos National Laboratory, Los Alamos, NM, USA"],"raw_orcid":"https://orcid.org/0009-0000-6862-9196","affiliations":[{"raw_affiliation_string":"High Performance Computing Design, Los Alamos National Laboratory, Los Alamos, NM, USA","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048163948","display_name":"Vanessa Job","orcid":"https://orcid.org/0000-0002-3240-5999"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Vanessa Job","raw_affiliation_strings":["High Performance Computing Design, Los Alamos National Laboratory, Los Alamos, NM, USA"],"raw_orcid":"https://orcid.org/0000-0002-3240-5999","affiliations":[{"raw_affiliation_string":"High Performance Computing Design, Los Alamos National Laboratory, Los Alamos, NM, USA","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062187807","display_name":"William M. Jones","orcid":"https://orcid.org/0000-0002-3796-6330"},"institutions":[{"id":"https://openalex.org/I208081647","display_name":"Coastal Carolina University","ror":"https://ror.org/01621q256","country_code":"US","type":"education","lineage":["https://openalex.org/I208081647"]},{"id":"https://openalex.org/I4210152127","display_name":"Conway School of Landscape Design","ror":"https://ror.org/04q7y8a54","country_code":"US","type":"education","lineage":["https://openalex.org/I4210152127"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"William Jones","raw_affiliation_strings":["Department of Computing Sciences, Coastal Carolina University, Conway, SC, USA"],"raw_orcid":"https://orcid.org/0000-0002-3796-6330","affiliations":[{"raw_affiliation_string":"Department of Computing Sciences, Coastal Carolina University, Conway, SC, USA","institution_ids":["https://openalex.org/I208081647","https://openalex.org/I4210152127"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056569157","display_name":"Nathan DeBardeleben","orcid":"https://orcid.org/0000-0002-5593-9205"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nathan DeBardeleben","raw_affiliation_strings":["High Performance Computing Design, Los Alamos National Laboratory, Los Alamos, NM, USA"],"raw_orcid":"https://orcid.org/0000-0002-5593-9205","affiliations":[{"raw_affiliation_string":"High Performance Computing Design, Los Alamos National Laboratory, Los Alamos, NM, USA","institution_ids":["https://openalex.org/I1343871089"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.22976484,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"29","last_page":"36"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11206","display_name":"Model Reduction and Neural Networks","score":0.7702999711036682,"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":0.7702999711036682,"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":0.1720999926328659,"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/T10775","display_name":"Generative Adversarial Networks and Image Synthesis","score":0.008100000210106373,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/inverse","display_name":"Inverse","score":0.57669997215271},{"id":"https://openalex.org/keywords/inverse-problem","display_name":"Inverse problem","score":0.5609999895095825},{"id":"https://openalex.org/keywords/flow","display_name":"Flow (mathematics)","score":0.4348999857902527},{"id":"https://openalex.org/keywords/heat-flow","display_name":"Heat flow","score":0.42669999599456787},{"id":"https://openalex.org/keywords/uncertainty-quantification","display_name":"Uncertainty quantification","score":0.40880000591278076},{"id":"https://openalex.org/keywords/partial-differential-equation","display_name":"Partial differential equation","score":0.37940001487731934},{"id":"https://openalex.org/keywords/state","display_name":"State (computer science)","score":0.3206000030040741}],"concepts":[{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.57669997215271},{"id":"https://openalex.org/C135252773","wikidata":"https://www.wikidata.org/wiki/Q1567213","display_name":"Inverse problem","level":2,"score":0.5609999895095825},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.5479999780654907},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4794999957084656},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.4544000029563904},{"id":"https://openalex.org/C38349280","wikidata":"https://www.wikidata.org/wiki/Q1434290","display_name":"Flow (mathematics)","level":2,"score":0.4348999857902527},{"id":"https://openalex.org/C2985596519","wikidata":"https://www.wikidata.org/wiki/Q179635","display_name":"Heat flow","level":3,"score":0.42669999599456787},{"id":"https://openalex.org/C32230216","wikidata":"https://www.wikidata.org/wiki/Q7882499","display_name":"Uncertainty quantification","level":2,"score":0.40880000591278076},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.38960000872612},{"id":"https://openalex.org/C93779851","wikidata":"https://www.wikidata.org/wiki/Q271977","display_name":"Partial differential equation","level":2,"score":0.37940001487731934},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3246999979019165},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.32350000739097595},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.3206000030040741},{"id":"https://openalex.org/C76969082","wikidata":"https://www.wikidata.org/wiki/Q486902","display_name":"Mathematical model","level":2,"score":0.31529998779296875},{"id":"https://openalex.org/C146357865","wikidata":"https://www.wikidata.org/wiki/Q1123245","display_name":"Stage (stratigraphy)","level":2,"score":0.30489999055862427},{"id":"https://openalex.org/C78045399","wikidata":"https://www.wikidata.org/wiki/Q11214","display_name":"Differential equation","level":2,"score":0.2939999997615814},{"id":"https://openalex.org/C93226319","wikidata":"https://www.wikidata.org/wiki/Q193137","display_name":"Differential (mechanical device)","level":2,"score":0.2906000018119812},{"id":"https://openalex.org/C2983319462","wikidata":"https://www.wikidata.org/wiki/Q15948129","display_name":"Inverse method","level":2,"score":0.28760001063346863},{"id":"https://openalex.org/C148043351","wikidata":"https://www.wikidata.org/wiki/Q4456944","display_name":"Current (fluid)","level":2,"score":0.2791999876499176},{"id":"https://openalex.org/C131675550","wikidata":"https://www.wikidata.org/wiki/Q7646884","display_name":"Surrogate model","level":2,"score":0.2590999901294708},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.25429999828338623}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3731599.3767343","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3731599.3767343","pdf_url":null,"source":null,"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3731599.3767343","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3731599.3767343","pdf_url":null,"source":null,"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":13,"referenced_works":["https://openalex.org/W2128201718","https://openalex.org/W2167657634","https://openalex.org/W2192203593","https://openalex.org/W2949676527","https://openalex.org/W2952020389","https://openalex.org/W2963544905","https://openalex.org/W3046462119","https://openalex.org/W3125097811","https://openalex.org/W4244063180","https://openalex.org/W4295312788","https://openalex.org/W4311331221","https://openalex.org/W4391983773","https://openalex.org/W4393096498"],"related_works":[],"abstract_inverted_index":{"We":[0,30],"propose":[1],"a":[2,65],"conditional":[3],"normalizing":[4],"flow":[5],"(CNF)":[6],"surrogate":[7],"model":[8,73],"to":[9],"solve":[10],"generative,":[11],"many-to-one":[12],"inverse":[13],"problems":[14],"in":[15],"scientific":[16],"simulations":[17,44],"governed":[18],"by":[19],"partial":[20],"differential":[21],"equations":[22],"(PDEs)":[23],"with":[24],"time-evolving":[25],"interactions":[26],"between":[27],"heterogeneous":[28],"materials.":[29],"present":[31],"two":[32],"case":[33],"studies:":[34],"electrostatic":[35],"potential":[36],"and":[37,85],"heat":[38],"diffusion,":[39],"which":[40],"serve":[41],"as":[42],"proxy":[43],"for":[45,88],"generating":[46],"diverse":[47],"sets":[48],"of":[49,68,77,82],"initial":[50],"conditions":[51],"that":[52],"can":[53],"reproduce":[54],"an":[55],"observed":[56],"output":[57],"state":[58],"(transient":[59],"or":[60],"steady).":[61],"Finally,":[62],"we":[63],"provide":[64],"comprehensive":[66],"overview":[67],"the":[69,72,78,89],"synthetic":[70],"datasets,":[71],"specification,":[74],"each":[75],"stage":[76],"experimental":[79],"workflow,":[80],"evaluation":[81],"training":[83],"performance,":[84],"uncertainty":[86],"quantification":[87],"generated":[90],"samples.":[91]},"counts_by_year":[],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-11-07T00:00:00"}