{"id":"https://openalex.org/W4392085308","doi":"https://doi.org/10.48550/arxiv.2402.13402","title":"Towards accelerating physical discovery via non-interactive and interactive multi-fidelity Bayesian Optimization: Current challenges and future opportunities","display_name":"Towards accelerating physical discovery via non-interactive and interactive multi-fidelity Bayesian Optimization: Current challenges and future opportunities","publication_year":2024,"publication_date":"2024-02-20","ids":{"openalex":"https://openalex.org/W4392085308","doi":"https://doi.org/10.48550/arxiv.2402.13402"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2402.13402","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2402.13402","pdf_url":"https://arxiv.org/pdf/2402.13402","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"text"},"type":"preprint","indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2402.13402","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5079354655","display_name":"Arpan Biswas","orcid":"https://orcid.org/0000-0002-4054-7700"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Biswas, Arpan","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030246546","display_name":"Sai Mani Prudhvi Valleti","orcid":"https://orcid.org/0000-0001-8022-647X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Valleti, Sai Mani Prudhvi","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001834469","display_name":"Rama K. Vasudevan","orcid":"https://orcid.org/0000-0003-4692-8579"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Vasudevan, Rama","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013879711","display_name":"Maxim Ziatdinov","orcid":"https://orcid.org/0000-0003-2570-4592"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ziatdinov, Maxim","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5048552375","display_name":"Sergei V. Kalinin","orcid":"https://orcid.org/0000-0001-5354-6152"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kalinin, Sergei V.","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5079354655"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":1,"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/T11801","display_name":"Reservoir Engineering and Simulation Methods","score":0.9297999739646912,"subfield":{"id":"https://openalex.org/subfields/2212","display_name":"Ocean Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11801","display_name":"Reservoir Engineering and Simulation Methods","score":0.9297999739646912,"subfield":{"id":"https://openalex.org/subfields/2212","display_name":"Ocean 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/bayesian-optimization","display_name":"Bayesian optimization","score":0.7364065647125244},{"id":"https://openalex.org/keywords/current","display_name":"Current (fluid)","score":0.6465269327163696},{"id":"https://openalex.org/keywords/fidelity","display_name":"Fidelity","score":0.6098219156265259},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5610914826393127},{"id":"https://openalex.org/keywords/bayesian-probability","display_name":"Bayesian probability","score":0.5594320297241211},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.5203494429588318},{"id":"https://openalex.org/keywords/high-fidelity","display_name":"High fidelity","score":0.48254722356796265},{"id":"https://openalex.org/keywords/human\u2013computer-interaction","display_name":"Human\u2013computer interaction","score":0.38988834619522095},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.2581824064254761},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2547125816345215},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.12185156345367432},{"id":"https://openalex.org/keywords/telecommunications","display_name":"Telecommunications","score":0.06301072239875793}],"concepts":[{"id":"https://openalex.org/C2778049539","wikidata":"https://www.wikidata.org/wiki/Q17002908","display_name":"Bayesian optimization","level":2,"score":0.7364065647125244},{"id":"https://openalex.org/C148043351","wikidata":"https://www.wikidata.org/wiki/Q4456944","display_name":"Current (fluid)","level":2,"score":0.6465269327163696},{"id":"https://openalex.org/C2776459999","wikidata":"https://www.wikidata.org/wiki/Q2119376","display_name":"Fidelity","level":2,"score":0.6098219156265259},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5610914826393127},{"id":"https://openalex.org/C107673813","wikidata":"https://www.wikidata.org/wiki/Q812534","display_name":"Bayesian probability","level":2,"score":0.5594320297241211},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.5203494429588318},{"id":"https://openalex.org/C113364801","wikidata":"https://www.wikidata.org/wiki/Q26674","display_name":"High fidelity","level":2,"score":0.48254722356796265},{"id":"https://openalex.org/C107457646","wikidata":"https://www.wikidata.org/wiki/Q207434","display_name":"Human\u2013computer interaction","level":1,"score":0.38988834619522095},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.2581824064254761},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2547125816345215},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.12185156345367432},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.06301072239875793},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2402.13402","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2402.13402","pdf_url":"https://arxiv.org/pdf/2402.13402","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"text"},{"id":"doi:10.48550/arxiv.2402.13402","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2402.13402","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":"article"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2402.13402","is_oa":true,"landing_page_url":"http://arxiv.org/abs/2402.13402","pdf_url":"https://arxiv.org/pdf/2402.13402","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"text"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1019100964","display_name":null,"funder_award_id":"AC0500OR22725","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G1065316766","display_name":null,"funder_award_id":"Award","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1875174544","display_name":null,"funder_award_id":"107514","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2138055425","display_name":null,"funder_award_id":"DE-SC0019288","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G3116593592","display_name":null,"funder_award_id":"DE-SC001928","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G3188815368","display_name":null,"funder_award_id":"AC0500OR22725","funder_id":"https://openalex.org/F4320338420","funder_display_name":"Energy Frontier Research Centers"},{"id":"https://openalex.org/G3309651551","display_name":null,"funder_award_id":"107514","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G3551090516","display_name":null,"funder_award_id":"107514","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G3872744442","display_name":null,"funder_award_id":"DE-AC0500OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G400111597","display_name":null,"funder_award_id":"DE-SC0019288","funder_id":"https://openalex.org/F4320338420","funder_display_name":"Energy Frontier Research Centers"},{"id":"https://openalex.org/G4727002354","display_name":null,"funder_award_id":"DE-AC0500OR22725","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G4823431144","display_name":null,"funder_award_id":"DE-AC0500OR22725","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G5286831606","display_name":null,"funder_award_id":"DE-SC0019288","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G5726405315","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G640092952","display_name":null,"funder_award_id":"DE-SC0019288","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7066633426","display_name":null,"funder_award_id":"AC0500OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7995982022","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8414908677","display_name":null,"funder_award_id":"DE-AC0","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8906985441","display_name":null,"funder_award_id":"00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G909711816","display_name":null,"funder_award_id":"DE-AC0500OR22725","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G922360246","display_name":null,"funder_award_id":"DE-AC0500OR22725","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320306250","display_name":"Battelle","ror":"https://ror.org/01h5tnr73"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"},{"id":"https://openalex.org/F4320338287","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56"},{"id":"https://openalex.org/F4320338354","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307"},{"id":"https://openalex.org/F4320338420","display_name":"Energy Frontier Research Centers","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4392085308.pdf","grobid_xml":"https://content.openalex.org/works/W4392085308.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4313443006","https://openalex.org/W4385452045","https://openalex.org/W2945374968","https://openalex.org/W4293777179","https://openalex.org/W2164070813","https://openalex.org/W2135608140","https://openalex.org/W2895525995","https://openalex.org/W2319626700","https://openalex.org/W4319589573","https://openalex.org/W2997614060"],"abstract_inverted_index":{"Both":[0],"computational":[1],"and":[2,13,34,50,100,104,130,157,171,202,211,220,229,239],"experimental":[3],"material":[4],"discovery":[5],"bring":[6],"forth":[7],"the":[8,80,113,121,136,164,203,214],"challenge":[9],"of":[10,22,29,125,216],"exploring":[11],"multidimensional":[12],"often":[14,131],"non-differentiable":[15],"parameter":[16,195],"spaces,":[17,33,201],"such":[18,74],"as":[19,75,194,199,205],"phase":[20],"diagrams":[21],"Hamiltonians":[23],"with":[24,149,235],"multiple":[25],"interactions,":[26],"composition":[27],"spaces":[28],"combinatorial":[30],"libraries,":[31],"processing":[32],"molecular":[35],"embedding":[36],"spaces.":[37],"Often":[38],"these":[39],"systems":[40],"are":[41,61,106,178],"expensive":[42],"or":[43,58],"time-consuming":[44],"to":[45,160],"evaluate":[46],"a":[47,96],"single":[48],"instance,":[49],"hence":[51],"classical":[52,91,150],"approaches":[53,177],"based":[54,84,94],"on":[55,85,95,120,144],"exhaustive":[56],"grid":[57],"random":[59],"search":[60],"too":[62],"data":[63,108,185],"intensive.":[64],"This":[65],"resulted":[66],"in":[67,123,163],"strong":[68],"interest":[69],"towards":[70],"active":[71],"learning":[72,87],"methods":[73],"Bayesian":[76],"optimization":[77,98],"(BO)":[78],"where":[79],"adaptive":[81,170],"exploration":[82,103,133],"occurs":[83],"human":[86,162,222,242],"(discovery)":[88],"objective.":[89],"However,":[90],"BO":[92,146],"is":[93],"predefined":[97],"target,":[99],"policies":[101,134],"balancing":[102],"exploitation":[105],"purely":[107],"driven.":[109],"In":[110],"practical":[111],"settings,":[112],"domain":[114,172],"expert":[115,173],"can":[116],"pose":[117],"prior":[118],"knowledge":[119,218],"system":[122],"form":[124],"partially":[126],"known":[127],"physics":[128,217,238],"laws":[129],"varies":[132],"during":[135],"experiment.":[137],"Here,":[138],"we":[139],"explore":[140],"interactive":[141,166],"workflows":[142,168],"building":[143],"multi-fidelity":[145,183],"(MFBO),":[147],"starting":[148],"(data-driven)":[151],"MFBO,":[152],"then":[153],"structured":[154],"(physics-driven)":[155],"sMFBO,":[156],"extending":[158],"it":[159],"allow":[161],"loop":[165],"iMFBO":[167],"for":[169,224,232],"aligned":[174],"exploration.":[175],"These":[176],"demonstrated":[179],"over":[180],"highly":[181],"non-smooth":[182],"simulation":[184],"generated":[186],"from":[187],"an":[188],"Ising":[189],"model,":[190],"considering":[191],"spin-spin":[192],"interaction":[193],"space,":[196],"lattice":[197],"sizes":[198],"fidelity":[200],"objective":[204],"maximizing":[206],"heat":[207],"capacity.":[208],"Detailed":[209],"analysis":[210],"comparison":[212],"show":[213],"impact":[215],"injection":[219],"on-the-fly":[221],"decisions":[223],"improved":[225],"exploration,":[226],"current":[227],"challenges,":[228],"potential":[230],"opportunities":[231],"algorithm":[233],"development":[234],"combining":[236],"data,":[237],"real":[240],"time":[241],"decisions.":[243]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2024-02-23T00:00:00"}
