{"id":"https://openalex.org/W2656426451","doi":"https://doi.org/10.3390/e19070294","title":"An Exploration Algorithm for Stochastic Simulators Driven by Energy Gradients","display_name":"An Exploration Algorithm for Stochastic Simulators Driven by Energy Gradients","publication_year":2017,"publication_date":"2017-06-22","ids":{"openalex":"https://openalex.org/W2656426451","doi":"https://doi.org/10.3390/e19070294","mag":"2656426451"},"language":"en","primary_location":{"id":"doi:10.3390/e19070294","is_oa":true,"landing_page_url":"https://doi.org/10.3390/e19070294","pdf_url":"https://www.mdpi.com/1099-4300/19/7/294/pdf?version=1498130787","source":{"id":"https://openalex.org/S195231649","display_name":"Entropy","issn_l":"1099-4300","issn":["1099-4300"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/1099-4300/19/7/294/pdf?version=1498130787","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5063401034","display_name":"Anastasia Georgiou","orcid":"https://orcid.org/0000-0001-9717-0599"},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anastasia Georgiou","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001410966","display_name":"Juan M. Bello\u2010Rivas","orcid":"https://orcid.org/0000-0002-2640-0737"},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Juan Bello-Rivas","raw_affiliation_strings":["Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049718798","display_name":"C. W. Gear","orcid":null},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Charles Gear","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049698434","display_name":"Hau\u2010Tieng Wu","orcid":"https://orcid.org/0000-0002-0253-3156"},"institutions":[{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Hau-Tieng Wu","raw_affiliation_strings":["Department of Mathematics, University of Toronto, Room 6290, 40 St. George Street, Toronto, ON M5S 2E4, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, University of Toronto, Room 6290, 40 St. George Street, Toronto, ON M5S 2E4, Canada","institution_ids":["https://openalex.org/I185261750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071497805","display_name":"Eliodoro Chiavazzo","orcid":"https://orcid.org/0000-0001-6165-7434"},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Politecnico di Torino","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Eliodoro Chiavazzo","raw_affiliation_strings":["Energy Department, Politecnico di Torino, 10129 Torino, Italy"],"raw_orcid":"https://orcid.org/0000-0001-6165-7434","affiliations":[{"raw_affiliation_string":"Energy Department, Politecnico di Torino, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036566464","display_name":"Ioannis G. Kevrekidis","orcid":"https://orcid.org/0000-0003-2220-3522"},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]},{"id":"https://openalex.org/I4210137766","display_name":"Institute for Advanced Study","ror":"https://ror.org/03xg85719","country_code":"DE","type":"facility","lineage":["https://openalex.org/I4210137766"]},{"id":"https://openalex.org/I62916508","display_name":"Technical University of Munich","ror":"https://ror.org/02kkvpp62","country_code":"DE","type":"education","lineage":["https://openalex.org/I62916508"]}],"countries":["DE","US"],"is_corresponding":true,"raw_author_name":"Ioannis Kevrekidis","raw_affiliation_strings":["Department of Chemical and Biological Engineering and Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA","TUM Institute for Advanced Study, Technische Universit\u00e4t M\u00fcnchen, 85748 Garching, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering and Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA","institution_ids":["https://openalex.org/I20089843"]},{"raw_affiliation_string":"TUM Institute for Advanced Study, Technische Universit\u00e4t M\u00fcnchen, 85748 Garching, Germany","institution_ids":["https://openalex.org/I4210137766","https://openalex.org/I62916508"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5036566464"],"corresponding_institution_ids":["https://openalex.org/I20089843","https://openalex.org/I4210137766","https://openalex.org/I62916508"],"apc_list":{"value":2000,"currency":"CHF","value_usd":2227},"apc_paid":{"value":2000,"currency":"CHF","value_usd":2227},"fwci":0.4056,"has_fulltext":true,"cited_by_count":11,"citation_normalized_percentile":{"value":0.59545507,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"19","issue":"7","first_page":"294","last_page":"294"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9939000010490417,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9939000010490417,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12056","display_name":"Markov Chains and Monte Carlo Methods","score":0.9930999875068665,"subfield":{"id":"https://openalex.org/subfields/2613","display_name":"Statistics and Probability"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11206","display_name":"Model Reduction and Neural Networks","score":0.9878000020980835,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/metric","display_name":"Metric (unit)","score":0.6127845048904419},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5860037803649902},{"id":"https://openalex.org/keywords/sampling","display_name":"Sampling (signal processing)","score":0.5161667466163635},{"id":"https://openalex.org/keywords/energy-landscape","display_name":"Energy landscape","score":0.5032028555870056},{"id":"https://openalex.org/keywords/mahalanobis-distance","display_name":"Mahalanobis distance","score":0.4964664578437805},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.49510422348976135},{"id":"https://openalex.org/keywords/degrees-of-freedom","display_name":"Degrees of freedom (physics and chemistry)","score":0.48521116375923157},{"id":"https://openalex.org/keywords/dimension","display_name":"Dimension (graph theory)","score":0.4771794080734253},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.45569294691085815},{"id":"https://openalex.org/keywords/phase-space","display_name":"Phase space","score":0.4467329978942871},{"id":"https://openalex.org/keywords/manifold","display_name":"Manifold (fluid mechanics)","score":0.44252216815948486},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.4370790719985962},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.42021802067756653},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.37715819478034973},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3524143695831299},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.29415637254714966},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.21335765719413757},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.17145490646362305},{"id":"https://openalex.org/keywords/computer-vision","display_name":"Computer vision","score":0.09927046298980713},{"id":"https://openalex.org/keywords/filter","display_name":"Filter (signal processing)","score":0.09230318665504456}],"concepts":[{"id":"https://openalex.org/C176217482","wikidata":"https://www.wikidata.org/wiki/Q860554","display_name":"Metric (unit)","level":2,"score":0.6127845048904419},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5860037803649902},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.5161667466163635},{"id":"https://openalex.org/C119621388","wikidata":"https://www.wikidata.org/wiki/Q5377166","display_name":"Energy landscape","level":2,"score":0.5032028555870056},{"id":"https://openalex.org/C1921717","wikidata":"https://www.wikidata.org/wiki/Q1334846","display_name":"Mahalanobis distance","level":2,"score":0.4964664578437805},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.49510422348976135},{"id":"https://openalex.org/C208081375","wikidata":"https://www.wikidata.org/wiki/Q274502","display_name":"Degrees of freedom (physics and chemistry)","level":2,"score":0.48521116375923157},{"id":"https://openalex.org/C33676613","wikidata":"https://www.wikidata.org/wiki/Q13415176","display_name":"Dimension (graph theory)","level":2,"score":0.4771794080734253},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.45569294691085815},{"id":"https://openalex.org/C151342819","wikidata":"https://www.wikidata.org/wiki/Q62542","display_name":"Phase space","level":2,"score":0.4467329978942871},{"id":"https://openalex.org/C529865628","wikidata":"https://www.wikidata.org/wiki/Q1790740","display_name":"Manifold (fluid mechanics)","level":2,"score":0.44252216815948486},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.4370790719985962},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.42021802067756653},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.37715819478034973},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3524143695831299},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.29415637254714966},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.21335765719413757},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.17145490646362305},{"id":"https://openalex.org/C31972630","wikidata":"https://www.wikidata.org/wiki/Q844240","display_name":"Computer vision","level":1,"score":0.09927046298980713},{"id":"https://openalex.org/C106131492","wikidata":"https://www.wikidata.org/wiki/Q3072260","display_name":"Filter (signal processing)","level":2,"score":0.09230318665504456},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C21547014","wikidata":"https://www.wikidata.org/wiki/Q1423657","display_name":"Operations management","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.3390/e19070294","is_oa":true,"landing_page_url":"https://doi.org/10.3390/e19070294","pdf_url":"https://www.mdpi.com/1099-4300/19/7/294/pdf?version=1498130787","source":{"id":"https://openalex.org/S195231649","display_name":"Entropy","issn_l":"1099-4300","issn":["1099-4300"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy","raw_type":"journal-article"},{"id":"pmh:oai:utoronto.scholaris.ca:1807/94215","is_oa":true,"landing_page_url":"http://hdl.handle.net/1807/94215","pdf_url":"https://utoronto.scholaris.ca/bitstreams/889d01d2-9a73-4396-b2cc-db4c0fa5414b/download","source":{"id":"https://openalex.org/S4306400261","display_name":"TSpace (University of Toronto)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I185261750","host_organization_name":"University of Toronto","host_organization_lineage":["https://openalex.org/I185261750"],"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":null,"raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:fb0cdd4d491743ba852f70b53ee1915f","is_oa":true,"landing_page_url":"https://doaj.org/article/fb0cdd4d491743ba852f70b53ee1915f","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Entropy, Vol 19, Iss 7, p 294 (2017)","raw_type":"article"},{"id":"pmh:oai:mdpi.com:/1099-4300/19/7/294/","is_oa":true,"landing_page_url":"https://dx.doi.org/10.3390/e19070294","pdf_url":null,"source":{"id":"https://openalex.org/S4306400947","display_name":"MDPI (MDPI AG)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210097602","host_organization_name":"Multidisciplinary Digital Publishing Institute (Switzerland)","host_organization_lineage":["https://openalex.org/I4210097602"],"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":"Entropy; Volume 19; Issue 7; Pages: 294","raw_type":"Text"},{"id":"pmh:oai:mediatum.ub.tum.de:node/1439762","is_oa":true,"landing_page_url":"http://mediatum.ub.tum.de/node?id=1439762","pdf_url":null,"source":{"id":"https://openalex.org/S4306400453","display_name":"mediaTUM \u2013 the media and publications repository of the Technical University Munich (Technical University Munich)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I62916508","host_organization_name":"Technical University of Munich","host_organization_lineage":["https://openalex.org/I62916508"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"article"},{"id":"pmh:oai:porto.polito.it:2677059","is_oa":true,"landing_page_url":"http://porto.polito.it/2677059/","pdf_url":null,"source":{"id":"https://openalex.org/S4306402038","display_name":"PORTO Publications Open Repository TOrino (Politecnico di Torino)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I177477856","host_organization_name":"Politecnico di Torino","host_organization_lineage":["https://openalex.org/I177477856"],"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":"ISSN:1099-4300","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.3390/e19070294","is_oa":true,"landing_page_url":"https://doi.org/10.3390/e19070294","pdf_url":"https://www.mdpi.com/1099-4300/19/7/294/pdf?version=1498130787","source":{"id":"https://openalex.org/S195231649","display_name":"Entropy","issn_l":"1099-4300","issn":["1099-4300"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.8899999856948853}],"awards":[{"id":"https://openalex.org/G625802123","display_name":null,"funder_award_id":"HR0011-16-C-0016","funder_id":"https://openalex.org/F4320332180","funder_display_name":"Defense Advanced Research Projects Agency"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332180","display_name":"Defense Advanced Research Projects Agency","ror":"https://ror.org/02caytj08"},{"id":"https://openalex.org/F4320332467","display_name":"U.S. Air Force","ror":"https://ror.org/006gmme17"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":92,"referenced_works":["https://openalex.org/W158746982","https://openalex.org/W1572963380","https://openalex.org/W1574059304","https://openalex.org/W1587029759","https://openalex.org/W1809666471","https://openalex.org/W1970440715","https://openalex.org/W1972265435","https://openalex.org/W1976499671","https://openalex.org/W1978189250","https://openalex.org/W1979018519","https://openalex.org/W1979348555","https://openalex.org/W1980055293","https://openalex.org/W1983628095","https://openalex.org/W1984032850","https://openalex.org/W1986614779","https://openalex.org/W1987236926","https://openalex.org/W1987945509","https://openalex.org/W1989753444","https://openalex.org/W1989992848","https://openalex.org/W1992899488","https://openalex.org/W2001398410","https://openalex.org/W2006554089","https://openalex.org/W2012663156","https://openalex.org/W2027109368","https://openalex.org/W2029778093","https://openalex.org/W2035687084","https://openalex.org/W2036108598","https://openalex.org/W2040809566","https://openalex.org/W2042821667","https://openalex.org/W2049738344","https://openalex.org/W2058214407","https://openalex.org/W2058971275","https://openalex.org/W2060361607","https://openalex.org/W2064556178","https://openalex.org/W2066951434","https://openalex.org/W2067076385","https://openalex.org/W2072290134","https://openalex.org/W2076791197","https://openalex.org/W2078290150","https://openalex.org/W2081760211","https://openalex.org/W2086193487","https://openalex.org/W2086513155","https://openalex.org/W2088544928","https://openalex.org/W2089435371","https://openalex.org/W2090857812","https://openalex.org/W2094911502","https://openalex.org/W2098920923","https://openalex.org/W2099490136","https://openalex.org/W2102121821","https://openalex.org/W2113913163","https://openalex.org/W2117684310","https://openalex.org/W2131866773","https://openalex.org/W2141796022","https://openalex.org/W2146411229","https://openalex.org/W2151631165","https://openalex.org/W2157019488","https://openalex.org/W2161605421","https://openalex.org/W2162041888","https://openalex.org/W2163845030","https://openalex.org/W2167468911","https://openalex.org/W2169390877","https://openalex.org/W2171755502","https://openalex.org/W2257064365","https://openalex.org/W2334386896","https://openalex.org/W2341303730","https://openalex.org/W2418342352","https://openalex.org/W2501078658","https://openalex.org/W2521322026","https://openalex.org/W2530254746","https://openalex.org/W2546790250","https://openalex.org/W2560511802","https://openalex.org/W2562015010","https://openalex.org/W2571642833","https://openalex.org/W2792143480","https://openalex.org/W2951145731","https://openalex.org/W2962824627","https://openalex.org/W2962936676","https://openalex.org/W2963838606","https://openalex.org/W3101060993","https://openalex.org/W3104305066","https://openalex.org/W3122702518","https://openalex.org/W3204708751","https://openalex.org/W4206033904","https://openalex.org/W4213311833","https://openalex.org/W4235722944","https://openalex.org/W4251218076","https://openalex.org/W4292198165","https://openalex.org/W4320800818","https://openalex.org/W4388167314","https://openalex.org/W6600458561","https://openalex.org/W6674432894","https://openalex.org/W6785533514"],"related_works":["https://openalex.org/W4382795578","https://openalex.org/W2355463328","https://openalex.org/W2402648945","https://openalex.org/W1431147547","https://openalex.org/W2771741613","https://openalex.org/W2055761197","https://openalex.org/W2997940256","https://openalex.org/W1964234337","https://openalex.org/W2092762355","https://openalex.org/W2094880228"],"abstract_inverted_index":{"In":[0,79],"recent":[1],"work,":[2],"we":[3,82,123,153],"have":[4],"illustrated":[5],"the":[6,16,27,31,58,62,66,75,88,111,114,125,129,148,155,159,182,191],"construction":[7],"of":[8,20,30,61,91,106,108,113,128,167],"an":[9,21,36],"exploration":[10,37],"geometry":[11,38,60,127],"on":[12,25,102,136,199],"free":[13,98,130],"energy":[14,99,131],"surfaces:":[15],"adaptive":[17],"computer-assisted":[18],"discovery":[19],"approximate":[22],"low-dimensional":[23],"manifold":[24],"which":[26],"effective":[28,97],"dynamics":[29,47],"system":[32,95],"evolves.":[33],"Constructing":[34],"such":[35],"involves":[39],"geometry-biased":[40],"sampling":[41,67],"(through":[42],"both":[43],"appropriately-initialized":[44],"unbiased":[45,193],"molecular":[46],"and":[48],"through":[49,74,139],"restraining":[50],"potentials)":[51],"and,":[52],"machine":[53],"learning":[54],"techniques":[55],"to":[56,145,162,180],"organize":[57],"intrinsic":[59],"data":[63],"resulting":[64],"from":[65],"(in":[68],"particular,":[69],"diffusion":[70,134],"maps,":[71],"possibly":[72],"enhanced":[73],"appropriate":[76],"Mahalanobis-type":[77],"metric).":[78],"this":[80,197],"contribution,":[81],"detail":[83],"a":[84,92,103,164,200],"method":[85,198],"for":[86,170],"exploring":[87],"conformational":[89,184],"space":[90,185],"stochastic":[93,140],"gradient":[94],"whose":[96],"surface":[100],"depends":[101],"smaller":[104],"number":[105],"degrees":[107],"freedom":[109],"than":[110,188],"dimension":[112],"phase":[115],"space.":[116],"Our":[117],"approach":[118],"comprises":[119],"two":[120],"steps.":[121],"First,":[122],"study":[124],"local":[126],"landscape":[132],"using":[133],"maps":[135],"samples":[137],"computed":[138,177],"dynamics.":[141],"This":[142],"allows":[143],"us":[144],"automatically":[146],"identify":[147],"relevant":[149],"coarse":[150],"variables.":[151],"Next,":[152],"use":[154],"information":[156],"garnered":[157],"in":[158],"previous":[160],"step":[161],"construct":[163],"new":[165],"set":[166],"initial":[168,174],"conditions":[169,175],"subsequent":[171],"trajectories.":[172],"These":[173],"are":[176],"so":[178],"as":[179],"explore":[181],"accessible":[183],"more":[186],"efficiently":[187],"by":[189],"continuing":[190],"previous,":[192],"simulations.":[194],"We":[195],"showcase":[196],"representative":[201],"test":[202],"system.":[203]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1}],"updated_date":"2026-08-01T09:00:35.917206","created_date":"2017-06-30T00:00:00"}