{"id":"https://openalex.org/W4391952949","doi":"https://doi.org/10.1145/3627535.3638505","title":"Training one DeePMD Model in Minutes: a Step towards Online Learning","display_name":"Training one DeePMD Model in Minutes: a Step towards Online Learning","publication_year":2024,"publication_date":"2024-02-20","ids":{"openalex":"https://openalex.org/W4391952949","doi":"https://doi.org/10.1145/3627535.3638505"},"language":"en","primary_location":{"id":"doi:10.1145/3627535.3638505","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3627535.3638505","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3627535.3638505","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 29th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://dl.acm.org/doi/pdf/10.1145/3627535.3638505","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5065371058","display_name":"Siyu Hu","orcid":"https://orcid.org/0009-0008-6085-4645"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Siyu Hu","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0009-0008-6085-4645","affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007915266","display_name":"Tong Zhao","orcid":"https://orcid.org/0000-0002-2511-0172"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tong Zhao","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0000-0002-2511-0172","affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026990707","display_name":"Qiuchen Sha","orcid":"https://orcid.org/0009-0001-0990-9515"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qiuchen Sha","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0009-0001-0990-9515","affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Enji Li","orcid":"https://orcid.org/0009-0005-7643-3392"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Enji Li","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0009-0005-7643-3392","affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061578352","display_name":"Xiangyu Meng","orcid":"https://orcid.org/0000-0001-5696-3090"},"institutions":[{"id":"https://openalex.org/I4210128818","display_name":"Institute of Software","ror":"https://ror.org/033dfsn42","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210128818"]},{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiangyu Meng","raw_affiliation_strings":["College of Computer Science and Technology, Qingdao Institute of Software, China University of Petroleum, Qingdao, Shandong, China"],"raw_orcid":"https://orcid.org/0000-0001-5696-3090","affiliations":[{"raw_affiliation_string":"College of Computer Science and Technology, Qingdao Institute of Software, China University of Petroleum, Qingdao, Shandong, China","institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4210128818"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038638757","display_name":"Liping Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210149211","display_name":"Institute of Semiconductors","ror":"https://ror.org/048dd0611","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210149211"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Liping Liu","raw_affiliation_strings":["Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0000-0001-7306-4118","affiliations":[{"raw_affiliation_string":"Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210149211","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210149211","https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091144208","display_name":"Lin\u2010Wang Wang","orcid":"https://orcid.org/0000-0001-7061-2692"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210149211","display_name":"Institute of Semiconductors","ror":"https://ror.org/048dd0611","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210149211"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lin-Wang Wang","raw_affiliation_strings":["Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0000-0001-7061-2692","affiliations":[{"raw_affiliation_string":"Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210149211","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210149211","https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006750799","display_name":"Guangming Tan","orcid":"https://orcid.org/0000-0002-6361-5948"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guangming Tan","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0000-0002-6361-5948","affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I4210165038"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101648065","display_name":"Weile Jia","orcid":"https://orcid.org/0000-0001-8539-8326"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Weile Jia","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","University of Chinese Academy of Sciences, Beijing, China","State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China"],"raw_orcid":"https://orcid.org/0000-0001-8539-8326","affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I4210165038"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.3193,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.49799244,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"257","last_page":"269"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"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/T12808","display_name":"Ferroelectric and Negative Capacitance Devices","score":0.9934999942779541,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic 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/T12676","display_name":"Machine Learning and ELM","score":0.9914000034332275,"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/computer-science","display_name":"Computer science","score":0.8218793869018555},{"id":"https://openalex.org/keywords/speedup","display_name":"Speedup","score":0.7709442377090454},{"id":"https://openalex.org/keywords/memory-footprint","display_name":"Memory footprint","score":0.7427949905395508},{"id":"https://openalex.org/keywords/heuristic","display_name":"Heuristic","score":0.4799066483974457},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.4795070290565491},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.458639919757843},{"id":"https://openalex.org/keywords/reduction","display_name":"Reduction (mathematics)","score":0.43365049362182617},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3213065266609192},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.15071028470993042}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8218793869018555},{"id":"https://openalex.org/C68339613","wikidata":"https://www.wikidata.org/wiki/Q1549489","display_name":"Speedup","level":2,"score":0.7709442377090454},{"id":"https://openalex.org/C74912251","wikidata":"https://www.wikidata.org/wiki/Q6815727","display_name":"Memory footprint","level":2,"score":0.7427949905395508},{"id":"https://openalex.org/C173801870","wikidata":"https://www.wikidata.org/wiki/Q201413","display_name":"Heuristic","level":2,"score":0.4799066483974457},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.4795070290565491},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.458639919757843},{"id":"https://openalex.org/C111335779","wikidata":"https://www.wikidata.org/wiki/Q3454686","display_name":"Reduction (mathematics)","level":2,"score":0.43365049362182617},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3213065266609192},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.15071028470993042},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"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/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3627535.3638505","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3627535.3638505","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3627535.3638505","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 29th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3627535.3638505","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3627535.3638505","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3627535.3638505","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 29th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1575492544","display_name":null,"funder_award_id":"T2125013","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2712050775","display_name":null,"funder_award_id":"92270206","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4193036417","display_name":null,"funder_award_id":"CASWX2021SF-0103","funder_id":"https://openalex.org/F4320321133","funder_display_name":"Chinese Academy of Sciences"},{"id":"https://openalex.org/G4758509637","display_name":null,"funder_award_id":"2021YFB0300600","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G5805797491","display_name":null,"funder_award_id":"T2293702","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5832729736","display_name":null,"funder_award_id":"62032023","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6721297356","display_name":"\u9762\u5411E\u7ea7\u8ba1\u7b97\u7684\u9ad8\u6027\u80fd\u7b97\u6cd5\u4f18\u5316\u6280\u672f\u7814\u7a76","funder_award_id":"61972377","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8218546177","display_name":null,"funder_award_id":"YSBR-005","funder_id":"https://openalex.org/F4320321133","funder_display_name":"Chinese Academy of Sciences"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321133","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35"},{"id":"https://openalex.org/F4320332382","display_name":"Oak Ridge Institute for Science and Education","ror":"https://ror.org/0526p1y61"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4391952949.pdf","grobid_xml":"https://content.openalex.org/works/W4391952949.grobid-xml"},"referenced_works_count":31,"referenced_works":["https://openalex.org/W26088913","https://openalex.org/W1984087004","https://openalex.org/W2020390700","https://openalex.org/W2025444507","https://openalex.org/W2040182267","https://openalex.org/W2068267411","https://openalex.org/W2098754650","https://openalex.org/W2194775991","https://openalex.org/W2620906374","https://openalex.org/W2746244909","https://openalex.org/W2775708988","https://openalex.org/W2910857709","https://openalex.org/W2944649260","https://openalex.org/W2981958391","https://openalex.org/W3004659153","https://openalex.org/W3031420959","https://openalex.org/W3037045207","https://openalex.org/W3094858942","https://openalex.org/W3126533621","https://openalex.org/W3128877721","https://openalex.org/W3132277775","https://openalex.org/W3159653252","https://openalex.org/W3176386153","https://openalex.org/W3196654458","https://openalex.org/W3201101048","https://openalex.org/W4213390660","https://openalex.org/W4220914069","https://openalex.org/W4225405705","https://openalex.org/W4288090319","https://openalex.org/W4288931748","https://openalex.org/W4382467281"],"related_works":["https://openalex.org/W2058965144","https://openalex.org/W2164382479","https://openalex.org/W4221139464","https://openalex.org/W4289827464","https://openalex.org/W2355299259","https://openalex.org/W2069304052","https://openalex.org/W2382846283","https://openalex.org/W2379400063","https://openalex.org/W1982458038","https://openalex.org/W2043492303"],"abstract_inverted_index":{"Neural":[0],"Network":[1],"Molecular":[2,142],"Dynamics":[3,143],"(NNMD)":[4],"has":[5,31,240],"become":[6],"a":[7,32,133,135,157],"major":[8],"approach":[9],"in":[10,197],"material":[11,40],"simulations,":[12],"which":[13,64],"can":[14,148],"speedup":[15,243],"the":[16,37,49,54,66,69,74,94,101,104,116,122,128,139,206,213,217,248,258],"molecular":[17],"dynamics":[18],"(MD)":[19],"simulation":[20],"for":[21],"thousands":[22],"of":[23,39,48,57,68,77,82,103,171,189,191,205,216,244,262],"times,":[24],"while":[25],"maintaining":[26],"ab":[27,58],"initio":[28,59],"accuracy,":[29],"thus":[30],"potential":[33],"to":[34,100,111,177,211,247,268],"fundamentally":[35],"change":[36],"paradigm":[38],"simulations.":[41],"However,":[42],"there":[43],"are":[44,195,209,221],"two":[45],"time-consuming":[46],"bottlenecks":[47],"NNMD":[50,78,83],"developments.":[51],"One":[52],"is":[53,65,72,85,98,106,175],"data":[55],"access":[56],"calculation":[60],"results.":[61],"The":[62,80,183],"other,":[63],"focus":[67],"current":[70],"work,":[71,154],"reducing":[73,257],"training":[75,81,92,137,260],"time":[76,261],"model.":[79],"model":[84,265],"different":[86,225,228],"from":[87,266],"most":[88],"other":[89],"neural":[90],"network":[91],"because":[93],"atomic":[95],"force":[96],"(which":[97],"related":[99],"gradient":[102,119,172],"network)":[105],"an":[107,146,241],"important":[108],"physical":[109],"property":[110],"be":[112],"fit.":[113],"Tests":[114],"show":[115,235],"traditional":[117],"stochastic":[118],"methods,":[120],"like":[121],"Adam":[123],"algorithms,":[124],"cannot":[125],"efficiently":[126],"deploy":[127],"multisample":[129],"minibatch":[130,159],"algorithm.":[131],"As":[132],"result,":[134],"typical":[136],"(taking":[138],"Deep":[140],"Potential":[141],"(DeePMD)":[144],"as":[145,202],"example)":[147],"take":[149],"many":[150],"hours.":[151],"In":[152],"this":[153,192],"we":[155],"designed":[156],"heuristic":[158],"quasi-Newtonian":[160],"optimizer":[161],"based":[162],"on":[163,223],"Extended":[164,251],"Kalman":[165,252],"Filter":[166,253],"method.":[167],"An":[168],"early":[169],"reduction":[170],"and":[173,181,187,232],"error":[174],"adopted":[176],"reduce":[178],"memory":[179,184],"footprint":[180],"communication.":[182],"footprint,":[185],"communication":[186],"settings":[188],"hyper-parameters":[190],"new":[193,238],"method":[194,239],"analyzed":[196],"detail.":[198],"Computational":[199],"innovations":[200],"such":[201],"customized":[203],"kernels":[204],"symmetry-preserving":[207],"descriptor":[208],"applied":[210],"exploit":[212],"computing":[214],"power":[215],"heterogeneous":[218],"architecture.":[219],"Experiments":[220],"performed":[222],"8":[224],"datasets":[226],"representing":[227],"real":[229],"case":[230],"situations,":[231],"numerical":[233],"results":[234],"that":[236],"our":[237],"average":[242],"32.2":[245],"compared":[246],"Reorganized":[249],"Layer-wised":[250],"with":[254],"1":[255],"GPU,":[256],"absolute":[259],"one":[263,273],"DeePMD":[264],"hours":[267],"several":[269],"minutes,":[270],"making":[271],"it":[272],"step":[274],"toward":[275],"online":[276],"training.":[277]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
