{"id":"https://openalex.org/W4407624084","doi":"https://doi.org/10.1007/s42514-024-00209-8","title":"An interpretable DeePMD-kit performance model for emerging supercomputers","display_name":"An interpretable DeePMD-kit performance model for emerging supercomputers","publication_year":2025,"publication_date":"2025-02-17","ids":{"openalex":"https://openalex.org/W4407624084","doi":"https://doi.org/10.1007/s42514-024-00209-8"},"language":"en","primary_location":{"id":"doi:10.1007/s42514-024-00209-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s42514-024-00209-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s42514-024-00209-8.pdf","source":{"id":"https://openalex.org/S4210190911","display_name":"CCF Transactions on High Performance Computing","issn_l":"2524-4922","issn":["2524-4922","2524-4930"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"CCF Transactions on High Performance Computing","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s42514-024-00209-8.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5061578352","display_name":"Xiangyu Meng","orcid":"https://orcid.org/0000-0001-5696-3090"},"institutions":[{"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":true,"raw_author_name":"Xiangyu Meng","raw_affiliation_strings":["Department of Computer Science and Technology, China University of Petroleum, Qingdao, China"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Technology, China University of Petroleum, Qingdao, China","institution_ids":["https://openalex.org/I4210162190"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Xun Wang","orcid":null},"institutions":[{"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/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":"Xun Wang","raw_affiliation_strings":["Department of Computer Science and Technology, China University of Petroleum, Qingdao, China","State Key Lab of Processors, Institute of Computing Technology, Beijing, China"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Technology, China University of Petroleum, Qingdao, China","institution_ids":["https://openalex.org/I4210162190"]},{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Beijing, China","institution_ids":["https://openalex.org/I4210090176"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101717277","display_name":"Mingzhen Li","orcid":"https://orcid.org/0000-0002-0964-8802"},"institutions":[{"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":"Mingzhen Li","raw_affiliation_strings":["State Key Lab of Processors, Institute of Computing Technology, Beijing, China","University of Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Beijing, China","institution_ids":["https://openalex.org/I4210090176"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["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/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, Beijing, China","University of Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Beijing, China","institution_ids":["https://openalex.org/I4210090176"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["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/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, Beijing, China","University of Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"State Key Lab of Processors, Institute of Computing Technology, Beijing, China","institution_ids":["https://openalex.org/I4210090176"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210165038"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5061578352"],"corresponding_institution_ids":["https://openalex.org/I4210162190"],"apc_list":{"value":2190,"currency":"EUR","value_usd":2790},"apc_paid":{"value":2190,"currency":"EUR","value_usd":2790},"fwci":1.3695,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.78887855,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"7","issue":"2","first_page":"155","last_page":"168"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9980999827384949,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9961000084877014,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.48914459347724915}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.48914459347724915}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s42514-024-00209-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s42514-024-00209-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s42514-024-00209-8.pdf","source":{"id":"https://openalex.org/S4210190911","display_name":"CCF Transactions on High Performance Computing","issn_l":"2524-4922","issn":["2524-4922","2524-4930"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"CCF Transactions on High Performance Computing","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1007/s42514-024-00209-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s42514-024-00209-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s42514-024-00209-8.pdf","source":{"id":"https://openalex.org/S4210190911","display_name":"CCF Transactions on High Performance Computing","issn_l":"2524-4922","issn":["2524-4922","2524-4930"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"CCF Transactions on High Performance Computing","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1414335964","display_name":"Research Initiation--Free Convection from a Horizontal  Cylinder to a Non-Newtonian Fluid","funder_award_id":"7035455","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"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/G1956169666","display_name":"FourierNet:  Routing in Dense Networks","funder_award_id":"0240383","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"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/G2954701993","display_name":null,"funder_award_id":"ZR2022","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"},{"id":"https://openalex.org/G3078953789","display_name":null,"funder_award_id":"202403","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3587590467","display_name":"Federal Cybercorps:  Scholarships For Service (SFS) Program - FY'02 funds","funder_award_id":"0240703","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G414027051","display_name":"Modeling Stellar Exotica in Dense Star Clusters","funder_award_id":"0703545","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G5167658548","display_name":null,"funder_award_id":"T2125013, 62032023, 61972377, 92270206, 61972380","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5563020673","display_name":null,"funder_award_id":"61972416","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"},{"id":"https://openalex.org/G6059194225","display_name":null,"funder_award_id":"61972416","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7422609337","display_name":null,"funder_award_id":"ZR2022LZH009","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"},{"id":"https://openalex.org/G8716056777","display_name":null,"funder_award_id":"BX20240383","funder_id":"https://openalex.org/F4320335768","funder_display_name":"National Postdoctoral Program for Innovative Talents"}],"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/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null},{"id":"https://openalex.org/F4320335768","display_name":"National Postdoctoral Program for Innovative Talents","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4407624084.pdf","grobid_xml":"https://content.openalex.org/works/W4407624084.grobid-xml"},"referenced_works_count":42,"referenced_works":["https://openalex.org/W842872497","https://openalex.org/W1480947737","https://openalex.org/W2002555321","https://openalex.org/W2019430444","https://openalex.org/W2025444507","https://openalex.org/W2029023406","https://openalex.org/W2042120213","https://openalex.org/W2078636996","https://openalex.org/W2102061396","https://openalex.org/W2134048650","https://openalex.org/W2140303949","https://openalex.org/W2153882824","https://openalex.org/W2155155530","https://openalex.org/W2161708191","https://openalex.org/W2313116527","https://openalex.org/W2580538010","https://openalex.org/W2742127985","https://openalex.org/W2775708988","https://openalex.org/W2804359235","https://openalex.org/W2946383579","https://openalex.org/W2952598959","https://openalex.org/W2985776732","https://openalex.org/W3006005697","https://openalex.org/W3100406893","https://openalex.org/W3128098196","https://openalex.org/W3132277775","https://openalex.org/W3133931590","https://openalex.org/W3153309660","https://openalex.org/W3164295949","https://openalex.org/W3188723794","https://openalex.org/W3201073812","https://openalex.org/W3203087587","https://openalex.org/W3207764442","https://openalex.org/W3210190478","https://openalex.org/W4220834411","https://openalex.org/W4220914069","https://openalex.org/W4220982735","https://openalex.org/W4225405705","https://openalex.org/W4289793942","https://openalex.org/W4321636675","https://openalex.org/W4321636692","https://openalex.org/W4394729483"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W4391913857","https://openalex.org/W2358668433","https://openalex.org/W4396701345","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W4396696052"],"abstract_inverted_index":{"Abstract":[0],"Deep":[1],"potential":[2],"(DP)":[3],"scheme":[4,31],"has":[5],"increased":[6],"the":[7,15,20,40,48,64,68,75,96,107,112,153,159],"simulation":[8],"temporal":[9],"and":[10,46,74,83,100,110],"spatial":[11],"scales":[12],"while":[13],"maintaining":[14],"ab":[16],"initio":[17],"accuracy":[18],"of":[19,43,67,127,146,169],"molecular":[21],"dynamics.":[22],"DeePMD-kit":[23,44,70],"is":[24],"an":[25,54],"outstanding":[26],"application":[27,77],"that":[28,132],"implements":[29],"DP":[30],"efficiently.":[32],"However,":[33],"current":[34],"performance":[35,56],"model":[36,57],"cannot":[37],"accurately":[38,62],"measure":[39,63],"resource":[41,65],"utilization":[42,66],"operators":[45],"predict":[47,158],"execution":[49,137,161],"time.":[50],"We":[51],"introduce":[52],"DP-perf,":[53,103],"interpretable":[55],"for":[58,115],"DeePMD-kit.":[59],"DP-perf":[60,133,156],"can":[61,87,105,134,157],"individual":[69],"operators,":[71],"communication":[72],"pattern,":[73],"overall":[76,136],"by":[78],"exploiting":[79],"physical":[80],"system":[81],"properties":[82],"machine":[84,109],"configurations.":[85],"It":[86],"be":[88],"easily":[89],"applied":[90],"to":[91],"mainstream":[92],"supercomputers":[93,130],"including":[94],"Tianhe-3F,":[95],"new":[97],"Sunway,":[98],"Fugaku,":[99],"Summit.":[101],"With":[102],"users":[104],"select":[106],"optimal":[108],"decide":[111],"corresponding":[113],"configuration":[114],"various":[116],"purposes":[117],"(e.g.,":[118],"lower":[119],"cost,":[120],"less":[121,170],"time)":[122],"without":[123],"real":[124],"runs.":[125],"Evaluation":[126],"four":[128],"top":[129],"shows":[131],"fit":[135],"time":[138,162],"with":[139,163],"a":[140,164],"low":[141],"mean":[142,165],"absolute":[143,166],"percentage":[144,167],"error":[145,168],"5.7":[147],"%/8.1%/14.3%/13.1%":[148],"on":[149],"Tianhe-3F/new":[150],"Sunway/Fugaku/Summit.":[151],"On":[152],"prediction":[154],"scenario,":[155],"total":[160],"than":[171],"20%.":[172]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}