{"id":"https://openalex.org/W4416004460","doi":"https://doi.org/10.1145/3731599.3767349","title":"LangChain-Parsl: Connect Large Language Model Agents to High Performance Computing Resource","display_name":"LangChain-Parsl: Connect Large Language Model Agents to High Performance Computing Resource","publication_year":2025,"publication_date":"2025-11-07","ids":{"openalex":"https://openalex.org/W4416004460","doi":"https://doi.org/10.1145/3731599.3767349"},"language":null,"primary_location":{"id":"doi:10.1145/3731599.3767349","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3731599.3767349","pdf_url":null,"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 SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1145/3731599.3767349","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100710715","display_name":"Heng Ma","orcid":"https://orcid.org/0000-0002-7667-922X"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Heng Ma","raw_affiliation_strings":["Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA"],"raw_orcid":"https://orcid.org/0000-0002-7667-922X","affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059741659","display_name":"Alexander Brace","orcid":"https://orcid.org/0000-0001-9873-9177"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alexander Brace","raw_affiliation_strings":["Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA"],"raw_orcid":"https://orcid.org/0000-0001-9873-9177","affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100422121","display_name":"Carlo Siebenschuh","orcid":"https://orcid.org/0000-0003-0215-3716"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Carlo Siebenschuh","raw_affiliation_strings":["Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA"],"raw_orcid":"https://orcid.org/0000-0003-0215-3716","affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032231503","display_name":"Ian Foster","orcid":"https://orcid.org/0000-0003-2129-5269"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ian Foster","raw_affiliation_strings":["Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA"],"raw_orcid":"https://orcid.org/0000-0003-2129-5269","affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028188095","display_name":"Arvind Ramanathan","orcid":"https://orcid.org/0000-0002-1622-5488"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Arvind Ramanathan","raw_affiliation_strings":["Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA"],"raw_orcid":"https://orcid.org/0000-0002-1622-5488","affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Lemont, USA and University of Chicago, Chicago, USA","institution_ids":["https://openalex.org/I1282105669"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I1282105669"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"78","last_page":"85"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.5480999946594238,"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":0.5480999946594238,"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/T11986","display_name":"Scientific Computing and Data Management","score":0.15000000596046448,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T11636","display_name":"Artificial Intelligence in Healthcare and Education","score":0.021400000900030136,"subfield":{"id":"https://openalex.org/subfields/2718","display_name":"Health Informatics"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7225000262260437},{"id":"https://openalex.org/keywords/workstation","display_name":"Workstation","score":0.7175999879837036},{"id":"https://openalex.org/keywords/implementation","display_name":"Implementation","score":0.6424999833106995},{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.550599992275238},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5299999713897705},{"id":"https://openalex.org/keywords/bridge","display_name":"Bridge (graph theory)","score":0.49799999594688416},{"id":"https://openalex.org/keywords/resource","display_name":"Resource (disambiguation)","score":0.4422000050544739},{"id":"https://openalex.org/keywords/calculator","display_name":"Calculator","score":0.3955000042915344}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.855400025844574},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7225000262260437},{"id":"https://openalex.org/C67953723","wikidata":"https://www.wikidata.org/wiki/Q192525","display_name":"Workstation","level":2,"score":0.7175999879837036},{"id":"https://openalex.org/C26713055","wikidata":"https://www.wikidata.org/wiki/Q245962","display_name":"Implementation","level":2,"score":0.6424999833106995},{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.550599992275238},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5299999713897705},{"id":"https://openalex.org/C100776233","wikidata":"https://www.wikidata.org/wiki/Q2532492","display_name":"Bridge (graph theory)","level":2,"score":0.49799999594688416},{"id":"https://openalex.org/C206345919","wikidata":"https://www.wikidata.org/wiki/Q20380951","display_name":"Resource (disambiguation)","level":2,"score":0.4422000050544739},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.4339999854564667},{"id":"https://openalex.org/C2776836400","wikidata":"https://www.wikidata.org/wiki/Q31087","display_name":"Calculator","level":2,"score":0.3955000042915344},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.3725999891757965},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.37059998512268066},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.35280001163482666},{"id":"https://openalex.org/C160403385","wikidata":"https://www.wikidata.org/wiki/Q220543","display_name":"Queue","level":2,"score":0.32330000400543213},{"id":"https://openalex.org/C2776834041","wikidata":"https://www.wikidata.org/wiki/Q25346349","display_name":"Execution model","level":2,"score":0.3059999942779541},{"id":"https://openalex.org/C2780385302","wikidata":"https://www.wikidata.org/wiki/Q367158","display_name":"Protocol (science)","level":3,"score":0.298799991607666},{"id":"https://openalex.org/C172430144","wikidata":"https://www.wikidata.org/wiki/Q17111997","display_name":"Symmetric multiprocessor system","level":2,"score":0.29739999771118164},{"id":"https://openalex.org/C118524514","wikidata":"https://www.wikidata.org/wiki/Q173212","display_name":"Computer architecture","level":1,"score":0.29510000348091125},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.287200003862381},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.2833000123500824},{"id":"https://openalex.org/C165696696","wikidata":"https://www.wikidata.org/wiki/Q11287","display_name":"Exploit","level":2,"score":0.28200000524520874},{"id":"https://openalex.org/C70388272","wikidata":"https://www.wikidata.org/wiki/Q5968558","display_name":"IBM","level":2,"score":0.27480000257492065},{"id":"https://openalex.org/C206729178","wikidata":"https://www.wikidata.org/wiki/Q2271896","display_name":"Scheduling (production processes)","level":2,"score":0.27070000767707825},{"id":"https://openalex.org/C93996380","wikidata":"https://www.wikidata.org/wiki/Q44127","display_name":"Server","level":2,"score":0.26660001277923584},{"id":"https://openalex.org/C2776505523","wikidata":"https://www.wikidata.org/wiki/Q4785468","display_name":"Plan (archaeology)","level":2,"score":0.2517000138759613}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3731599.3767349","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3731599.3767349","pdf_url":null,"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 SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3731599.3767349","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3731599.3767349","pdf_url":null,"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 SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320316507","display_name":"Coalition for Epidemic Preparedness Innovations","ror":"https://ror.org/02j9wvt50"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1968938754","https://openalex.org/W2002590736","https://openalex.org/W2010912571","https://openalex.org/W2025457936","https://openalex.org/W2036831418","https://openalex.org/W2067174909","https://openalex.org/W2085077000","https://openalex.org/W2098577807","https://openalex.org/W2109154308","https://openalex.org/W2139601584","https://openalex.org/W2885702861","https://openalex.org/W2902033442","https://openalex.org/W2943761765","https://openalex.org/W2997905860","https://openalex.org/W3022759321","https://openalex.org/W3025545768","https://openalex.org/W3097619145","https://openalex.org/W3195073955","https://openalex.org/W3203718464","https://openalex.org/W4285609472","https://openalex.org/W4385570088","https://openalex.org/W4386271902","https://openalex.org/W4388870365","https://openalex.org/W4389991792","https://openalex.org/W4409664358","https://openalex.org/W4411005431"],"related_works":[],"abstract_inverted_index":{"Large":[0],"Language":[1],"Models":[2],"(LLMs)":[3],"can":[4],"improve":[5],"performance":[6],"in":[7],"answering":[8],"questions":[9],"beyond":[10],"their":[11],"contextual":[12],"understanding":[13],"by":[14,63,112,142,192],"running":[15],"external":[16],"tools,":[17],"such":[18],"as":[19,148],"a":[20,97,144],"calculator":[21],"for":[22,27,45,134],"arithmetics,":[23],"an":[24,149],"online":[25],"query":[26],"real-time":[28],"weather,":[29],"et":[30],"al.":[31],"For":[32],"scientific":[33,54,188],"applications,":[34],"this":[35,67],"enables":[36],"the":[37,50,73,79,82,86,103,114,120,131,159],"LLM":[38,83,150,160,193],"to":[39,72,77,124,130,165],"perform":[40],"and":[41,85,94,102,127,174,200],"analyze":[42],"simulation":[43,175],"runs":[44],"more":[46],"accurate":[47],"answers.":[48],"However,":[49],"increasing":[51],"scale":[52],"of":[53,187],"computing":[55],"requires":[56],"high-performance":[57],"computers":[58],"(HPCs),":[59],"which":[60,118,152],"are":[61],"managed":[62],"job":[64],"schedulers.":[65],"In":[66],"work,":[68],"we":[69],"implemented":[70,111],"Parsl":[71,125,132,145,182],"LangChain":[74,115,121],"tool":[75,116,122],"calling":[76],"bridge":[78],"gap":[80],"between":[81],"agent":[84,161],"HPC":[87,105,201],"resource.":[88],"Two":[89],"implementations":[90,183],"were":[91],"set":[92],"up":[93],"tested":[95],"on":[96,195],"local":[98,197],"Nvidia":[99],"GPU":[100,198],"workstation":[101],"Polaris/ALCF":[104],"system.":[106],"The":[107,137,177],"first":[108],"setup":[109],"was":[110,140,163],"modifying":[113],"calling,":[117],"converts":[119],"calls":[123],"functions":[126],"queues":[128],"them":[129],"workers":[133],"parallel":[135,154,185],"execution.":[136],"second":[138],"approach":[139],"achieved":[141],"designing":[143],"ensemble":[146],"function":[147],"tool,":[151],"performed":[153],"tasks.":[155],"With":[156],"these":[157],"implementations,":[158],"workflow":[162],"prompted":[164],"run":[166],"molecular":[167],"dynamics":[168],"simulations,":[169],"with":[170],"different":[171],"protein":[172],"structures":[173],"conditions.":[176],"results":[178],"show":[179],"that":[180,190],"our":[181],"enable":[184],"execution":[186],"tools":[189],"invoked":[191],"agents":[194],"both":[196],"workstations":[199],"platforms.":[202]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-07-14T23:27:15.235271","created_date":"2025-11-07T00:00:00"}