{"id":"https://openalex.org/W7164491461","doi":"https://doi.org/10.48550/arxiv.2606.12834","title":"Fantastic Scientific Agents and How to Build Them: AgentBuild for Rietveld Refinement","display_name":"Fantastic Scientific Agents and How to Build Them: AgentBuild for Rietveld Refinement","publication_year":2026,"publication_date":"2026-06-11","ids":{"openalex":"https://openalex.org/W7164491461","doi":"https://doi.org/10.48550/arxiv.2606.12834"},"language":null,"primary_location":{"id":"doi:10.48550/arxiv.2606.12834","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2606.12834","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"type":"preprint","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.48550/arxiv.2606.12834","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5130930416","display_name":"Woong Shin","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shin, Woong","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064524252","display_name":"Craig A. Bridges","orcid":"https://orcid.org/0000-0002-3543-463X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bridges, Craig A.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071017827","display_name":"Marshall McDonnell","orcid":"https://orcid.org/0000-0002-3713-2117"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"McDonnell, Marshall T.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5134066814","display_name":"R Ferreira da Silva","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"da Silva, Rafael Ferreira","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.8194000124931335,"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":0.8194000124931335,"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":0.12919999659061432,"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/T11206","display_name":"Model Reduction and Neural Networks","score":0.0027000000700354576,"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/workflow","display_name":"Workflow","score":0.6226999759674072},{"id":"https://openalex.org/keywords/executable","display_name":"Executable","score":0.4593000113964081},{"id":"https://openalex.org/keywords/knowledge-base","display_name":"Knowledge base","score":0.3903000056743622},{"id":"https://openalex.org/keywords/frame","display_name":"Frame (networking)","score":0.3163999915122986},{"id":"https://openalex.org/keywords/base","display_name":"Base (topology)","score":0.3118000030517578},{"id":"https://openalex.org/keywords/deferral","display_name":"Deferral","score":0.3095000088214874}],"concepts":[{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.6226999759674072},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5504999756813049},{"id":"https://openalex.org/C160145156","wikidata":"https://www.wikidata.org/wiki/Q778586","display_name":"Executable","level":2,"score":0.4593000113964081},{"id":"https://openalex.org/C4554734","wikidata":"https://www.wikidata.org/wiki/Q593744","display_name":"Knowledge base","level":2,"score":0.3903000056743622},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.3197999894618988},{"id":"https://openalex.org/C126042441","wikidata":"https://www.wikidata.org/wiki/Q1324888","display_name":"Frame (networking)","level":2,"score":0.3163999915122986},{"id":"https://openalex.org/C42058472","wikidata":"https://www.wikidata.org/wiki/Q810214","display_name":"Base (topology)","level":2,"score":0.3118000030517578},{"id":"https://openalex.org/C2778281098","wikidata":"https://www.wikidata.org/wiki/Q885383","display_name":"Deferral","level":2,"score":0.3095000088214874},{"id":"https://openalex.org/C195732255","wikidata":"https://www.wikidata.org/wiki/Q981008","display_name":"Sociology of scientific knowledge","level":2,"score":0.2946000099182129},{"id":"https://openalex.org/C179518139","wikidata":"https://www.wikidata.org/wiki/Q5140297","display_name":"Coding (social sciences)","level":2,"score":0.27219998836517334},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.26980000734329224},{"id":"https://openalex.org/C97256817","wikidata":"https://www.wikidata.org/wiki/Q1462316","display_name":"Spurious relationship","level":2,"score":0.26660001277923584},{"id":"https://openalex.org/C138379479","wikidata":"https://www.wikidata.org/wiki/Q1116876","display_name":"Scientific modelling","level":2,"score":0.2606000006198883},{"id":"https://openalex.org/C2780643141","wikidata":"https://www.wikidata.org/wiki/Q819049","display_name":"Pledge","level":2,"score":0.25999999046325684},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.25679999589920044},{"id":"https://openalex.org/C55439883","wikidata":"https://www.wikidata.org/wiki/Q360812","display_name":"Correctness","level":2,"score":0.2529999911785126}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.48550/arxiv.2606.12834","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2606.12834","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.48550/arxiv.2606.12834","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2606.12834","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"As":[0,159],"scientific":[1,41],"workflows":[2],"shift":[3],"from":[4,43],"deterministic":[5],"executables":[6],"to":[7],"LLM-based":[8],"agents,":[9],"the":[10,23,46,74,81,84,87,122,132,149,172,177],"development":[11],"practices":[12],"on":[13],"offer,":[14],"such":[15],"as":[16,31,126],"fine-tuning,":[17],"reinforcement":[18],"learning,":[19],"and":[20,35,58,104,130,171],"prompt-and-go,":[21],"bury":[22],"scientist's":[24,88,173],"judgment.":[25,89],"We":[26,90],"propose":[27],"treating":[28],"agent":[29,42,71,75],"construction":[30,109],"a":[32,40,44,52,55,59,68,77,107,113,127,151,156,166,169],"workflow":[33],"stage":[34],"introduce":[36],"AgentBuild,":[37],"which":[38],"builds":[39],"contract":[45,50,152,175],"scientist":[47],"authors.":[48],"The":[49,137],"is":[51,165],"version-controlled":[53],"rubric,":[54],"difficulty-graded":[56],"curriculum,":[57],"curated":[60],"external":[61],"knowledge":[62],"base.":[63],"A":[64],"rubric-driven":[65],"judge":[66],"gates":[67],"meta-optimizer":[69],"coding":[70],"that":[72,135,140],"edits":[73],"within":[76],"declared":[78],"boundary,":[79],"so":[80],"build":[82],"compiles":[83],"agent,":[85],"not":[86,168],"instantiate":[91],"this":[92],"for":[93],"Rietveld":[94],"refinement":[95],"of":[96],"X-ray":[97],"diffraction":[98],"data":[99],"through":[100,112],"GSAS-II":[101],"behind":[102],"MCP":[103],"A2A,":[105],"where":[106],"blank-harness":[108],"run":[110],"progresses":[111],"lithium":[114],"lanthanum":[115],"zirconium":[116],"oxide":[117],"(LLZO)":[118],"signal-to-noise":[119],"ladder,":[120],"reaches":[121],"4":[123],"hour":[124],"scan":[125],"frontier":[128,150],"case,":[129],"exposes":[131],"workflow-scope":[133],"limits":[134],"remain.":[136],"same":[138],"rubric":[139],"rewards":[141],"credible":[142],"fits":[143],"also":[144],"scores":[145],"trajectory":[146],"scope,":[147],"making":[148],"failure":[153],"rather":[154],"than":[155],"pattern-fitting":[157],"failure.":[158],"base":[160],"models":[161],"evolve,":[162],"re-running":[163],"AgentBuild":[164],"re-tune,":[167],"rebuild,":[170],"authored":[174],"remains":[176],"durable":[178],"asset.":[179]},"counts_by_year":[],"updated_date":"2026-07-01T06:00:48.157686","created_date":"2026-06-13T00:00:00"}