{"id":"https://openalex.org/W3008213669","doi":"https://doi.org/10.1109/bigdata47090.2019.9005968","title":"Learning to Predict Material Structure from Neutron Scattering Data","display_name":"Learning to Predict Material Structure from Neutron Scattering Data","publication_year":2019,"publication_date":"2019-12-01","ids":{"openalex":"https://openalex.org/W3008213669","doi":"https://doi.org/10.1109/bigdata47090.2019.9005968","mag":"3008213669"},"language":"en","primary_location":{"id":"doi:10.1109/bigdata47090.2019.9005968","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bigdata47090.2019.9005968","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2019 IEEE International Conference on Big Data (Big Data)","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/servlets/purl/1651371","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5086975677","display_name":"Cristina Garc\u00eda\u2013Cardona","orcid":"https://orcid.org/0000-0002-5641-3491"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Cristina Garcia-Cardona","raw_affiliation_strings":["Los Alamos National Laboratory"],"affiliations":[{"raw_affiliation_string":"Los Alamos National Laboratory","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014168997","display_name":"Ramakrishnan Kannan","orcid":"https://orcid.org/0000-0002-5852-4806"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ramakrishnan Kannan","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084600563","display_name":"Travis Johnston","orcid":"https://orcid.org/0000-0001-7108-1934"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Travis Johnston","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073026110","display_name":"Thomas Proffen","orcid":"https://orcid.org/0000-0002-1408-6031"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Thomas Proffen","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037999285","display_name":"Katharine Page","orcid":"https://orcid.org/0000-0002-9071-3383"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Katharine Page","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039319913","display_name":"Sudip K. Seal","orcid":"https://orcid.org/0000-0003-3233-0656"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sudip K. Seal","raw_affiliation_strings":["Oak Ridge National Laboratory"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory","institution_ids":["https://openalex.org/I1289243028"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5086975677"],"corresponding_institution_ids":["https://openalex.org/I1343871089"],"apc_list":null,"apc_paid":null,"fwci":0.9133,"has_fulltext":true,"cited_by_count":19,"citation_normalized_percentile":{"value":0.72150601,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"4490","last_page":"4497"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.9998999834060669,"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/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.9998999834060669,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9997000098228455,"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/T11949","display_name":"Nuclear Physics and Applications","score":0.9930999875068665,"subfield":{"id":"https://openalex.org/subfields/3108","display_name":"Radiation"},"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/pipeline","display_name":"Pipeline (software)","score":0.7152206301689148},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.589806318283081},{"id":"https://openalex.org/keywords/neutron-scattering","display_name":"Neutron scattering","score":0.5772428512573242},{"id":"https://openalex.org/keywords/scattering","display_name":"Scattering","score":0.5717460513114929},{"id":"https://openalex.org/keywords/benchmarking","display_name":"Benchmarking","score":0.5583594441413879},{"id":"https://openalex.org/keywords/decipher","display_name":"DECIPHER","score":0.435534805059433},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4324303865432739},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.41648420691490173},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.21692022681236267},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.13307389616966248}],"concepts":[{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.7152206301689148},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.589806318283081},{"id":"https://openalex.org/C104015590","wikidata":"https://www.wikidata.org/wiki/Q1451740","display_name":"Neutron scattering","level":3,"score":0.5772428512573242},{"id":"https://openalex.org/C191486275","wikidata":"https://www.wikidata.org/wiki/Q210028","display_name":"Scattering","level":2,"score":0.5717460513114929},{"id":"https://openalex.org/C86251818","wikidata":"https://www.wikidata.org/wiki/Q816754","display_name":"Benchmarking","level":2,"score":0.5583594441413879},{"id":"https://openalex.org/C164614171","wikidata":"https://www.wikidata.org/wiki/Q5204775","display_name":"DECIPHER","level":2,"score":0.435534805059433},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4324303865432739},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.41648420691490173},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.21692022681236267},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.13307389616966248},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"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/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1109/bigdata47090.2019.9005968","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bigdata47090.2019.9005968","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2019 IEEE International Conference on Big Data (Big Data)","raw_type":"proceedings-article"},{"id":"pmh:oai:osti.gov:1651371","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1651371","pdf_url":"https://www.osti.gov/servlets/purl/1651371","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"pmh:oai:osti.gov:1651371","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1651371","pdf_url":"https://www.osti.gov/servlets/purl/1651371","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},"sustainable_development_goals":[{"display_name":"Sustainable cities and communities","id":"https://metadata.un.org/sdg/11","score":0.4399999976158142}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W3008213669.pdf"},"referenced_works_count":11,"referenced_works":["https://openalex.org/W1967485833","https://openalex.org/W2059919683","https://openalex.org/W2093492509","https://openalex.org/W2253128144","https://openalex.org/W2497264409","https://openalex.org/W2911964244","https://openalex.org/W2916386941","https://openalex.org/W2939793355","https://openalex.org/W2951278093","https://openalex.org/W3108697635","https://openalex.org/W6723647193"],"related_works":["https://openalex.org/W4238897586","https://openalex.org/W435179959","https://openalex.org/W2115350162","https://openalex.org/W2619091065","https://openalex.org/W2059640416","https://openalex.org/W1490753184","https://openalex.org/W2284465472","https://openalex.org/W2291782699","https://openalex.org/W1993948687","https://openalex.org/W2011676020"],"abstract_inverted_index":{"Understanding":[0],"structural":[1],"properties":[2],"of":[3,26,49,58,91,115,124,131,161],"materials":[4,27,60,162],"and":[5,32,71,107,119,135],"how":[6],"they":[7],"relate":[8],"to":[9,39,54,153],"its":[10],"atomic":[11,45],"structure,":[12],"while":[13],"extremely":[14],"challenging,":[15],"is":[16,35,102,151],"a":[17,36,80,92,120],"key":[18],"scientific":[19],"quest":[20],"that":[21,101,139],"has":[22],"dominated":[23],"the":[24,44,56,113,116],"landscape":[25],"research":[28],"for":[29,97,158,168],"decades.":[30],"Neutron":[31],"X-ray":[33],"scattering":[34,52,65,77,145],"state-of-the-art":[37],"method":[38],"investigate":[40],"material":[41,98,140,171],"structure":[42,57,99,141,172],"on":[43,63],"scale.":[46],"Traditional":[47],"methods":[48],"processing":[50],"neutron":[51,144],"data":[53,146],"decipher":[55],"target":[59],"have":[61],"relied":[62],"computing":[64],"patterns":[66],"using":[67,147],"physics-based":[68],"forward":[69],"models":[70,128,150,165],"comparing":[72],"them":[73],"with":[74],"experimentally":[75],"gathered":[76],"profiles":[78],"within":[79,154],"computationally":[81,103],"expensive":[82],"optimization":[83],"loop.":[84],"Here,":[85],"we":[86],"report":[87],"an":[88],"initial":[89],"design":[90],"data-driven":[93],"machine":[94,126],"learning":[95,127,149],"pipeline":[96,118],"prediction":[100,133,142,156],"faster":[104],"(once":[105],"trained)":[106],"potentially":[108],"more":[109,169],"accurate.":[110],"We":[111,137],"describe":[112],"architecture":[114],"ML":[117],"preliminary":[121],"benchmarking":[122],"study":[123],"shallow":[125,148],"in":[129],"terms":[130],"their":[132],"accuracy":[134,157],"limitations.":[136],"show":[138],"from":[143],"feasible":[152],"90%":[155],"certain":[159],"classes":[160],"but":[163],"deeper":[164],"are":[166],"required":[167],"general":[170],"predictions.":[173]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":4}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}