{"id":"W4402034665","doi":"10.1038/s41524-024-01381-9","title":"A deep generative modeling architecture for designing lattice-constrained perovskite materials","year":2024,"lang":"en","type":"article","venue":"npj Computational Materials","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; University of Ottawa","funders":"","keywords":"Generative grammar; Lattice (music); Architecture; Materials science; Computer science; Artificial intelligence; Physics; History","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003180089,0.0004674971,0.0004415239,0.0003640903,0.0002676586,0.0006696073,0.001011927,0.0007913196,0.003208854],"category_scores_gemma":[0.0006532522,0.0004332318,0.000870474,0.0003037346,0.0004937116,0.0005977223,0.0006741314,0.000819497,0.0005654613],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006502229,"about_ca_system_score_gemma":0.0006908384,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003516553,"about_ca_topic_score_gemma":0.007579088,"domain_scores_codex":[0.999913,0.00002386335,0.000003339724,0.00002233719,0.00002644209,0.00001103853],"domain_scores_gemma":[0.9998645,0.00007699856,0.00001029745,0.00001596721,0.00001997095,0.00001232897],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00002658319,0.00002715487,0.0004326231,0.00003974574,0.00002132712,0.00005984938,0.00003410919,0.9605973,0.003409247,0.0136864,0.0007444542,0.02092119],"study_design_scores_gemma":[0.000001780904,0.000003693794,0.000013261,0.000001384638,0.000001920536,0.00000506224,0.000001993494,0.997482,0.0003088315,0.001916422,0.0002626867,9.964824e-7],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.05145574,0.0004311603,0.9359485,0.0004915675,0.0000427298,0.00005397191,0.0003906075,0.00194365,0.009242101],"genre_scores_gemma":[0.7367836,0.0003776681,0.2542827,0.0002839822,0.0000292352,0.0002310941,0.0008606879,0.0003308853,0.006820088],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003516553,"threshold_uncertainty_score":0.01073468,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02329655833485302,"score_gpt":0.2933508349460694,"score_spread":0.2700542766112164,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}