{"id":"W3031363365","doi":"10.1039/d0sc00982b","title":"Pushing property limits in materials discovery<i>via</i>boundless objective-free exploration","year":2020,"lang":"en","type":"article","venue":"Chemical Science","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"Innovation Cluster (Canada)","funders":"Core Research for Evolutional Science and Technology; RIKEN; Exploratory Research for Advanced Technology; National Institute for Materials Science; Ministry of Education, Culture, Sports, Science and Technology","keywords":"Property (philosophy); Computer science; Astrobiology; Physics; Philosophy; Epistemology","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":"codex-gemma-dda1882f352a","candidate_categories":["scholarly_communication"],"consensus_categories":[],"category_scores_codex":[0.002050237,0.0002728583,0.0003773069,0.00009304989,0.000296801,0.001364482,0.002533861,0.00009011874,0.0003554279],"category_scores_gemma":[0.003694151,0.0001902705,0.0000377298,0.001314331,0.001149831,0.004356408,0.0009081857,0.0002187349,0.0003266216],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002263277,"about_ca_system_score_gemma":0.0002718743,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003697315,"about_ca_topic_score_gemma":0.00002388497,"domain_scores_codex":[0.9961559,0.0001704058,0.0005596192,0.001204693,0.001090865,0.0008185048],"domain_scores_gemma":[0.9986526,0.0001119458,0.0002226111,0.0005848803,0.0001255489,0.0003024209],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00005478995,0.00004440305,0.0003425828,0.00004121846,4.482378e-7,0.000008960373,0.001491432,0.0003508947,0.9969651,0.0003486091,0.0001020259,0.0002495354],"study_design_scores_gemma":[0.0003166258,0.00005978231,0.0008155192,0.00005524136,0.000002637609,0.000008624405,0.000133071,0.002243236,0.9945687,0.001262219,0.0002123037,0.0003220424],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9886037,0.00001560088,0.005230838,0.003615233,0.0006752292,0.0004069221,0.00001777944,0.0001969496,0.001237824],"genre_scores_gemma":[0.99278,0.00000414462,0.005965794,0.0008276466,0.0002559684,0.00006553958,0.000004932645,0.00002098333,0.00007498652],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00417638,"threshold_uncertainty_score":0.9996722,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0295549709824757,"score_gpt":0.2614848664078177,"score_spread":0.231929895425342,"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."}}