{"id":"W4408909299","doi":"10.1137/1.9781611978285.ch10","title":"Chapter 10: Advanced discretizations","year":2025,"lang":"en","type":"book-chapter","venue":"Society for Industrial and Applied Mathematics eBooks","topic":"Advanced Physical and Chemical Molecular Interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland; University of Waterloo","funders":"","keywords":"Computer science","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":[0.0005715948,0.0008996462,0.000812796,0.001268659,0.0005773134,0.002037234,0.001523131,0.001037859,0.06854698],"category_scores_gemma":[0.001630315,0.0005406062,0.000852888,0.001685319,0.0007158748,0.00275641,0.001666558,0.00254399,0.02977597],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009283879,"about_ca_system_score_gemma":0.0009302479,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009786106,"about_ca_topic_score_gemma":0.001219501,"domain_scores_codex":[0.9994276,0.00009408317,0.00003432863,0.00008214451,0.0003301942,0.00003179888],"domain_scores_gemma":[0.9996639,0.00009393515,0.00001041051,0.00009153628,0.0001188076,0.00002135466],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00003952952,0.00004364887,0.0001033161,0.0006052182,0.00002276476,0.00004795967,0.00009774203,0.01811757,0.002320054,0.5917239,0.1282453,0.2586329],"study_design_scores_gemma":[0.00001332215,0.0000223634,0.0001185338,0.0003069031,0.0000120595,0.0001247717,0.00003581898,0.02849782,0.001674315,0.3045759,0.6645962,0.00002193897],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.001857152,0.03109677,0.5092857,0.002295902,0.005324725,0.0001526101,0.001706397,0.001969493,0.4463113],"genre_scores_gemma":[0.0554511,0.06548581,0.3573919,0.002049684,0.004216177,0.0005679964,0.006919744,0.003889775,0.504028],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.06854698,"threshold_uncertainty_score":0.2293125,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02704308062074443,"score_gpt":0.2491033050108548,"score_spread":0.2220602243901104,"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."}}