{"id":"W4407821250","doi":"10.1016/j.seppur.2025.132192","title":"Good modeling practice for calibration applied to ion exchange breakthrough prediction","year":2025,"lang":"en","type":"article","venue":"Separation and Purification Technology","topic":"Membrane-based Ion Separation Techniques","field":"Engineering","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université Laval","funders":"Universiteit Gent; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; National Science Foundation","keywords":"Calibration; Ion exchange; Biochemical engineering; Process engineering; Computer science; Environmental science; Chemistry; Ion; Engineering; Management science; Mathematics; Organic chemistry; Statistics","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":[],"consensus_categories":[],"category_scores_codex":[0.0003054049,0.0001641057,0.0001768174,0.0006480592,0.0001771275,0.00007337503,0.0001144891,0.0003395378,0.0000131683],"category_scores_gemma":[0.0001099425,0.0001980141,0.00002601975,0.0007468185,0.00002868853,0.0003769526,0.00001835709,0.0001381709,0.00001521611],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009446374,"about_ca_system_score_gemma":0.00003594171,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004591479,"about_ca_topic_score_gemma":0.000009313761,"domain_scores_codex":[0.9988909,0.00002793744,0.0004377227,0.0003479232,0.0001160161,0.0001794464],"domain_scores_gemma":[0.9992826,0.00006761534,0.00007156273,0.0003267413,0.0002049561,0.0000465177],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002359462,0.0001408044,0.0000368388,0.0003700199,0.00008948733,3.034504e-7,0.0008750391,0.07979733,0.2954261,0.5150128,0.02085498,0.08716038],"study_design_scores_gemma":[0.0005746256,0.0001149661,0.00002287464,0.00003112976,0.00004556084,0.00000503244,0.0003422018,0.6221483,0.2178311,0.008685271,0.1499624,0.0002365963],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.008598674,0.0003164836,0.9759297,0.004588899,0.0002734665,0.001574673,0.00003166536,0.001955208,0.006731202],"genre_scores_gemma":[0.9682842,0.000334578,0.02796471,0.0006329548,0.00008679657,0.001986639,0.0003056286,0.00002969025,0.0003748212],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.9596855,"threshold_uncertainty_score":0.8074781,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01457898262346343,"score_gpt":0.294113294943584,"score_spread":0.2795343123201205,"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."}}