{"id":"W7019299973","doi":"","title":"Graph Neural Network-Accelerated Multitasking Genetic Algorithm for Optimizing Pd<sub><i>x</i></sub>Ti<sub>1-<i>x</i></sub>H<sub><i>y</i></sub> Surfaces under Various CO<sub>2</sub> Reduction Reaction Conditions","year":2024,"lang":"en","type":"article","venue":"Technical University of Denmark, DTU Orbit (Technical University of Denmark, DTU)","topic":"CO2 Reduction Techniques and Catalysts","field":"Energy","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Discovery Centre","funders":"","keywords":"Human multitasking; Reduction (mathematics); Genetic algorithm; Graph; Artificial neural network; Minification","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":[0.0008565945,0.001158603,0.001069307,0.001027965,0.0005213711,0.0007880857,0.001549515,0.002409574,0.004521539],"category_scores_gemma":[0.002789303,0.0005770816,0.0008318654,0.001014244,0.0006767697,0.0007457489,0.0009338457,0.001542013,0.0005309319],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001548406,"about_ca_system_score_gemma":0.002854645,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.03383533,"about_ca_topic_score_gemma":0.03005712,"domain_scores_codex":[0.9996767,0.0001007042,0.00001422939,0.00008011481,0.00007615407,0.00005219567],"domain_scores_gemma":[0.9989572,0.0007216317,0.00005127998,0.00003516458,0.0001933399,0.00004129557],"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":[0.00004491654,0.00005271416,0.0002870175,0.00003417161,0.0000218212,0.00003563293,0.00002373454,0.9678917,0.000476454,0.001753653,0.001033964,0.02834426],"study_design_scores_gemma":[0.000007354,0.000008979359,0.00003283536,0.000001873969,0.000002606487,0.000002772401,0.000003779361,0.9994324,0.00008094822,0.0003337317,0.00009119829,0.00000143485],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.0891111,0.0007765863,0.8949172,0.0007485821,0.0003101536,0.0002242007,0.0002194531,0.001716118,0.01197654],"genre_scores_gemma":[0.5719249,0.0002175883,0.4188361,0.0004858751,0.00006239268,0.0004410572,0.0004865319,0.0003444405,0.007201208],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.03383533,"threshold_uncertainty_score":0.06727678,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0173504691420324,"score_gpt":0.2342564230583742,"score_spread":0.2169059539163418,"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."}}