{"id":"W4389761551","doi":"10.48550/arxiv.2312.07511","title":"A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems","year":2023,"lang":"en","type":"preprint","venue":"arXiv (Cornell University)","topic":"Nuclear Physics and Applications","field":"Physics and Astronomy","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","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":[0.001025137,0.001934645,0.0008889235,0.002579598,0.0007194442,0.002453121,0.002626157,0.00260521,0.03032412],"category_scores_gemma":[0.005022765,0.001078474,0.001227994,0.002603343,0.002472302,0.004671262,0.00193344,0.006581003,0.017865],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001567257,"about_ca_system_score_gemma":0.001149163,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004679057,"about_ca_topic_score_gemma":0.006431505,"domain_scores_codex":[0.999477,0.0001446949,0.00004986104,0.0001241885,0.0001769404,0.00002744645],"domain_scores_gemma":[0.9986892,0.0008060138,0.0000391259,0.000168307,0.0002390062,0.00005820159],"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":[0.00002864215,0.00004950619,0.0002364321,0.0007162948,0.0000436281,0.0002206387,0.0002813372,0.01417043,0.001265685,0.534712,0.2954632,0.1528121],"study_design_scores_gemma":[0.00001214149,0.00001891088,0.000129789,0.0002493443,0.000006487837,0.0002308384,0.00003451714,0.01350786,0.0003291719,0.4204604,0.5649888,0.00003182329],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"review","genre_scores_codex":[0.0006560799,0.03829238,0.8777356,0.01068193,0.004343214,0.0001673781,0.002777896,0.004442746,0.06090273],"genre_scores_gemma":[0.02258367,0.06599281,0.8071632,0.009506348,0.006206613,0.0009918069,0.003889348,0.003215468,0.08045079],"genre_candidate":"review","genre_consensus":null,"teacher_disagreement_score":0.03032412,"threshold_uncertainty_score":0.1014443,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06809355014235814,"score_gpt":0.2180331259182261,"score_spread":0.149939575775868,"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."}}