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Space group classification 벤치마크

Space group classification on CHILI-3K

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F1-score (Weighted)

0.009 0.19 0.371 0.552 0.733 2024-02 2026-09 EdgeCNN — 0.733 (2024-02-20) GraphSAGE — 0.151 (2024-02-20) PMLP — 0.135 (2024-02-20) GIN — 0.125 (2024-02-20) GAT — 0.113 (2024-02-20) Most Frequent Class — 0.108 (2024-02-20) GCN — 0.099 (2024-02-20) GraphUNet — 0.095 (2024-02-20) Random — 0.009 (2024-02-20) EdgeCNN — 0.733 (2024-02-20) GraphSAGE — 0.151 (2024-02-20) PMLP — 0.135 (2024-02-20) GIN — 0.125 (2024-02-20) GAT — 0.113 (2024-02-20) Most Frequent Class — 0.108 (2024-02-20) GCN — 0.099 (2024-02-20) GraphUNet — 0.095 (2024-02-20) Random — 0.009 (2024-02-20) EdgeCNN — 0.733 (2024-02-20)
RankModel F1-score (Weighted) PaperCodeYear
1 EdgeCNN 0.733 +/- 0.207 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
2 GraphSAGE 0.151 +/- 0.045 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
3 PMLP 0.135 +/- 0.006 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
4 GIN 0.125 +/- 0.026 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
5 GAT 0.113 +/- 0.013 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
6 Most Frequent Class 0.108 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
7 GCN 0.099 +/- 0.019 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
8 GraphUNet 0.095 +/- 0.036 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
9 Random 0.009 +/- 0.008 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
10 EdgeCNN 0.733 +/- 0.207 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
11 GraphSAGE 0.151 +/- 0.045 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
12 PMLP 0.135 +/- 0.006 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
13 GIN 0.125 +/- 0.026 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
14 GAT 0.113 +/- 0.013 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
15 Most Frequent Class 0.108 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
16 GCN 0.099 +/- 0.019 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
17 GraphUNet 0.095 +/- 0.036 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
18 Random 0.009 +/- 0.008 CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning UlrikFriisJensen/CHILI 2024
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