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. 2025 May 30;17:87. doi: 10.1186/s13321-025-01030-3

Table 3.

SAMMNet performance for different λAM and λNC configurations

λAM λNC Description Initial accuracy (%) ± std Symmetry-aware accuracy (%) ± std
0.5 0.5 Balanced MTL 87.3 ± 0.09 96.2 ± 0.14
0.3 0.7 Emphasis on NC 86.7 ± 0.1 95.0 ± 0.05
0.7 0.3 Emphasis on AM 88.51 ± 0.07 97.37 ± 0.06
1.0 0.0 Pure Vanilla training 87.6 ± 0.08 96.5 ± 0.07
0.0 1.0 Pure node classification 69.9 ± 1.2 76.6 ± 0.9

Bold values indicate the best-performing results for each evaluation metric