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. 2026 Sep 9;16(43):53776–53805. doi: 10.1039/d6ra05786a

Table 2. Parameters optimization search space for the GCNN model.

Parameter Search space (phase 1)
Graph convolution layers [64, 64], [128, 64, 32], [64, 64, 64], or [256, 128, 64, 32]
Dense layer size 64, 128, or 256
Batch size 16, 32, or 64
Dropout X ∼ U(0, 0.5)
Learning rate log(X) ∼ U(−8.0, −3.0)
Weight decay 10−5, 10−4, or 10−3
Activation function Hyperbolic tangent (tan h) or rectified linear unit (ReLU)