GRAPH REPRESENTATION PARAMETERS
Voronoi tolerance = 0.25 Angstrom
Atomic radii scaling factor = 1.25
Surface order metal neighbours inclusion = 2
Node adsorbate/surface descriptor = False
Node radical descriptor = False
TRAINING PROCESS
14-Oct-2025, 10:47:36
Dataset Size = 13634
Data Split (Train/Val) = 80-20 %
Target scaling = std
Dataset (train+val) mean = -48.232082 eV
Dataset (train+val) standard deviation = 28.585464 eV
Epochs = 250
Batch Size = 32
Optimizer = Adam
Learning Rate scheduler = Reduce Loss On Plateau
Initial Learning Rate = 0.001
Minimum Learning Rate = 1e-07
Patience (lr-scheduler) = 5
Factor (lr-scheduler) = 0.7
Loss function = mae
