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Table 2 Post-graph-network linear layers for predicting per-atom \(\mu\) and \(\sigma\)

From: Rapid prediction of NMR spectral properties with quantified uncertainty

  \(\mu\) \(\sigma\)
Input 2048 2048
Linear/ReLU 2048\(\rightarrow\)128 Linear/ReLU 2048\(\rightarrow\)128
Linear/ReLU 128\(\rightarrow\)128 Linear/ReLU 128 \(\rightarrow\) 1
128-residual output \(\sigma\)
128-residual  
128-residual  
Linear/ReLU 128\(\rightarrow\)128  
output \(\mu\)