NSAPH-Projects / topological-equivariant-networks

E(n)-Equivariant Topological Neural Networks
MIT License
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Normalize geometric features #46

Closed ekarais closed 6 months ago

ekarais commented 6 months ago

This small PR introduces two enhancements:

  1. Normalizing geometric features is now supported by setting the flag --normalize_invariants. Geometric features are normalized by passing them through a BatchNorm1d as soon as they are computed. We use a different BatchNorm1d layer for each adjacency type, since the features are then fed to separate networks. Note that this is different from adding batch normalization to TEN. We are just using BatchNorm1d to standardize geometric features in the beginning of the forward pass: 31e7a88, c532725
  2. A quality-of-life feature that avoids reading the entire dataset if --num_samples is set. This makes debugging take less time: a38b244