Skip to content

AI2Pot v1.1.2

Choose a tag to compare

@lhycms lhycms released this 13 Sep 14:16
· 61 commits to main since this release
7436487

Summary

This release improves the training stability of NNMTP and NEP in AI2Pot.

Key updates include:

  • Add configurable weight_decay support to LitPotentialBase in PR#16
  • Switch the optimizer to AdamW for decoupled weight decay.
  • Improve the numerical stability of the tanh implementation to prevent overflow for large hidden values in PR#16