[Feature request]: Allow user specified reductions for embeddings
laserkelvin opened this issue · 1 comments
laserkelvin commented
Feature/behavior summary
In certain instances it is desirable to have some flexibility in choice of embedding/output reduction. This line shows that mean reduction is hardcoded for process_embeddings.
Request attributes
- Would this be a refactor of existing code?
- Does this proposal require new package dependencies?
- Would this change break backwards compatibility?
- Does this proposal include a new model?
- Does this proposal include a new dataset?
- Does this proposal include a new task/workflow?
Related issues
#72 model definition uses a summation over intermediate layer energies/embeddings for their definition.
Solution description
The proposal is to provide an hparams argument for setting the reduction:
reduce_method = self.hparams.get("embedding_reduction", "mean")
output = reduce(output, "b ... d -> b d", reduction=reduce_method)Additional notes
@Vaibhav525 this will need to be merged to get the "proper" MACE behavior. This doesn't prevent #72 from being merged now since the changes are modular.
laserkelvin commented
Addressed by #86