Add parameter freezing `STOLayer` and general performance fix

ACEsuit / Polynomials4ML.jl

Polynomials for ML: fast evaluation, batching, differentiation

MIT License

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Add parameter freezing `STOLayer` and general performance fix #67

Closed CheukHinHoJerry closed 11 months ago

CheukHinHoJerry commented 11 months ago

Updates from this branch (To be updated)

add freeze parameter STOLayer
type stability fix on some basis
commented out FlexArray interface
skip bounds check in SparseSymProd inside closure
prevent calling generic_matmul! in rrule of LinearLayer

cc @DexuanZhou

@cortner : will let you know once it is ready.

cortner commented 11 months ago

@CheukHinHoJerry -- the only change since we discussed it is the flag for whether or not to release? I.e. I should just go ahead and merge this?

CheukHinHoJerry commented 11 months ago

@CheukHinHoJerry -- the only change since we discussed it is the flag for whether or not to release? I.e. I should just go ahead and merge this?

Yes - I think this is the only thing. And we talked about moving AtomicorbitalRadius and wf related stuffs out of this package but I think it should not be done in this PR anyways.