ACEsuit/Polynomials4ML.jl

Polynomials for ML: fast evaluation, batching, differentiation

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Polynomials4ML.jl

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This package implements a few polynomial basis types, and convenience methods for evaluation and derivatives, fast batched evaluation, for building small and fast ML type models. Layers currently implemented include:

  • Various orthogonal polynomials via 3-point recursion
  • Trigonometric polynomials
  • Complex and real spherical and solid harmonics
  • A few quantum chemistry (atomic orbitals) basis sets
  • Interpolate a basis onto splines
  • Utilities to recombine them into (tensor) product or compressed basis sets

We also aim to provide full Lux.jl integration. A possible application of this might be to implement various flavours of equivariant neural networks and related models.

Contributors

cortnerCheukHinHoJerryDexuanZhouzhanglw0521tjjarvinendhan-02beaman33vai-bhav-m

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