added batched string kernel and example notebook

leojklarner / gauche

A Library for Gaussian Processes in Chemistry

https://leojklarner.github.io/gauche/

MIT License

213 stars 22 forks source link

added batched string kernel and example notebook #47

Closed aryandeshwal closed 1 year ago

aryandeshwal commented 1 year ago

This PR adds the subsequence string kernel (Ref 1 Ref 2 Ref 3) implemented in GpyTorch. It is batch-vectorized and GPU-compatible and follows Henry's Tensorflow implementation from here. I tested it on the Photoswitch dataset in the example notebook. Thank you!

Ryan-Rhys commented 1 year ago

Looks great! Fantastic stuff! Happy to merge after nits.