H. Moss comments

Repositories
Issues
Comments

Results 2 comments of


                                            H. Moss

2-stage acquisition optimization support

These three consider multi-fidelity extensions of UCB that rely on a two-stage acquisition function: - https://arxiv.org/pdf/1703.06240.pdf - https://arxiv.org/pdf/1603.06288.pdf - https://arxiv.org/pdf/1811.00755.pdf Also the FASTCV example of https://papers.nips.cc/paper/5086-multi-task-bayesian-optimization.pdf has 2-stage acquisition function.

String kernels can exploit biases in SMILES string format, skewing performance metrics

This is interesting indeed! I wonder if this aligns with the observed lack of improvements we were getting when augmenting the data by adding extra (non-canonical) SMILES. Basically, we could...