Pre-training via Denoising for Molecular Property Prediction.
Sheheryar ZaidiMichael SchaarschmidtJames MartensHyunjik KimYee Whye TehAlvaro Sanchez-GonzalezPeter W. BattagliaRazvan PascanuJonathan GodwinPublished in: CoRR (2022)
Keyphrases
- denoising
- image denoising
- prediction accuracy
- noisy images
- image processing
- training process
- total variation
- prediction error
- training examples
- multi layer perceptron
- training algorithm
- radial basis function network
- wavelet domain
- drug design
- test set
- natural images
- online learning
- object recognition
- denoising algorithm
- prediction algorithm
- molecular structures
- training phase
- prediction model
- training set
- feature space
- multiscale