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20202024
most citedSample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining

37 citations · 112 across the 12 of their papers we have counts for

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Showing 2022Show all

2 papers · 1 filter

physics.chem-ph2022★ 34 cited

GAUCHE: A Library for Gaussian Processes in Chemistry

Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss +24

We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantag…

cs.LG2022★ 9 cited

Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction

Wenlin Chen, Austin Tripp, José Miguel Hernández-Lobato

We propose Adaptive Deep Kernel Fitting with Implicit Function Theorem (ADKF-IFT), a novel framework for learning deep kernel Gaussian processes (GPs) by interpolating between meta…