1 citations · 2 across the 2 of their papers we have counts for
2 papers
cs.LG2022★ 1 cited
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning
Austin Atsango, Nathaniel L. Diamant, Ziqing Lu +3
Molecular shape and geometry dictate key biophysical recognition processes, yet many graph neural networks disregard 3D information for molecular property prediction. Here, we prop…
cs.LG2022★ 1 cited
Conditional Diffusion with Less Explicit Guidance via Model Predictive Control
Max W. Shen, Ehsan Hajiramezanali, Gabriele Scalia +4
How much explicit guidance is necessary for conditional diffusion? We consider the problem of conditional sampling using an unconditional diffusion model and limited explicit guida…