65 citations · 196 across the 12 of their papers we have counts for
3 papers · 1 filter
Inchworm quasi Monte Carlo for quantum impurities
Hugo U. R. Strand, Joseph Kleinhenz, Igor Krivenko
The inchworm expansion is a promising approach to solving strongly correlated quantum impurity models due to its reduction of the sign problem in real and imaginary time. However,…
Protein Discovery with Discrete Walk-Jump Sampling
Nathan C. Frey, Daniel Berenberg, Karina Zadorozhny +10
We resolve difficulties in training and sampling from a discrete generative model by learning a smoothed energy function, sampling from the smoothed data manifold with Langevin Mar…
3D molecule generation by denoising voxel grids
Pedro O. Pinheiro, Joshua Rackers, Joseph Kleinhenz +6
We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from…