most citedGeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

182 citations · 270 across the 5 of their papers we have counts for

collaborators

5 papers

cs.LG2022182 cited

GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

Minkai Xu, Lantao Yu, Yang Song +3

Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machi…

cs.LG20216 cited

Estimating High Order Gradients of the Data Distribution by Denoising

Chenlin Meng, Yang Song, Wenzhe Li +1

The first order derivative of a data density can be estimated efficiently by denoising score matching, and has become an important component in many applications, such as image gen…

cs.LG20212 cited

Pseudo-Spherical Contrastive Divergence

Lantao Yu, Jiaming Song, Yang Song +1

Energy-based models (EBMs) offer flexible distribution parametrization. However, due to the intractable partition function, they are typically trained via contrastive divergence fo…

cs.LG202174 cited

CSDI: Conditional Score-based Diffusion Models for Probabilistic Time Series Imputation

Yusuke Tashiro, Jiaming Song, Yang Song +1

The imputation of missing values in time series has many applications in healthcare and finance. While autoregressive models are natural candidates for time series imputation, scor…

cs.LG20216 cited

Anytime Sampling for Autoregressive Models via Ordered Autoencoding

Yilun Xu, Yang Song, Sahaj Garg +4

Autoregressive models are widely used for tasks such as image and audio generation. The sampling process of these models, however, does not allow interruptions and cannot adapt to…