281 citations · 382 across the 4 of their papers we have counts for
4 papers
Structure-based Drug Design with Equivariant Diffusion Models
Arne Schneuing, Charles Harris, Yuanqi Du +10
Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods lev…
Adversarial Defense via Image Denoising with Chaotic Encryption
Shi Hu, Eric Nalisnick, Max Welling
In the literature on adversarial examples, white box and black box attacks have received the most attention. The adversary is assumed to have either full (white) or no (black) acce…
Learning to Predict Error for MRI Reconstruction
Shi Hu, Nicola Pezzotti, Max Welling
In healthcare applications, predictive uncertainty has been used to assess predictive accuracy. In this paper, we demonstrate that predictive uncertainty estimated by the current m…
Causal Effect Inference with Deep Latent-Variable Models
Christos Louizos, Uri Shalit, Joris Mooij +3
Learning individual-level causal effects from observational data, such as inferring the most effective medication for a specific patient, is a problem of growing importance for pol…