1.5k citations · 1.7k across the 19 of their papers we have counts for
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Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics
Payel Das, Tom Sercu, Kahini Wadhawan +12
De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints, e.g., high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled La…
Sobolev Independence Criterion
Youssef Mroueh, Tom Sercu, Mattia Rigotti +2
We propose the Sobolev Independence Criterion (SIC), an interpretable dependency measure between a high dimensional random variable X and a response variable Y . SIC decomposes to…
Wasserstein Barycenter Model Ensembling
Pierre Dognin, Igor Melnyk, Youssef Mroueh +3
In this paper we propose to perform model ensembling in a multiclass or a multilabel learning setting using Wasserstein (W.) barycenters. Optimal transport metrics, such as the Was…
Learning Loss Functions for Semi-supervised Learning via Discriminative Adversarial Networks
Cicero Nogueira dos Santos, Kahini Wadhawan, Bowen Zhou
We propose discriminative adversarial networks (DAN) for semi-supervised learning and loss function learning. Our DAN approach builds upon generative adversarial networks (GANs) an…