activity
20192022
most citedUncertainty quantification of molecular property prediction with Bayesian neural networks

15 citations · 33 across the 4 of their papers we have counts for

collaborators

5 papers

stat.ML2020

Efficient computation and analysis of distributional Shapley values

Yongchan Kwon, Manuel A. Rivas, James Zou

Distributional data Shapley value (DShapley) has recently been proposed as a principled framework to quantify the contribution of individual datum in machine learning. DShapley dev…

stat.ML20201 cited

Principled learning method for Wasserstein distributionally robust optimization with local perturbations

Yongchan Kwon, Wonyoung Kim, Joong-Ho Won +1

Wasserstein distributionally robust optimization (WDRO) attempts to learn a model that minimizes the local worst-case risk in the vicinity of the empirical data distribution define…

physics.chem-ph20192 cited

Uncertainty quantification of molecular property prediction using Bayesian neural network models

Seongok Ryu, Yongchan Kwon, Woo Youn Kim

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning c…

cs.LG201915 cited

Uncertainty quantification of molecular property prediction with Bayesian neural networks

Seongok Ryu, Yongchan Kwon, Woo Youn Kim

Deep neural networks have outperformed existing machine learning models in various molecular applications. In practical applications, it is still difficult to make confident decisi…

stat.ML2019

Principled analytic classifier for positive-unlabeled learning via weighted integral probability metric

Yongchan Kwon, Wonyoung Kim, Masashi Sugiyama +1

We consider the problem of learning a binary classifier from only positive and unlabeled observations (called PU learning). Recent studies in PU learning have shown superior perfor…