activity
20182022
most citedBayesian semi-supervised learning for uncertainty-calibrated prediction of molecular properties and active learning

165 citations · 318 across the 13 of their papers we have counts for

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Showing cs.LGShow all

8 papers · 1 filter

cs.LG2021★ 11 cited

MIRACLE: Causally-Aware Imputation via Learning Missing Data Mechanisms

Trent Kyono, Yao Zhang, Alexis Bellot +1

Missing data is an important problem in machine learning practice. Starting from the premise that imputation methods should preserve the causal structure of the data, we develop a…

cs.LG2021

Identifiable Energy-based Representations: An Application to Estimating Heterogeneous Causal Effects

Yao Zhang, Jeroen Berrevoets, Mihaela van der Schaar

Conditional average treatment effects (CATEs) allow us to understand the effect heterogeneity across a large population of individuals. However, typical CATE learners assume all co…

cs.LG2020★ 11 cited

Learning outside the Black-Box: The pursuit of interpretable models

Jonathan Crabbé, Yao Zhang, William Zame +1

Machine Learning has proved its ability to produce accurate models but the deployment of these models outside the machine learning community has been hindered by the difficulties o…

cs.LG2020★ 27 cited

CASTLE: Regularization via Auxiliary Causal Graph Discovery

Trent Kyono, Yao Zhang, Mihaela van der Schaar

Regularization improves generalization of supervised models to out-of-sample data. Prior works have shown that prediction in the causal direction (effect from cause) results in low…

cs.LG2020★ 1 cited

AutoCP: Automated Pipelines for Accurate Prediction Intervals

Yao Zhang, William Zame, Mihaela van der Schaar

Successful application of machine learning models to real-world prediction problems, e.g. financial forecasting and personalized medicine, has proved to be challenging, because suc…

cs.LG2020★ 3 cited

Stepwise Model Selection for Sequence Prediction via Deep Kernel Learning

Yao Zhang, Daniel Jarrett, Mihaela van der Schaar

An essential problem in automated machine learning (AutoML) is that of model selection. A unique challenge in the sequential setting is the fact that the optimal model itself may v…

cs.LG2019★ 165 cited

Bayesian semi-supervised learning for uncertainty-calibrated prediction of molecular properties and active learning

Yao Zhang, Alpha A. Lee

Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus…

cs.LG2018★ 56 cited

Energy-entropy competition and the effectiveness of stochastic gradient descent in machine learning

Yao Zhang, Andrew M. Saxe, Madhu S. Advani +1

Finding parameters that minimise a loss function is at the core of many machine learning methods. The Stochastic Gradient Descent algorithm is widely used and delivers state of the…