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

collaborators

13 papers

cs.CV2022★ 2 cited

Graph Attention Transformer Network for Multi-Label Image Classification

Jin Yuan, Shikai Chen, Yao Zhang +4

Multi-label classification aims to recognize multiple objects or attributes from images. However, it is challenging to learn from proper label graphs to effectively characterize su…

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.DC2020

Woodpecker-DL: Accelerating Deep Neural Networks via Hardware-Aware Multifaceted Optimizations

Yongchao Liu, Yue Jin, Yong Chen +4

Accelerating deep model training and inference is crucial in practice. Existing deep learning frameworks usually concentrate on optimizing training speed and pay fewer attentions t…

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…

stat.ML2020★ 8 cited

Robust Recursive Partitioning for Heterogeneous Treatment Effects with Uncertainty Quantification

Hyun-Suk Lee, Yao Zhang, William Zame +3

Subgroup analysis of treatment effects plays an important role in applications from medicine to public policy to recommender systems. It allows physicians (for example) to identify…

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…

stat.ML2019★ 6 cited

Lifelong Bayesian Optimization

Yao Zhang, James Jordon, Ahmed M. Alaa +1

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Baye…

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…

cond-mat.dis-nn2018★ 28 cited

Geometry of energy landscapes and the optimizability of deep neural networks

Simon Becker, Yao Zhang, Alpha A. Lee

Deep neural networks are workhorse models in machine learning with multiple layers of non-linear functions composed in series. Their loss function is highly non-convex, yet empiric…

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…