Multiple Imputation with Neural Network Gaussian Process for High-dimensional Incomplete Data

Missing data are ubiquitous in real world applications and, if not adequately handled, may lead to the loss of information and biased findings in downstream analysis. Particularly, high-dimensional incomplete data with a moderate sample size, such as analysis of multi-omics data, present daunting challenges. Imputation is arguably the most popular method for handling missing data, though existing imputation methods have a number of limitations. Single imputation methods such as matrix completion methods do not adequately account for imputation uncertainty and hence would yield improper statistical inference. In contrast, multiple imputation (MI) methods allow for proper inference but existing methods do not perform well in high-dimensional settings. Our work aims to address these significant methodological gaps, leveraging recent advances in neural network Gaussian process (NNGP) from a Bayesian viewpoint. We propose two NNGP-based MI methods, namely MI-NNGP, that can apply multiple imputations for missing values from a joint (posterior predictive) distribution. The MI-NNGP methods are shown to significantly outperform existing state-of-the-art methods on synthetic and real datasets, in terms of imputation error, statistical inference, robustness to missing rates, and computation costs, under three missing data mechanisms, MCAR, MAR, and MNAR. Code is available in the GitHub repository https://github.com/bestadcarry/MI-NNGP.