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A multivariate distribution can be described by a triangular transport map from the target distribution to a simple reference distribution. We propose Bayesian nonparametric inference on the transport map by modeling its components using Gaussian processes. This enables regularization and uncertainty quantification of the map estimation, while still resulting in a closed-form and invertible posterior map. We then focus on inferring the distribution of a nonstationary spatial field from a small number of replicates. We develop specific transport-map priors that are highly flexible and are motivated by the behavior of a large class of stochastic processes. Our approach is scalable to high-dimensional distributions due to data-dependent sparsity and parallel computations. We also discuss extensions, including Dirichlet process mixtures for flexible marginals. We present numerical results to demonstrate the accuracy, scalability, and usefulness of our methods, including statistical emulation of non-Gaussian climate-model output., Comment: code available at https://github.com/katzfuss-group/BaTraMaSpa

Bayesian optimization is a technique for optimizing black-box target functions. At the core of Bayesian optimization is a surrogate model that predicts the output of the target function at previously unseen inputs to facilitate the selection of promising input values. Gaussian processes (GPs) are commonly used as surrogate models but are known to scale poorly with the number of observations. We adapt the Vecchia approximation, a popular GP approximation from spatial statistics, to enable scalable high-dimensional Bayesian optimization. We develop several improvements and extensions, including training warped GPs using mini-batch gradient descent, approximate neighbor search, and selecting multiple input values in parallel. We focus on the use of our warped Vecchia GP in trust-region Bayesian optimization via Thompson sampling. On several test functions and on two reinforcement-learning problems, our methods compared favorably to the state of the art.

Earth-observing satellite instruments obtain a massive number of observations every day. For example, tens of millions of sea surface temperature (SST) observations on a global scale are collected daily by the Moderate Resolution Imaging Spectroradiometer (MODIS) instrument. Despite their size, such datasets are incomplete and noisy, necessitating spatial statistical inference to obtain complete, high-resolution fields with quantified uncertainties. Such inference is challenging due to the high computational cost, the nonstationary behavior of environmental processes on a global scale, and land barriers affecting the dependence of SST. In this work, we develop a multi-resolution approximation (M-RA) of a Gaussian process (GP) whose nonstationary, global covariance function is obtained using local fits. The M-RA requires domain partitioning, which can be set up application-specifically. In the SST case, we partition the domain purposefully to account for and weaken dependence across land barriers. Our M-RA implementation is tailored to distributed-memory computation in high-performance-computing environments. We analyze a MODIS SST dataset consisting of more than 43 million observations, to our knowledge the largest dataset ever analyzed using a probabilistic GP model. We show that our nonstationary model based on local fits provides substantially improved predictive performance relative to a stationary approach.

The Gaussian process is an indispensable tool for spatial data analysts. The onset of the "big data" era, however, has lead to the traditional Gaussian process being computationally infeasible for modern spatial data. As such, various alternatives to the full Gaussian process that are more amenable to handling big spatial data have been proposed. These modern methods often exploit low rank structures and/or multi-core and multi-threaded computing environments to facilitate computation. This study provides, first, an introductory overview of several methods for analyzing large spatial data. Second, this study describes the results of a predictive competition among the described methods as implemented by different groups with strong expertise in the methodology. Specifically, each research group was provided with two training datasets (one simulated and one observed) along with a set of prediction locations. Each group then wrote their own implementation of their method to produce predictions at the given location and each which was subsequently run on a common computing environment. The methods were then compared in terms of various predictive diagnostics. Supplementary materials regarding implementation details of the methods and code are available for this article online.

With the proliferation of modern high-resolution measuring instruments mounted on satellites, planes, ground-based vehicles and monitoring stations, a need has arisen for statistical methods suitable for the analysis of large spatial datasets observed on large spatial domains. Statistical analyses of such datasets provide two main challenges: First, traditional spatial-statistical techniques are often unable to handle large numbers of observations in a computationally feasible way. Second, for large and heterogeneous spatial domains, it is often not appropriate to assume that a process of interest is stationary over the entire domain. We address the first challenge by using a model combining a low-rank component, which allows for flexible modeling of medium-to-long-range dependence via a set of spatial basis functions, with a tapered remainder component, which allows for modeling of local dependence using a compactly supported covariance function. Addressing the second challenge, we propose two extensions to this model that result in increased flexibility: First, the model is parameterized based on a nonstationary Matern covariance, where the parameters vary smoothly across space. Second, in our fully Bayesian model, all components and parameters are considered random, including the number, locations, and shapes of the basis functions used in the low-rank component. Using simulated data and a real-world dataset of high-resolution soil measurements, we show that both extensions can result in substantial improvements over the current state-of-the-art., Comment: 16 pages, 2 color figures