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Register a new userEfficiently Sampling Functions from Gaussian Process Posteriors
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Gaussian processes are the gold standard for many real-world modeling problems, especially in cases where a models success hinges upon its ability to faithfully represent predictive uncertainty. These problems typically exist as parts of larger frameworks, wherein quantities of interest are ultimately defined by integrating over posterior distributions. These quantities are frequently intractable, motivating the use of Monte Carlo methods. Despite substantial progress in scaling up Gaussian processes to large training sets, methods for accurately generating draws from their posterior distributions still scale cubically in the number of test locations. We identify a decomposition of Gaussian processes that naturally lends itself to scalable sampling by separating out the prior from the data. Building off of this factorization, we propose an easy-to-use and general-purpose approach for fast posterior sampling, which seamlessly pairs with sparse approximations to afford scalability both during training and at test time. In a series of experiments designed to test competing sampling schemes statistical properties and practical ramifications, we demonstrate how decoupled sample paths accurately represent Gaussian process posteriors at a fraction of the usual cost.
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Gaussian process (GP) predictors are an important component of many Bayesian approaches to machine learning. However, even a straightforward implementation of Gaussian process regression (GPR) requires O(n^2) space and O(n^3) time for a dataset of n examples. Several approximation methods have been proposed, but there is a lack of understanding of the relative merits of the different approximations, and in what situations they are most useful. We recommend assessing the quality of the predictions obtained as a function of the compute time taken, and comparing to standard baselines (e.g., Subset of Data and FITC). We empirically investigate four different approximation algorithms on four different prediction problems, and make our code available to encourage future comparisons.
This article investigates the origin of numerical issues in maximum likelihood parameter estimation for Gaussian process (GP) interpolation and investigates simple but effective strategies for improving commonly used open-source software implementations. This work targets a basic problem but a host of studies, particularly in the literature of Bayesian optimization, rely on off-the-shelf GP implementations. For the conclusions of these studies to be reliable and reproducible, robust GP implementations are critical.
Ordinary differential equations (ODEs), commonly used to characterize the dynamic systems, are difficult to propose in closed-form for many complicated scientific applications, even with the help of domain expert. We propose a fast and accurate data-driven method, MAGI-X, to learn the unknown dynamic from the observation data in a non-parametric fashion, without the need of any domain knowledge. Unlike the existing methods that mainly rely on the costly numerical integration, MAGI-X utilizes the powerful functional approximator of neural network to learn the unknown nonlinear dynamic within the MAnifold-constrained Gaussian process Inference (MAGI) framework that completely circumvents the numerical integration. Comparing against the state-of-the-art methods on three realistic examples, MAGI-X achieves competitive accuracy in both fitting and forecasting while only taking a fraction of computational time. Moreover, MAGI-X provides practical solution for the inference of partial observed systems, which no previous method is able to handle.
We propose a new framework for imposing monotonicity constraints in a Bayesian nonparametric setting based on numerical solutions of stochastic differential equations. We derive a nonparametric model of monotonic functions that allows for interpretable priors and principled quantification of hierarchical uncertainty. We demonstrate the efficacy of the proposed model by providing competitive results to other probabilistic monotonic models on a number of benchmark functions. In addition, we consider the utility of a monotonic random process as a part of a hierarchical probabilistic model; we examine the task of temporal alignment of time-series data where it is beneficial to use a monotonic random process in order to preserve the uncertainty in the temporal warpings.
We introduce Latent Gaussian Process Regression which is a latent variable extension allowing modelling of non-stationary multi-modal processes using GPs. The approach is built on extending the input space of a regression problem with a latent variable that is used to modulate the covariance function over the training data. We show how our approach can be used to model multi-modal and non-stationary processes. We exemplify the approach on a set of synthetic data and provide results on real data from motion capture and geostatistics.
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