Preconditioning Kernel Matrices

The computational and storage complexity of kernel machines presents the primary barrier to their scaling to large, modern, datasets. A common way to tackle the scalability issue is to use the conjugate gradient algorithm, which relieves the constraints on both storage (the kernel matrix need not be stored) and computation (both stochastic gradients and parallelization can be used). Even so, conjugate gradient is not without its own issues: the conditioning of kernel matrices is often such that conjugate gradients will have poor convergence in practice. Preconditioning is a common approach to alleviating this issue. Here we propose preconditioned conjugate gradients for kernel machines, and develop a broad range of preconditioners particularly useful for kernel matrices. We describe a scalable approach to both solving kernel machines and learning their hyperparameters. We show this approach is exact in the limit of iterations and outperforms state-of-the-art approximations for a given computational budget

Large-scale Heteroscedastic Regression via Gaussian Process

Heteroscedastic regression considering the varying noises among observations has many applications in the fields like machine learning and statistics. Here we focus on the heteroscedastic Gaussian process (HGP) regression which integrates the latent function and the noise function together in a unified non-parametric Bayesian framework. Though showing remarkable performance, HGP suffers from the cubic time complexity, which strictly limits its application to big data. To improve the scalability, we first develop a variational sparse inference algorithm, named VSHGP, to handle large-scale datasets. Furthermore, two variants are developed to improve the scalability and capability of VSHGP. The first is stochastic VSHGP (SVSHGP) which derives a factorized evidence lower bound, thus enhancing efficient stochastic variational inference. The second is distributed VSHGP (DVSHGP) which (i) follows the Bayesian committee machine formalism to distribute computations over multiple local VSHGP experts with many inducing points; and (ii) adopts hybrid parameters for experts to guard against over-fitting and capture local variety. The superiority of DVSHGP and SVSHGP as compared to existing scalable heteroscedastic/homoscedastic GPs is then extensively verified on various datasets.Comment: 14 pages, 15 figure

Monte Carlo Implementation of Gaussian Process Models for Bayesian Regression and Classification

Gaussian processes are a natural way of defining prior distributions over functions of one or more input variables. In a simple nonparametric regression problem, where such a function gives the mean of a Gaussian distribution for an observed response, a Gaussian process model can easily be implemented using matrix computations that are feasible for datasets of up to about a thousand cases. Hyperparameters that define the covariance function of the Gaussian process can be sampled using Markov chain methods. Regression models where the noise has a t distribution and logistic or probit models for classification applications can be implemented by sampling as well for latent values underlying the observations. Software is now available that implements these methods using covariance functions with hierarchical parameterizations. Models defined in this way can discover high-level properties of the data, such as which inputs are relevant to predicting the response

Distributed Gaussian Processes

To scale Gaussian processes (GPs) to large data sets we introduce the robust Bayesian Committee Machine (rBCM), a practical and scalable product-of-experts model for large-scale distributed GP regression. Unlike state-of-the-art sparse GP approximations, the rBCM is conceptually simple and does not rely on inducing or variational parameters. The key idea is to recursively distribute computations to independent computational units and, subsequently, recombine them to form an overall result. Efficient closed-form inference allows for straightforward parallelisation and distributed computations with a small memory footprint. The rBCM is independent of the computational graph and can be used on heterogeneous computing infrastructures, ranging from laptops to clusters. With sufficient computing resources our distributed GP model can handle arbitrarily large data sets.Comment: 10 pages, 5 figures. Appears in Proceedings of ICML 201