Know Your Boundaries: Constraining Gaussian Processes by Variational Harmonic Features

Gaussian processes (GPs) provide a powerful framework for extrapolation, interpolation, and noise removal in regression and classification. This paper considers constraining GPs to arbitrarily-shaped domains with boundary conditions. We solve a Fourier-like generalised harmonic feature representation of the GP prior in the domain of interest, which both constrains the GP and attains a low-rank representation that is used for speeding up inference. The method scales as $\mathcal{O}(nm^2)$ in prediction and $\mathcal{O}(m^3)$ in hyperparameter learning for regression, where $n$ is the number of data points and $m$ the number of features. Furthermore, we make use of the variational approach to allow the method to deal with non-Gaussian likelihoods. The experiments cover both simulated and empirical data in which the boundary conditions allow for inclusion of additional physical information.Comment: Appearing in Proceedings of AISTATS 201

Large-Scale Cox Process Inference using Variational Fourier Features

Gaussian process modulated Poisson processes provide a flexible framework for modelling spatiotemporal point patterns. So far this had been restricted to one dimension, binning to a pre-determined grid, or small data sets of up to a few thousand data points. Here we introduce Cox process inference based on Fourier features. This sparse representation induces global rather than local constraints on the function space and is computationally efficient. This allows us to formulate a grid-free approximation that scales well with the number of data points and the size of the domain. We demonstrate that this allows MCMC approximations to the non-Gaussian posterior. We also find that, in practice, Fourier features have more consistent optimization behavior than previous approaches. Our approximate Bayesian method can fit over 100,000 events with complex spatiotemporal patterns in three dimensions on a single GPU

Remote Sensing Image Classification with Large Scale Gaussian Processes

Current remote sensing image classification problems have to deal with an unprecedented amount of heterogeneous and complex data sources. Upcoming missions will soon provide large data streams that will make land cover/use classification difficult. Machine learning classifiers can help at this, and many methods are currently available. A popular kernel classifier is the Gaussian process classifier (GPC), since it approaches the classification problem with a solid probabilistic treatment, thus yielding confidence intervals for the predictions as well as very competitive results to state-of-the-art neural networks and support vector machines. However, its computational cost is prohibitive for large scale applications, and constitutes the main obstacle precluding wide adoption. This paper tackles this problem by introducing two novel efficient methodologies for Gaussian Process (GP) classification. We first include the standard random Fourier features approximation into GPC, which largely decreases its computational cost and permits large scale remote sensing image classification. In addition, we propose a model which avoids randomly sampling a number of Fourier frequencies, and alternatively learns the optimal ones within a variational Bayes approach. The performance of the proposed methods is illustrated in complex problems of cloud detection from multispectral imagery and infrared sounding data. Excellent empirical results support the proposal in both computational cost and accuracy.Comment: 11 pages, 6 figures, Accepted for publication in IEEE Transactions on Geoscience and Remote Sensing; added the IEEE copyright statemen

Walsh-Hadamard Variational Inference for Bayesian Deep Learning

Over-parameterized models, such as DeepNets and ConvNets, form a class of models that are routinely adopted in a wide variety of applications, and for which Bayesian inference is desirable but extremely challenging. Variational inference offers the tools to tackle this challenge in a scalable way and with some degree of flexibility on the approximation, but for over-parameterized models this is challenging due to the over-regularization property of the variational objective. Inspired by the literature on kernel methods, and in particular on structured approximations of distributions of random matrices, this paper proposes Walsh-Hadamard Variational Inference (WHVI), which uses Walsh-Hadamard-based factorization strategies to reduce the parameterization and accelerate computations, thus avoiding over-regularization issues with the variational objective. Extensive theoretical and empirical analyses demonstrate that WHVI yields considerable speedups and model reductions compared to other techniques to carry out approximate inference for over-parameterized models, and ultimately show how advances in kernel methods can be translated into advances in approximate Bayesian inference

Sparse Gaussian Processes with Spherical Harmonic Features

We introduce a new class of inter-domain variational Gaussian processes (GP) where data is mapped onto the unit hypersphere in order to use spherical harmonic representations. Our inference scheme is comparable to variational Fourier features, but it does not suffer from the curse of dimensionality, and leads to diagonal covariance matrices between inducing variables. This enables a speed-up in inference, because it bypasses the need to invert large covariance matrices. Our experiments show that our model is able to fit a regression model for a dataset with 6 million entries two orders of magnitude faster compared to standard sparse GPs, while retaining state of the art accuracy. We also demonstrate competitive performance on classification with non-conjugate likelihoods.Comment: International Conference on Machine, PMLR 119, 202

Scalable Training of Inference Networks for Gaussian-Process Models

Inference in Gaussian process (GP) models is computationally challenging for large data, and often difficult to approximate with a small number of inducing points. We explore an alternative approximation that employs stochastic inference networks for a flexible inference. Unfortunately, for such networks, minibatch training is difficult to be able to learn meaningful correlations over function outputs for a large dataset. We propose an algorithm that enables such training by tracking a stochastic, functional mirror-descent algorithm. At each iteration, this only requires considering a finite number of input locations, resulting in a scalable and easy-to-implement algorithm. Empirical results show comparable and, sometimes, superior performance to existing sparse variational GP methods.Comment: ICML 2019. Update results added in the camera-ready versio

Variational description of statistical field theories using Daubechies' wavelets

We investigate the description of statistical field theories using Daubechies' orthonormal compact wavelets on a lattice. A simple variational approach is used to extend mean field theory and make predictions for the fluctuation strengths of wavelet coefficients and thus for the correlation function. The results are compared to Monte Carlo simulations. We find that wavelets provide a reasonable description of critical phenomena with only a small number of variational parameters. This lets us hope for an implementation of the renormalization group in wavelet space.Comment: 21pp, LaTeX with Postscript figure

Scaling up the Automatic Statistician: Scalable Structure Discovery using Gaussian Processes

Automating statistical modelling is a challenging problem in artificial intelligence. The Automatic Statistician takes a first step in this direction, by employing a kernel search algorithm with Gaussian Processes (GP) to provide interpretable statistical models for regression problems. However this does not scale due to its $O(N^3)$ running time for the model selection. We propose Scalable Kernel Composition (SKC), a scalable kernel search algorithm that extends the Automatic Statistician to bigger data sets. In doing so, we derive a cheap upper bound on the GP marginal likelihood that sandwiches the marginal likelihood with the variational lower bound . We show that the upper bound is significantly tighter than the lower bound and thus useful for model selection.Comment: AISTATS 2018 (oral

Constant-Time Predictive Distributions for Gaussian Processes

One of the most compelling features of Gaussian process (GP) regression is its ability to provide well-calibrated posterior distributions. Recent advances in inducing point methods have sped up GP marginal likelihood and posterior mean computations, leaving posterior covariance estimation and sampling as the remaining computational bottlenecks. In this paper we address these shortcomings by using the Lanczos algorithm to rapidly approximate the predictive covariance matrix. Our approach, which we refer to as LOVE (LanczOs Variance Estimates), substantially improves time and space complexity. In our experiments, LOVE computes covariances up to 2,000 times faster and draws samples 18,000 times faster than existing methods, all without sacrificing accuracy.Comment: ICML 201

Efficient Learning of Harmonic Priors for Pitch Detection in Polyphonic Music

Automatic music transcription (AMT) aims to infer a latent symbolic representation of a piece of music (piano-roll), given a corresponding observed audio recording. Transcribing polyphonic music (when multiple notes are played simultaneously) is a challenging problem, due to highly structured overlapping between harmonics. We study whether the introduction of physically inspired Gaussian process (GP) priors into audio content analysis models improves the extraction of patterns required for AMT. Audio signals are described as a linear combination of sources. Each source is decomposed into the product of an amplitude-envelope, and a quasi-periodic component process. We introduce the Mat\'ern spectral mixture (MSM) kernel for describing frequency content of singles notes. We consider two different regression approaches. In the sigmoid model every pitch-activation is independently non-linear transformed. In the softmax model several activation GPs are jointly non-linearly transformed. This introduce cross-correlation between activations. We use variational Bayes for approximate inference. We empirically evaluate how these models work in practice transcribing polyphonic music. We demonstrate that rather than encourage dependency between activations, what is relevant for improving pitch detection is to learnt priors that fit the frequency content of the sound events to detect.Comment: Updated version with appendix section about derivation of amplitude modulated G