Gaussian processes are distributions over functions that are versatile and mathematically convenient priors in Bayesian modelling. However, their use is often impeded for data with large numbers of observations, $N$, due to the cubic (in $N$) cost of matrix operations used in exact inference. Many solutions have been proposed that rely on $M \ll N$ inducing variables to form an approximation at a cost of $\mathcal{O}(NM^2)$. While the computational cost appears linear in $N$, the true complexity depends on how $M$ must scale with $N$ to ensure a certain quality of the approximation. In this work, we investigate upper and lower bounds on how $M$ needs to grow with $N$ to ensure high quality approximations. We show that we can make the KL-divergence between the approximate model and the exact posterior arbitrarily small for a Gaussian-noise regression model with $M\ll N$. Specifically, for the popular squared exponential kernel and $D$-dimensional Gaussian distributed covariates, $M=\mathcal{O}((\log N)^D)$ suffice and a method with an overall computational cost of $\mathcal{O}(N(\log N)^{2D}(\log\log N)^2)$ can be used to perform inference.
University of Sheffield（谢菲尔德大学）；Department of Computer Science（计算机科学系）；Sheffield, UK（英国谢菲尔德）
This paper introduces a method to approximate Gaussian process regression by representing the problem as a stochastic differential equation and using variational inference to approximate solutions. The approximations are compared with full GP regression and generated paths are demonstrated to be indistinguishable from GP samples. We show that the approach extends easily to non-linear dynamics and discuss extensions to which the approach can be easily applied.
University of Utah（犹他大学）；School of Computing（计算学院）；Scientific Computing and Imaging Institute（科学计算与成像研究所）
Gaussian process regression networks (GPRN) are powerful Bayesian models for multi-output regression, but their inference is intractable. To address this issue, existing methods use a fully factorized structure (or a mixture of such structures) over all the outputs and latent functions for posterior approximation, which, however, can miss the strong posterior dependencies among the latent variables and hurt the inference quality. In addition, the updates of the variational parameters are inefficient and can be prohibitively expensive for a large number of outputs. To overcome these limitations…
Generalized additive models (GAMs) are a widely used class of models of interest to statisticians as they provide a flexible way to design interpretable models of data beyond linear models. We here propose a scalable and well-calibrated Bayesian treatment of GAMs using Gaussian processes (GPs) and leveraging recent advances in variational inference. We use sparse GPs to represent each component and exploit the additive structure of the model to efficiently represent a Gaussian a posteriori coupling between the components.
University of Stuttgart（斯图加特大学）；ETAS GmbH（ETAS有限公司）
Modeling sequential data has become more and more important in practice. Some applications are autonomous driving, virtual sensors and weather forecasting. To model such systems, so called recurrent models are frequently used. In this paper we introduce several new Deep recurrent Gaussian process (DRGP) models based on the Sparse Spectrum Gaussian process (SSGP) and the improved version, called variational Sparse Spectrum Gaussian process (VSSGP). We follow the recurrent structure given by an existing DRGP based on a specific variational sparse Nyström approximation, the recurrent Gaussian pro…
National University of Singapore（新加坡国立大学）；MIT-IBM Watson AI Lab（麻省理工学院-IBM沃森人工智能实验室）；MIT（麻省理工学院）
This paper presents a novel variational inference framework for deriving a family of Bayesian sparse Gaussian process regression (SGPR) models whose approximations are variationally optimal with respect to the full-rank GPR model enriched with various corresponding correlation structures of the observation noises. Our variational Bayesian SGPR (VBSGPR) models jointly treat both the distributions of the inducing variables and hyperparameters as variational parameters, which enables the decomposability of the variational lower bound that in turn can be exploited for stochastic optimization. Such…
While unsupervised variational autoencoders (VAE) have become a powerful tool in neuroimage analysis, their application to supervised learning is under-explored. We aim to close this gap by proposing a unified probabilistic model for learning the latent space of imaging data and performing supervised regression. Based on recent advances in learning disentangled representations, the novel generative process explicitly models the conditional distribution of latent representations with respect to the regression target variable. Performing a variational inference procedure on this model leads to j…
Indian Institute of Technology Hyderabad（印度理工学院海得拉巴分校）；RIKEN Center for AI Project（理化学研究所人工智能项目中心）
Deep Gaussian Processes (DGPs) are multi-layer, flexible extensions of Gaussian processes but their training remains challenging. Sparse approximations simplify the training but often require optimization over a large number of inducing inputs and their locations across layers. In this paper, we simplify the training by setting the locations to a fixed subset of data and sampling the inducing inputs from a variational distribution. This reduces the trainable parameters and computation cost without significant performance degradations, as demonstrated by our empirical results on regression prob…
Aalto University（阿尔托大学）；RIKEN Center for AI Project（理化学研究所人工智能项目中心）
Sparse variational Gaussian process (SVGP) methods are a common choice for non-conjugate Gaussian process inference because of their computational benefits. In this paper, we improve their computational efficiency by using a dual parameterization where each data example is assigned dual parameters, similarly to site parameters used in expectation propagation. Our dual parameterization speeds-up inference using natural gradient descent, and provides a tighter evidence lower bound for hyperparameter learning. The approach has the same memory cost as the current SVGP methods, but it is faster and…
Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；University of California, Santa Cruz（加州大学圣克鲁兹分校）；UC Berkeley（加州大学伯克利分校）
This paper presents an efficient variational inference framework for deriving a family of structured gaussian process regression network (SGPRN) models. The key idea is to incorporate auxiliary inducing variables in latent functions and jointly treats both the distributions of the inducing variables and hyper-parameters as variational parameters. Then we propose structured variable distributions and marginalize latent variables, which enables the decomposability of a tractable variational lower bound and leads to stochastic optimization. Our inference approach is able to model data in which ou…
University of Sheffield（谢菲尔德大学）；University of Oxford（牛津大学）
This paper introduces a new sparse spatio-temporal structured Gaussian process regression framework for online and offline Bayesian inference. This is the first framework that gives a time-evolving representation of the interdependencies between the components of the sparse signal of interest. A hierarchical Gaussian process describes such structure and the interdependencies are represented via the covariance matrices of the prior distributions. The inference is based on the expectation propagation method and the theoretical derivation of the posterior distribution is provided in the paper. Th…
The use of Gaussian process models is typically limited to datasets with a few tens of thousands of observations due to their complexity and memory footprint. The two most commonly used methods to overcome this limitation are 1) the variational sparse approximation which relies on inducing points and 2) the state-space equivalent formulation of Gaussian processes which can be seen as exploiting some sparsity in the precision matrix. We propose to take the best of both worlds: we show that the inducing point framework is still valid for state space models and that it can bring further computati…
Sparse coding strategies have been lauded for their parsimonious representations of data that leverage low dimensional structure. However, inference of these codes typically relies on an optimization procedure with poor computational scaling in high-dimensional problems. For example, sparse inference in the representations learned in the high-dimensional intermediary layers of deep neural networks (DNNs) requires an iterative minimization to be performed at each training step. As such, recent, quick methods in variational inference have been proposed to infer sparse codes by learning a distrib…
Seoul National University（首尔国立大学）；Imperial College London（帝国理工学院）
This paper proposes a new high dimensional regression method by merging Gaussian process regression into a variational autoencoder framework. In contrast to other regression methods, the proposed method focuses on the case where output responses are on a complex high dimensional manifold, such as images. Our contributions are summarized as follows: (i) A new regression method estimating high dimensional image responses, which is not handled by existing regression algorithms, is proposed. (ii) The proposed regression method introduces a strategy to learn the latent space as well as the encoder …
University of Cambridge（剑桥大学）；ETH Zürich（苏黎世联邦理工学院）；Warwick University（华威大学）
Large, multi-dimensional spatio-temporal datasets are omnipresent in modern science and engineering. An effective framework for handling such data are Gaussian process deep generative models (GP-DGMs), which employ GP priors over the latent variables of DGMs. Existing approaches for performing inference in GP-DGMs do not support sparse GP approximations based on inducing points, which are essential for the computational efficiency of GPs, nor do they handle missing data -- a natural occurrence in many spatio-temporal datasets -- in a principled manner. We address these shortcomings with the de…
Modeling sequential data has become more and more important in practice. Some applications are autonomous driving, virtual sensors and weather forecasting. To model such systems so called recurrent models are used. In this article we introduce two new Deep Recurrent Gaussian Process (DRGP) models based on the Sparse Spectrum Gaussian Process (SSGP) and the improved variational version called Variational Sparse Spectrum Gaussian Process (VSSGP). We follow the recurrent structure given by an existing DRGP based on a specific sparse Nyström approximation. Therefore, we also variationally integrat…
Zero-inflated datasets, which have an excess of zero outputs, are commonly encountered in problems such as climate or rare event modelling. Conventional machine learning approaches tend to overestimate the non-zeros leading to poor performance. We propose a novel model family of zero-inflated Gaussian processes (ZiGP) for such zero-inflated datasets, produced by sparse kernels through learning a latent probit Gaussian process that can zero out kernel rows and columns whenever the signal is absent. The ZiGPs are particularly useful for making the powerful Gaussian process networks more interpre…
Imperial College London（帝国理工学院）；Bogazici University（海峡大学）
We present the development of a semi-supervised regression method using variational autoencoders (VAE), which is customized for use in soft sensing applications. We motivate the use of semi-supervised learning considering the fact that process quality variables are not collected at the same frequency as other process variables leading to many unlabelled records in operational datasets. These unlabelled records are not possible to use for training quality variable predictions based on supervised learning methods. Use of VAEs for unsupervised learning is well established and recently they were u…
We present a planning framework for minimising the deterministic worst-case error in sparse Gaussian process (GP) regression. We first derive a universal worst-case error bound for sparse GP regression with bounded noise using interpolation theory on reproducing kernel Hilbert spaces (RKHSs). By exploiting the conditional independence (CI) assumption central to sparse GP regression, we show that the worst-case error minimisation can be achieved by solving a posterior entropy minimisation problem. In turn, the posterior entropy minimisation problem is solved using a Gaussian belief space planni…
We study frequentist asymptotic properties of Bayesian procedures for high-dimensional Gaussian sparse regression when unknown nuisance parameters are involved. Nuisance parameters can be finite-, high-, or infinite-dimensional. A mixture of point masses at zero and continuous distributions is used for the prior distribution on sparse regression coefficients, and appropriate prior distributions are used for nuisance parameters. The optimal posterior contraction of sparse regression coefficients, hampered by the presence of nuisance parameters, is also examined and discussed. It is shown that t…
Collected data, which is used for analysis or prediction tasks, often have a hierarchical structure, for example, data from various people performing the same task. Modeling the data's structure can improve the reliability of the derived results and prediction performance of newly unobserved data. Bayesian modeling provides a tool-kit for designing hierarchical models. However, Markov Chain Monte Carlo methods which are commonly used for parameter estimation are computationally expensive. This often renders its use for many applications not applicable. However, variational Bayesian methods all…
In this work, we focus on variational Bayesian inference on the sparse Deep Neural Network (DNN) modeled under a class of spike-and-slab priors. Given a pre-specified sparse DNN structure, the corresponding variational posterior contraction rate is characterized that reveals a trade-off between the variational error and the approximation error, which are both determined by the network structural complexity (i.e., depth, width and sparsity). However, the optimal network structure, which strikes the balance of the aforementioned trade-off and yields the best rate, is generally unknown in reality…
We develop a fully automatic Bayesian Lasso via variational inference. This is a scalable procedure for approximating the posterior distribution. Special attention is driven to the knot selection in regression spline. In order to carry through our proposal, a full automatic variational Bayesian Lasso, a Jefferey's prior is proposed for the hyperparameters and a decision theoretical approach is introduced to decide if a knot is selected or not. Extensive simulation studies were developed to ensure the effectiveness of the proposed algorithms. The performance of the algorithms were also tested i…
We study full Bayesian procedures for sparse linear regression when errors have a symmetric but otherwise unknown distribution. The unknown error distribution is endowed with a symmetrized Dirichlet process mixture of Gaussians. For the prior on regression coefficients, a mixture of point masses at zero and continuous distributions is considered. We study behavior of the posterior with diverging number of predictors. Conditions are provided for consistency in the mean Hellinger distance. The compatibility and restricted eigenvalue conditions yield the minimax convergence rate of the regression…
MIT Biological Engineering（麻省理工学院生物工程系）；MIT CSAIL（麻省理工学院计算机科学与人工智能实验室）
We introduce Graph-Sparse Logistic Regression, a new algorithm for classification for the case in which the support should be sparse but connected on a graph. We val- idate this algorithm against synthetic data and benchmark it against L1-regularized Logistic Regression. We then explore our technique in the bioinformatics context of proteomics data on the interactome graph. We make all our experimental code public and provide GSLR as an open source package.
Kernel regression is a popular non-parametric fitting technique. It aims at learning a function which estimates the targets for test inputs as precise as possible. Generally, the function value for a test input is estimated by a weighted average of the surrounding training examples. The weights are typically computed by a distance-based kernel function and they strongly depend on the distances between examples. In this paper, we first review the latest developments of sparse metric learning and kernel regression. Then a novel kernel regression method involving sparse metric learning, which is …
The Graduate University for Advanced Studies, SOKENDAI（综合研究大学院大学）
Robust and sparse estimation of linear regression coefficients is investigated. The situation addressed by the present paper is that covariates and noises are sampled from heavy-tailed distributions, and the covariates and noises are contaminated by malicious outliers. Our estimator can be computed efficiently. Further, the error bound of the estimator is nearly optimal.
In presence of sparse noise we propose kernel regression for predicting output vectors which are smooth over a given graph. Sparse noise models the training outputs being corrupted either with missing samples or large perturbations. The presence of sparse noise is handled using appropriate use of $\ell_1$-norm along-with use of $\ell_2$-norm in a convex cost function. For optimization of the cost function, we propose an iteratively reweighted least-squares (IRLS) approach that is suitable for kernel substitution or kernel trick due to availability of a closed form solution. Simulations using r…
Weill Cornell Medicine（威尔康奈尔医学院）；University of Connecticut（康涅狄格大学）；Michigan State Universtiy（密歇根州立大学）
We propose a sparse and low-rank tensor regression model to relate a univariate outcome to a feature tensor, in which each unit-rank tensor from the CP decomposition of the coefficient tensor is assumed to be sparse. This structure is both parsimonious and highly interpretable, as it implies that the outcome is related to the features through a few distinct pathways, each of which may only involve subsets of feature dimensions. We take a divide-and-conquer strategy to simplify the task into a set of sparse unit-rank tensor regression problems. To make the computation efficient and scalable, fo…
Indian Institute of Technology Madras（印度理工学院马德拉斯分校）
Linear regression models contaminated by Gaussian noise (inlier) and possibly unbounded sparse outliers are common in many signal processing applications. Sparse recovery inspired robust regression (SRIRR) techniques are shown to deliver high quality estimation performance in such regression models. Unfortunately, most SRIRR techniques assume \textit{a priori} knowledge of noise statistics like inlier noise variance or outlier statistics like number of outliers. Both inlier and outlier noise statistics are rarely known \textit{a priori} and this limits the efficient operation of many SRIRR alg…
Xi’an Jiaotong University（西安交通大学）；State Key Laboratory of Management and Control for Complex Systems（复杂系统管理与控制国家重点实验室）
Given $m$ $d$-dimensional responsors and $n$ $d$-dimensional predictors, sparse regression finds at most $k$ predictors for each responsor for linear approximation, $1\leq k \leq d-1$. The key problem in sparse regression is subset selection, which usually suffers from high computational cost. Recent years, many improved approximate methods of subset selection have been published. However, less attention has been paid on the non-approximate method of subset selection, which is very necessary for many questions in data analysis. Here we consider sparse regression from the view of correlation, a…
School of Electrical Engineering, Korea Advanced Institute of Science and Technology（韩国科学技术院电气工程学院）
We consider the classical sparse regression problem of recovering a sparse signal $x_0$ given a measurement vector $y = Φx_0+w$. We propose a tree search algorithm driven by the deep neural network for sparse regression (TSN). TSN improves the signal reconstruction performance of the deep neural network designed for sparse regression by performing a tree search with pruning. It is observed in both noiseless and noisy cases, TSN recovers synthetic and real signals with lower complexity than a conventional tree search and is superior to existing algorithms by a large margin for various types of …
