Efficient Computation of Gaussian Process Regression for Large Spatial Data Sets by Patching Local Gaussian Processes

This paper develops an efficient computational method for solving a Gaussian process (GP) regression for large spatial data sets using a collection of suitably defined local GP regressions. The conventional local GP approach first partitions a domain into multiple non-overlapping local regions, and then fits an independent GP regression for each local region using the training data belonging to the region. Two key issues with the local GP are (1) the prediction around the boundary of a local region is not as accurate as the prediction at interior of the local region, and (2) two local GP regressions for two neighboring local regions produce different predictions at the boundary of the two regions, creating undesirable discontinuity in the prediction. We address these issues by constraining the predictions of local GP regressions sharing a common boundary to satisfy the same boundary constraints, which in turn are estimated by the data. The boundary constrained local GP regressions are solved by a finite element method. Our approach shows competitive performance when compared with several state-of-the-art methods using two synthetic data sets and three real data sets.

[1]  Yu Ding,et al.  Domain Decomposition Approach for Fast Gaussian Process Regression of Large Spatial Data Sets , 2011, J. Mach. Learn. Res..

[2]  D. Nychka,et al.  Covariance Tapering for Interpolation of Large Spatial Datasets , 2006 .

[3]  Thore Graepel,et al.  Solving Noisy Linear Operator Equations by Gaussian Processes: Application to Ordinary and Partial Differential Equations , 2003, ICML.

[4]  H. Rue,et al.  An explicit link between Gaussian fields and Gaussian Markov random fields: the stochastic partial differential equation approach , 2011 .

[5]  Yousef Saad,et al.  Iterative methods for sparse linear systems , 2003 .

[6]  Zoubin Ghahramani,et al.  Local and global sparse Gaussian process approximations , 2007, AISTATS.

[7]  Duy Nguyen-Tuong,et al.  Local Gaussian Process Regression for Real Time Online Model Learning , 2008, NIPS.

[8]  A. Gelfand,et al.  Gaussian predictive process models for large spatial data sets , 2008, Journal of the Royal Statistical Society. Series B, Statistical methodology.

[9]  D. J. Lynch,et al.  A fast banded matrix inversion using connectivity of Schur's complements , 1991, IEEE 1991 International Conference on Systems Engineering.

[10]  Stefan Vandewalle,et al.  Barycentric interpolation and exact integration formulas for the finite volume element method , 2008 .

[11]  Iain Murray Introduction To Gaussian Processes , 2008 .

[12]  J. Guermond,et al.  Theory and practice of finite elements , 2004 .

[13]  Jianhua Z. Huang,et al.  A full scale approximation of covariance functions for large spatial data sets , 2012 .

[14]  Douglas W. Nychka,et al.  Covariance Tapering for Likelihood-Based Estimation in Large Spatial Data Sets , 2008 .

[15]  Bernhard Schölkopf,et al.  Kernels, regularization and differential equations , 2008, Pattern Recognit..

[16]  Roger Woodard,et al.  Interpolation of Spatial Data: Some Theory for Kriging , 1999, Technometrics.

[17]  Peter M. Atkinson,et al.  Geostatistics and remote sensing , 1998 .

[18]  Tao Chen,et al.  Bagging for Gaussian process regression , 2009, Neurocomputing.

[19]  N. Cressie,et al.  Fixed rank kriging for very large spatial data sets , 2008 .

[20]  Marc Peter Deisenroth,et al.  Distributed Gaussian Processes , 2015, ICML.

[21]  Daniel W. Apley,et al.  Local Gaussian Process Approximation for Large Computer Experiments , 2013, 1303.0383.

[22]  Zoubin Ghahramani,et al.  Sparse Gaussian Processes using Pseudo-inputs , 2005, NIPS.

[23]  Carl E. Rasmussen,et al.  Gaussian processes for machine learning , 2005, Adaptive computation and machine learning.

[24]  Neil D. Lawrence,et al.  Fast Forward Selection to Speed Up Sparse Gaussian Process Regression , 2003, AISTATS.

[25]  Jürgen Fuhrmann,et al.  Guermond : " Theory and Practice of Finite Elements " , 2017 .

[26]  Robert B. Gramacy,et al.  Ja n 20 08 Bayesian Treed Gaussian Process Models with an Application to Computer Modeling , 2009 .

[27]  Per-Olof Persson,et al.  A Simple Mesh Generator in MATLAB , 2004, SIAM Rev..

[28]  Volker Tresp,et al.  A Bayesian Committee Machine , 2000, Neural Computation.

[29]  Carl E. Rasmussen,et al.  Infinite Mixtures of Gaussian Process Experts , 2001, NIPS.

[30]  Yu Ding,et al.  Bayesian site selection for fast Gaussian process regression , 2014 .

[31]  Aki Vehtari,et al.  Modelling local and global phenomena with sparse Gaussian processes , 2008, UAI.