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Index Set Fourier Series Features for Approximating Multi-dimensional Periodic Kernels

arXiv.org Machine Learning

Periodicity is often studied in timeseries modelling with autoregressive methods but is less popular in the kernel literature, particularly for higher dimensional problems such as in textures, crystallography, and quantum mechanics. Large datasets often make modelling periodicity untenable for otherwise powerful non-parametric methods like Gaussian Processes (GPs) which typically incur an $\mathcal{O}(N^3)$ computational burden and, consequently, are unable to scale to larger datasets. To this end we introduce a method termed \emph{Index Set Fourier Series Features} to tractably exploit multivariate Fourier series and efficiently decompose periodic kernels on higher-dimensional data into a series of basis functions. We show that our approximation produces significantly less predictive error than alternative approaches such as those based on random Fourier features and achieves better generalisation on regression problems with periodic data.


Tompkins

AAAI Conferences

Gaussian Processes (GPs) provide an extremely powerful mechanism to model a variety of problems but incur an O(N3) complexity in the number of data samples. Common approximation methods rely on what are often termed inducing points but still typically incur an O(NM2) complexity in the data and corresponding inducing points. Using Random Fourier Feature (RFF) maps, we overcome this by transforming the problem into a Bayesian Linear Regression formulation upon which we apply a Bayesian Variational treatment that also allows learning the corresponding kernel hyperparameters, likelihood and noise parameters. In this paper we introduce an alternative method using Fourier series to obtain spectral representations of common kernels, in particular for periodic warpings, which surprisingly have a convergent, non-random form using special functions, requiring fewer spectral features to approximate their corresponding kernel to high accuracy. Using this, we can fuse the Random Fourier Feature spectral representations of common kernels with their periodic counterparts to show how they can more effectively and expressively learn patterns in time-series for both interpolation and extrapolation. This method combines robustness, scalability and equally importantly, interpretability through a symbolic declarative grammar that is both functionally and humanly intuitive -- a property that is crucial for explainable decision making. Using probabilistic programming and Variational Inference we are able to efficiently optimise over these rich functional representations. We show significantly improved Gram matrix approximation errors, and also demonstrate the method in several time-series problems comparing other commonly used approaches such as recurrent neural networks.


Gaussian Process Kernels for Pattern Discovery and Extrapolation

arXiv.org Artificial Intelligence

Gaussian processes are rich distributions over functions, which provide a Bayesian nonparametric approach to smoothing and interpolation. We introduce simple closed form kernels that can be used with Gaussian processes to discover patterns and enable extrapolation. These kernels are derived by modelling a spectral density -- the Fourier transform of a kernel -- with a Gaussian mixture. The proposed kernels support a broad class of stationary covariances, but Gaussian process inference remains simple and analytic. We demonstrate the proposed kernels by discovering patterns and performing long range extrapolation on synthetic examples, as well as atmospheric CO2 trends and airline passenger data. We also show that we can reconstruct standard covariances within our framework.


Harmonizable mixture kernels with variational Fourier features

arXiv.org Machine Learning

The expressive power of Gaussian processes depends heavily on the choice of kernel. In this work we propose the novel harmonizable mixture kernel (HMK), a family of expressive, interpretable, non-stationary kernels derived from mixture models on the generalized spectral representation. As a theoretically sound treatment of non-stationary kernels, HMK supports harmonizable covariances, a wide subset of kernels including all stationary and many non-stationary covariances. We also propose variational Fourier features, an inter-domain sparse GP inference framework that offers a representative set of 'inducing frequencies'. We show that harmonizable mixture kernels interpolate between local patterns, and that variational Fourier features offers a robust kernel learning framework for the new kernel family.


Neural Non-Stationary Spectral Kernel

arXiv.org Machine Learning

Spectral mixture kernels have been proposed as general-purpose, flexible kernels for learning and discovering more complicated patterns in the data. Spectral mixture kernels have recently been generalized into non-stationary kernels by replacing the mixture weights, frequency means and variances by input-dependent functions. These functions have also been modelled as Gaussian processes on their own. In this paper we propose modelling the hyperparameter functions with neural networks, and provide an experimental comparison between the stationary spectral mixture and the two non-stationary spectral mixtures. Scalable Gaussian process inference is implemented within the sparse variational framework for all the kernels considered. We show that the neural variant of the kernel is able to achieve the best performance, among alternatives, on several benchmark datasets.