A Kernel Approach for PDE Discovery and Operator Learning

This article presents a three-step framework for learning and solving partial differential equations (PDEs) using kernel methods. Given a training set consisting of pairs of noisy PDE solutions and source/boundary terms on a mesh, kernel smoothing is utilized to denoise the data and approximate derivatives of the solution. This information is then used in a kernel regression model to learn the algebraic form of the PDE. The learned PDE is then used within a kernel based solver to approximate the solution of the PDE with a new source/boundary term, thereby constituting an operator learning framework. Numerical experiments compare the method to state-of-the-art algorithms and demonstrate its competitive performance

Approximate inference of the bandwidth in multivariate kernel density estimation

Kernel density estimation is a popular and widely used non-parametric method for data-driven density estimation. Its appeal lies in its simplicity and ease of implementation, as well as its strong asymptotic results regarding its convergence to the true data distribution. However, a major difficulty is the setting of the bandwidth, particularly in high dimensions and with limited amount of data. An approximate Bayesian method is proposed, based on the Expectation–Propagation algorithm with a likelihood obtained from a leave-one-out cross validation approach. The proposed method yields an iterative procedure to approximate the posterior distribution of the inverse bandwidth. The approximate posterior can be used to estimate the model evidence for selecting the structure of the bandwidth and approach online learning. Extensive experimental validation shows that the proposed method is competitive in terms of performance with state-of-the-art plug-in methods

Bayesian Approximate Kernel Regression with Variable Selection

Nonlinear kernel regression models are often used in statistics and machine learning because they are more accurate than linear models. Variable selection for kernel regression models is a challenge partly because, unlike the linear regression setting, there is no clear concept of an effect size for regression coefficients. In this paper, we propose a novel framework that provides an effect size analog of each explanatory variable for Bayesian kernel regression models when the kernel is shift-invariant --- for example, the Gaussian kernel. We use function analytic properties of shift-invariant reproducing kernel Hilbert spaces (RKHS) to define a linear vector space that: (i) captures nonlinear structure, and (ii) can be projected onto the original explanatory variables. The projection onto the original explanatory variables serves as an analog of effect sizes. The specific function analytic property we use is that shift-invariant kernel functions can be approximated via random Fourier bases. Based on the random Fourier expansion we propose a computationally efficient class of Bayesian approximate kernel regression (BAKR) models for both nonlinear regression and binary classification for which one can compute an analog of effect sizes. We illustrate the utility of BAKR by examining two important problems in statistical genetics: genomic selection (i.e. phenotypic prediction) and association mapping (i.e. inference of significant variants or loci). State-of-the-art methods for genomic selection and association mapping are based on kernel regression and linear models, respectively. BAKR is the first method that is competitive in both settings.Comment: 22 pages, 3 figures, 3 tables; theory added; new simulations presented; references adde

Implicit Kernel Meta-Learning Using Kernel Integral Forms

Meta-learning algorithms have made significant progress in the context of meta-learning for image classification but less attention has been given to the regression setting. In this paper we propose to learn the probability distribution representing a random feature kernel that we wish to use within kernel ridge regression (KRR). We introduce two instances of this meta-learning framework, learning a neural network pushforward for a translation-invariant kernel and an affine pushforward for a neural network random feature kernel, both mapping from a Gaussian latent distribution. We learn the parameters of the pushforward by minimizing a meta-loss associated to the KRR objective. Since the resulting kernel does not admit an analytical form, we adopt a random feature sampling approach to approximate it. We call the resulting method Implicit Kernel Meta-Learning (IKML). We derive a meta-learning bound for IKML, which shows the role played by the number of tasks T, the task sample size n, and the number of random features M. In particular the bound implies that M can be the chosen independently of T and only mildly dependent on n. We introduce one synthetic and two real-world meta-learning regression benchmark datasets. Experiments on these datasets show that IKML performs best or close to best when compared against competitive meta-learning methods

Learning Compositional Sparse Gaussian Processes with a Shrinkage Prior

Choosing a proper set of kernel functions is an important problem in learning Gaussian Process (GP) models since each kernel structure has different model complexity and data fitness. Recently, automatic kernel composition methods provide not only accurate prediction but also attractive interpretability through search-based methods. However, existing methods suffer from slow kernel composition learning. To tackle large-scaled data, we propose a new sparse approximate posterior for GPs, MultiSVGP, constructed from groups of inducing points associated with individual additive kernels in compositional kernels. We demonstrate that this approximation provides a better fit to learn compositional kernels given empirical observations. We also provide theoretically justification on error bound when compared to the traditional sparse GP. In contrast to the search-based approach, we present a novel probabilistic algorithm to learn a kernel composition by handling the sparsity in the kernel selection with Horseshoe prior. We demonstrate that our model can capture characteristics of time series with significant reductions in computational time and have competitive regression performance on real-world data sets.Comment: AAAI 202

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

Convolutional Kernel Networks

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is encoded by a reproducing kernel. Unlike traditional approaches where neural networks are learned either to represent data or for solving a classification task, our network learns to approximate the kernel feature map on training data. Such an approach enjoys several benefits over classical ones. First, by teaching CNNs to be invariant, we obtain simple network architectures that achieve a similar accuracy to more complex ones, while being easy to train and robust to overfitting. Second, we bridge a gap between the neural network literature and kernels, which are natural tools to model invariance. We evaluate our methodology on visual recognition tasks where CNNs have proven to perform well, e.g., digit recognition with the MNIST dataset, and the more challenging CIFAR-10 and STL-10 datasets, where our accuracy is competitive with the state of the art.Comment: appears in Advances in Neural Information Processing Systems (NIPS), Dec 2014, Montreal, Canada, http://nips.c