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Register a new userRandom Fourier Features for Kernel Ridge Regression: Approximation Bounds and Statistical Guarantees
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Added by
Haim Avron
Publication date
2018
fields
Informatics Engineering
and research's language is
English
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Random Fourier features is one of the most popular techniques for scaling up kernel methods, such as kernel ridge regression. However, despite impressive empirical results, the statistical properties of random Fourier features are still not well understood. In this paper we take steps toward filling this gap. Specifically, we approach random Fourier features from a spectral matrix approximation point of view, give tight bounds on the number of Fourier features required to achieve a spectral approximation, and show how spectral matrix approximation bounds imply statistical guarantees for kernel ridge regression. Qualitatively, our results are twofold: on the one hand, we show that random Fourier feature approximation can provably speed up kernel ridge regression under reasonable assumptions. At the same time, we show that the method is suboptimal, and sampling from a modified distribution in Fourier space, given by the leverage function of the kernel, yields provably better performance. We study this optimal sampling distribution for the Gaussian kernel, achieving a nearly complete characterization for the case of low-dimensional bounded datasets. Based on this characterization, we propose an efficient sampling scheme with guarantees superior to random Fourier features in this regime.
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Nystrom approximation is a fast randomized method that rapidly solves kernel ridge regression (KRR) problems through sub-sampling the n-by-n empirical kernel matrix appearing in the objective function. However, the performance of such a sub-sampling method heavily relies on correctly estimating the statistical leverage scores for forming the sampling distribution, which can be as costly as solving the original KRR. In this work, we propose a linear time (modulo poly-log terms) algorithm to accurately approximate the statistical leverage scores in the stationary-kernel-based KRR with theoretical guarantees. Particularly, by analyzing the first-order condition of the KRR objective, we derive an analytic formula, which depends on both the input distribution and the spectral density of stationary kernels, for capturing the non-uniformity of the statistical leverage scores. Numerical experiments demonstrate that with the same prediction accuracy our method is orders of magnitude more efficient than existing methods in selecting the representative sub-samples in the Nystrom approximation.
Despite their success, kernel methods suffer from a massive computational cost in practice. In this paper, in lieu of commonly used kernel expansion with respect to $N$ inputs, we develop a novel optimal design maximizing the entropy among kernel features. This procedure results in a kernel expansion with respect to entropic optimal features (EOF), improving the data representation dramatically due to features dissimilarity. Under mild technical assumptions, our generalization bound shows that with only $O(N^{frac{1}{4}})$ features (disregarding logarithmic factors), we can achieve the optimal statistical accuracy (i.e., $O(1/sqrt{N})$). The salient feature of our design is its sparsity that significantly reduces the time and space cost. Our numerical experiments on benchmark datasets verify the superiority of EOF over the state-of-the-art in kernel approximation.
The Neural Tangent Kernel (NTK) has discovered connections between deep neural networks and kernel methods with insights of optimization and generalization. Motivated by this, recent works report that NTK can achieve better performances compared to training neural networks on small-scale datasets. However, results under large-scale settings are hardly studied due to the computational limitation of kernel methods. In this work, we propose an efficient feature map construction of the NTK of fully-connected ReLU network which enables us to apply it to large-scale datasets. We combine random features of the arc-cosine kernels with a sketching-based algorithm which can run in linear with respect to both the number of data points and input dimension. We show that dimension of the resulting features is much smaller than other baseline feature map constructions to achieve comparable error bounds both in theory and practice. We additionally utilize the leverage score based sampling for improved bounds of arc-cosine random features and prove a spectral approximation guarantee of the proposed feature map to the NTK matrix of two-layer neural network. We benchmark a variety of machine learning tasks to demonstrate the superiority of the proposed scheme. In particular, our algorithm can run tens of magnitude faster than the exact kernel methods for large-scale settings without performance loss.
Low-rank approximation of kernels is a fundamental mathematical problem with widespread algorithmic applications. Often the kernel is restricted to an algebraic variety, e.g., in problems involving sparse or low-rank data. We show that significantly better approximations are obtainable in this setting: the rank required to achieve a given error depends on the varietys dimension rather than the ambient dimension, which is typically much larger. This is true in both high-precision and high-dimensional regimes. Our results are presented for smooth isotropic kernels, the predominant class of kernels used in applications. Our main technical insight is to approximate smooth kernels by polynomial kernels, and leverage two key properties of polynomial kernels that hold when they are restricted to a variety. First, their ranks decrease exponentially in the varietys co-dimension. Second, their maximum values are governed by their values over a small set of points. Together, our results provide a general approach for exploiting (approximate) algebraic structure in datasets in order to efficiently solve large-scale data science problems.
We propose statistical inferential procedures for panel data models with interactive fixed effects in a kernel ridge regression framework.Compared with traditional sieve methods, our method is automatic in the sense that it does not require the choice of basis functions and truncation parameters.Model complexity is controlled by a continuous regularization parameter which can be automatically selected by generalized cross validation. Based on empirical processes theory and functional analysis tools, we derive joint asymptotic distributions for the estimators in the heterogeneous setting. These joint asymptotic results are then used to construct confidence intervals for the regression means and prediction intervals for the future observations, both being the first provably valid intervals in literature. Marginal asymptotic normality of the functional estimators in homogeneous setting is also obtained. Simulation and real data analysis demonstrate the advantages of our method.
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