We prove the statistical consistency of kernel Partial Least Squares Regression applied to a bounded regression learning problem on a reproducing kernel Hilbert space. Partial Least Squares stands out of well-known classical approaches as e.g. Ridge Regression or Principal Components Regression, as it is not defined as the solution of a global cost minimization procedure over a fixed model nor is it a linear estimator. Instead, approximate solutions are constructed by projections onto a nested set of data-dependent subspaces. To prove consistency, we exploit the known fact that Partial Least Squares is equivalent to the conjugate gradient algorithm in combination with early stopping. The choice of the stopping rule (number of iterations) is a crucial point. We study two empirical stopping rules. The first one monitors the estimation error in each iteration step of Partial Least Squares, and the second one estimates the empirical complexity in terms of a condition number. Both stopping rules lead to universally consistent estimators provided the kernel is universal.
Universität Stuttgart（斯图加特大学）；Bosch Healthcare Solutions（博世医疗解决方案）
We investigate iterated compositions of weighted sums of Gaussian kernels and provide an interpretation of the construction that shows some similarities with the architectures of deep neural networks. On the theoretical side, we show that these kernels are universal and that SVMs using these kernels are universally consistent. We further describe a parameter optimization method for the kernel parameters and empirically compare this method to SVMs, random forests, a multiple kernel learning approach, and to some deep neural networks.
We prove rates of convergence in the statistical sense for kernel-based least squares regression using a conjugate gradient algorithm, where regularization against overfitting is obtained by early stopping. This method is directly related to Kernel Partial Least Squares, a regression method that combines supervised dimensionality reduction with least squares projection. The rates depend on two key quantities: first, on the regularity of the target regression function and second, on the intrinsic dimensionality of the data mapped into the kernel space. Lower bounds on attainable rates depending…
KU Leuven（鲁汶大学）；Fudan University（复旦大学）；Shanghai Jiao Tong University（上海交通大学）
In this paper, we study the asymptotic properties of regularized least squares with indefinite kernels in reproducing kernel Krein spaces (RKKS). By introducing a bounded hyper-sphere constraint to such non-convex regularized risk minimization problem, we theoretically demonstrate that this problem has a globally optimal solution with a closed form on the sphere, which makes approximation analysis feasible in RKKS. Regarding to the original regularizer induced by the indefinite inner product, we modify traditional error decomposition techniques, prove convergence results for the introduced hyp…
Learning with Fredholm kernel has attracted increasing attention recently since it can effectively utilize the data information to improve the prediction performance. Despite rapid progress on theoretical and experimental evaluations, its generalization analysis has not been explored in learning theory literature. In this paper, we establish the generalization bound of least square regularized regression with Fredholm kernel, which implies that the fast learning rate O(l^{-1}) can be reached under mild capacity conditions. Simulated examples show that this Fredholm regression algorithm can ach…
We prove statistical rates of convergence for kernel-based least squares regression from i.i.d. data using a conjugate gradient algorithm, where regularization against overfitting is obtained by early stopping. This method is related to Kernel Partial Least Squares, a regression method that combines supervised dimensionality reduction with least squares projection. Following the setting introduced in earlier related literature, we study so-called "fast convergence rates" depending on the regularity of the target regression function (measured by a source condition in terms of the kernel integra…
The Institute of Artificial Intelligence and Robotics（人工智能与机器人研究所）；University of Florida（佛罗里达大学）
Kernel adaptive filters (KAF) are a class of powerful nonlinear filters developed in Reproducing Kernel Hilbert Space (RKHS). The Gaussian kernel is usually the default kernel in KAF algorithms, but selecting the proper kernel size (bandwidth) is still an open important issue especially for learning with small sample sizes. In previous research, the kernel size was set manually or estimated in advance by Silvermans rule based on the sample distribution. This study aims to develop an online technique for optimizing the kernel size of the kernel least mean square (KLMS) algorithm. A sequential o…
The least-squares support vector machine is a frequently used kernel method for non-linear regression and classification tasks. Here we discuss several approximation algorithms for the least-squares support vector machine classifier. The proposed methods are based on randomized block kernel matrices, and we show that they provide good accuracy and reliable scaling for multi-class classification problems with relatively large data sets. Also, we present several numerical experiments that illustrate the practical applicability of the proposed methods.
The University of Sydney（悉尼大学）；University of Reading（雷丁大学）
A general framework of least squares support vector machine with low rank kernels, referred to as LR-LSSVM, is introduced in this paper. The special structure of low rank kernels with a controlled model size brings sparsity as well as computational efficiency to the proposed model. Meanwhile, a two-step optimization algorithm with three different criteria is proposed and various experiments are carried out using the example of the so-call robust RBF kernel to validate the model. The experiment results show that the performance of the proposed algorithm is comparable or superior to several exis…
In most adaptive signal processing applications, system linearity is assumed and adaptive linear filters are thus used. The traditional class of supervised adaptive filters rely on error-correction learning for their adaptive capability. The kernel method is a powerful nonparametric modeling tool for pattern analysis and statistical signal processing. Through a nonlinear mapping, kernel methods transform the data into a set of points in a Reproducing Kernel Hilbert Space. KRLS achieves high accuracy and has fast convergence rate in stationary scenario. However the good performance is obtained …
University of Bayreuth（拜罗伊特大学）；Zhejiang Normal University（浙江师范大学）
Statistical machine learning plays an important role in modern statistics and computer science. One main goal of statistical machine learning is to provide universally consistent algorithms, i.e., the estimator converges in probability or in some stronger sense to the Bayes risk or to the Bayes decision function. Kernel methods based on minimizing the regularized risk over a reproducing kernel Hilbert space (RKHS) belong to these statistical machine learning methods. It is in general unknown which kernel yields optimal results for a particular data set or for the unknown probability measure. H…
Kernel method-based one-class classifier is mainly used for outlier or novelty detection. In this letter, kernel ridge regression (KRR) based one-class classifier (KOC) has been extended for learning using privileged information (LUPI). LUPI-based KOC method is referred to as KOC+. This privileged information is available as a feature with the dataset but only for training (not for testing). KOC+ utilizes the privileged information differently compared to normal feature information by using a so-called correction function. Privileged information helps KOC+ in achieving better generalization pe…
This paper presents a stochastic behavior analysis of a kernel-based stochastic restricted-gradient descent method. The restricted gradient gives a steepest ascent direction within the so-called dictionary subspace. The analysis provides the transient and steady state performance in the mean squared error criterion. It also includes stability conditions in the mean and mean-square sense. The present study is based on the analysis of the kernel normalized least mean square (KNLMS) algorithm initially proposed by Chen et al. Simulation results validate the analysis.
Universidad de Sevilla（塞维利亚大学）；The University of Edinburgh（爱丁堡大学）；The Alan Turing Institute（艾伦·图灵研究所）
We propose a novel adaptive kernel based regression method for complex-valued signals: the generalized complex-valued kernel least-mean-square (gCKLMS). We borrow from the new results on widely linear reproducing kernel Hilbert space (WL-RKHS) for nonlinear regression and complex-valued signals, recently proposed by the authors. This paper shows that in the adaptive version of the kernel regression for complex-valued signals we need to include another kernel term, the so-called pseudo-kernel. This new solution is endowed with better representation capabilities in complex-valued fields, since i…
In this paper, we consider the nonparametric least square regression in a Reproducing Kernel Hilbert Space (RKHS). We propose a new randomized algorithm that has optimal generalization error bounds with respect to the square loss, closing a long-standing gap between upper and lower bounds. Moreover, we show that our algorithm has faster finite-time and asymptotic rates on problems where the Bayes risk with respect to the square loss is small. We state our results using standard tools from the theory of least square regression in RKHSs, namely, the decay of the eigenvalues of the associated int…
Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）；University of Tübingen（图宾根大学）
Regularized least-squares (kernel-ridge / Gaussian process) regression is a fundamental algorithm of statistics and machine learning. Because generic algorithms for the exact solution have cubic complexity in the number of datapoints, large datasets require to resort to approximations. In this work, the computation of the least-squares prediction is itself treated as a probabilistic inference problem. We propose a structured Gaussian regression model on the kernel function that uses projections of the kernel matrix to obtain a low-rank approximation of the kernel and the matrix. A central resu…
This paper presents regression models obtained from a process of blind prediction of peptide binding affinity from provided descriptors for several distinct datasets as part of the 2006 Comparative Evaluation of Prediction Algorithms (COEPRA) contest. This paper finds that kernel partial least squares, a nonlinear partial least squares (PLS) algorithm, outperforms PLS, and that the incorporation of transferable atom equivalent features improves predictive capability.
In the context of kernel methods, the similarity between data points is encoded by the kernel function which is often defined thanks to the Euclidean distance, a common example being the squared exponential kernel. Recently, other distances relying on optimal transport theory - such as the Wasserstein distance between probability distributions - have shown their practical relevance for different machine learning techniques. In this paper, we study the use of exponential kernels defined thanks to the regularized Wasserstein distance and discuss their positive definiteness. More specifically, we…
INRIA（法国国家信息与自动化研究所）；PSL Research University（PSL研究大学）
Kernel mean embeddings are a popular tool that consists in representing probability measures by their infinite-dimensional mean embeddings in a reproducing kernel Hilbert space. When the kernel is characteristic, mean embeddings can be used to define a distance between probability measures, known as the maximum mean discrepancy (MMD). A well-known advantage of mean embeddings and MMD is their low computational cost and low sample complexity. However, kernel mean embeddings have had limited applications to problems that consist in optimizing distributions, due to the difficulty of characterizin…
The popular cubic smoothing spline estimate of a regression function arises as the minimizer of the penalized sum of squares $\sum_j(Y_j - μ(t_j))^2 + λ\int_a^b [μ"(t)]^2 dt$, where the data are $t_j,Y_j$, $j=1,..., n$. The minimization is taken over an infinite-dimensional function space, the space of all functions with square integrable second derivatives. But the calculations can be carried out in a finite-dimensional space. The reduction from minimizing over an infinite dimensional space to minimizing over a finite dimensional space occurs for more general objective functions: the data may…
Support vector machines (SVMs) are special kernel based methods and belong to the most successful learning methods since more than a decade. SVMs can informally be described as a kind of regularized M-estimators for functions and have demonstrated their usefulness in many complicated real-life problems. During the last years a great part of the statistical research on SVMs has concentrated on the question how to design SVMs such that they are universally consistent and statistically robust for nonparametric classification or nonparametric regression purposes. In many applications, some qualita…
Regularization is used to find a solution that both fits the data and is sufficiently smooth, and thereby is very effective for designing and refining learning algorithms. But the influence of its exponent remains poorly understood. In particular, it is unclear how the exponent of the reproducing kernel Hilbert space~(RKHS) regularization term affects the accuracy and the efficiency of kernel-based learning algorithms. Here we consider regularized least squares regression (RLSR) with an RKHS regularization raised to the power of m, where m is a variable real exponent. We design an efficient al…
Functional regression is very crucial in functional data analysis and a linear relationship between scalar response and functional predictor is often assumed. However, the linear assumption may not hold in practice, which makes the methods for linear models invalid. To gain more flexibility, we focus on functional nonlinear models and aim to develop new method that requires no strict constraint on the nonlinear structure. Inspired by the idea of the kernel method in machine learning, we propose a kernel functional partial least squares (KFPLS) method for the functional nonlinear models. The in…
We implement extensions of the partial least squares generalized linear regression (PLSGLR) due to Bastien et al. (2005) through its combination with logistic regression and linear discriminant analysis, to get a partial least squares generalized linear regression-logistic regression model (PLSGLR-log), and a partial least squares generalized linear regression-linear discriminant analysis model (PLSGLRDA). These two classification methods are then compared with classical methodologies like the k-nearest neighbours (KNN), linear discriminant analysis (LDA), partial least squares discriminant an…
