In supervised learning using kernel methods, we often encounter a large-scale finite-sum minimization over a reproducing kernel Hilbert space (RKHS). Large-scale finite-sum problems can be solved using efficient variants of Newton method, where the Hessian is approximated via sub-samples of data. In RKHS, however, the dependence of the penalty function to kernel makes standard sub-sampling approaches inapplicable, since the gram matrix is not readily available in a low-rank form. In this paper, we observe that for this class of problems, one can naturally use kernel approximation to speed up the Newton method. Focusing on randomized features for kernel approximation, we provide a novel second-order algorithm that enjoys local superlinear convergence and global linear convergence (with high probability). We derive the theoretical lower bound for the number of random features required for the approximated Hessian to be close to the true Hessian in the norm sense. Our numerical experiments on real-world data verify the efficiency of our method compared to several benchmarks.
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…
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…
The recent developments of basis pursuit and compressed sensing seek to extract information from as few samples as possible. In such applications, since the number of samples is restricted, one should deploy the sampling points wisely. We are motivated to study the optimal distribution of finite sampling points. Formulation under the framework of optimal reconstruction yields a minimization problem. In the discrete case, we estimate the distance between the optimal subspace resulting from a general Karhunen-Loeve transform and the kernel space to obtain another algorithm that is computationall…
In this work, we develop and study an empirical projection operator scheme for solving nonparametric regression problems. This scheme is based on an approximate projection of the regression function over a suitable reproducing kernel Hilbert space (RKHS). The RKHS considered in this paper are generated by the Mercer kernels given by the Legendre Christoffel-Darboux and convolution Sinc kernels. We provide error and convergence analysis of the proposed scheme under the assumption that the regression function belongs to some suitable functional spaces. We also consider the popular RKHS regulariz…
Expectile, first introduced by Newey and Powell (1987) in the econometrics literature, has recently become increasingly popular in risk management and capital allocation for financial institutions due to its desirable properties such as coherence and elicitability. The current standard tool for expectile regression analysis is the multiple linear expectile regression proposed by Newey and Powell in 1987. The growing applications of expectile regression motivate us to develop a much more flexible nonparametric multiple expectile regression in a reproducing kernel Hilbert space. The resulting es…
The University of Tokyo（东京大学）；Japan Science and Technology Agency（日本科学技术振兴机构）；RIKEN（理化学研究所）
We develop a new theoretical framework to analyze the generalization error of deep learning, and derive a new fast learning rate for two representative algorithms: empirical risk minimization and Bayesian deep learning. The series of theoretical analyses of deep learning has revealed its high expressive power and universal approximation capability. Although these analyses are highly nonparametric, existing generalization error analyses have been developed mainly in a fixed dimensional parametric model. To compensate this gap, we develop an infinite dimensional model that is based on an integra…
Institute of Information Engineering, Chinese Academy of Sciences（中国科学院信息工程研究所）；Inception Institute of Artificial Intelligence（起源人工智能研究院）
Theoretical analysis of the divide-and-conquer based distributed learning with least square loss in the reproducing kernel Hilbert space (RKHS) have recently been explored within the framework of learning theory. However, the studies on learning theory for general loss functions and hypothesis spaces remain limited. To fill the gap, we study the risk performance of distributed empirical risk minimization (ERM) for general loss functions and hypothesis spaces. The main contributions are two-fold. First, we derive two tight risk bounds under certain basic assumptions on the hypothesis space, as …
We analyze in this paper a random feature map based on a theory of invariance I-theory introduced recently. More specifically, a group invariant signal signature is obtained through cumulative distributions of group transformed random projections. Our analysis bridges invariant feature learning with kernel methods, as we show that this feature map defines an expected Haar integration kernel that is invariant to the specified group action. We show how this non-linear random feature map approximates this group invariant kernel uniformly on a set of $N$ points. Moreover, we show that it defines a…
University of Bayreuth（拜罗伊特大学）；Zhejiang Normal University（浙江师范大学）；City University of Hong Kong（香港城市大学）
Regularized empirical risk minimization using kernels and their corresponding reproducing kernel Hilbert spaces (RKHSs) plays an important role in machine learning. However, the actually used kernel often depends on one or on a few hyperparameters or the kernel is even data dependent in a much more complicated manner. Examples are Gaussian RBF kernels, kernel learning, and hierarchical Gaussian kernels which were recently proposed for deep learning. Therefore, the actually used kernel is often computed by a grid search or in an iterative manner and can often only be considered as an approximat…
Dynamic Regret Reduces to Kernelized Static Regret
Università degli Studi di Milano Politecnico di Milano（米兰大学）；Bocconi University（博科尼大学）；King Abdullah University of Science and Technology (KAUST)（卡斯泰洛-阿卜杜勒-阿齐兹大学）
Istituto Italiano di Tecnologia（意大利技术研究院）；University of Genova（热那亚大学）
In this work we are interested in the problems of supervised learning and variable selection when the input-output dependence is described by a nonlinear function depending on a few variables. Our goal is to consider a sparse nonparametric model, hence avoiding linear or additive models. The key idea is to measure the importance of each variable in the model by making use of partial derivatives. Based on this intuition we propose a new notion of nonparametric sparsity and a corresponding least squares regularization scheme. Using concepts and results from the theory of reproducing kernel Hilbe…
University of California, Berkeley（加州大学伯克利分校）；The Voleon Group（沃利恩集团）
We describe an implicit sparsity-inducing mechanism based on minimization over a family of kernels: \begin{equation*} \min_{β, f}~\widehat{\mathbb{E}}[L(Y, f(β^{1/q} \odot X)] + λ_n \|f\|_{\mathcal{H}_q}^2~~\text{subject to}~~β\ge 0, \end{equation*} where $L$ is the loss, $\odot$ is coordinate-wise multiplication and $\mathcal{H}_q$ is the reproducing kernel Hilbert space based on the kernel $k_q(x, x') = h(\|x-x'\|_q^q)$, where $\|\cdot\|_q$ is the $\ell_q$ norm. Using gradient descent to optimize this objective with respect to $β$ leads to exactly sparse stationary points with high probabili…
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…
Florida Institute of Technology（佛罗里达理工学院）；University of Florida（佛罗里达大学）
Supervised dimensionality reduction has emerged as an important theme in the last decade. Despite the plethora of models and formulations, there is a lack of a simple model which aims to project the set of patterns into a space defined by the classes (or categories). To this end, we set up a model in which each class is represented as a 1D subspace of the vector space formed by the features. Assuming the set of classes does not exceed the cardinality of the features, the model results in multi-class supervised learning in which the features of each class are projected into the class subspace. …
Although achieving remarkable progress, it is very difficult to induce a supervised classifier without any labeled data. Unsupervised domain adaptation is able to overcome this challenge by transferring knowledge from a labeled source domain to an unlabeled target domain. Transferability and discriminability are two key criteria for characterizing the superiority of feature representations to enable successful domain adaptation. In this paper, a novel method called \textit{learning TransFerable and Discriminative Features for unsupervised domain adaptation} (TFDF) is proposed to optimize these…
We propose a novel integrated formulation for multiclass and multilabel support vector machines (SVMs). A number of approaches have been proposed to extend the original binary SVM to an all-in-one multiclass SVM. However, its direct extension to a unified multilabel SVM has not been widely investigated. We propose a straightforward extension to the SVM to cope with multiclass and multilabel classification problems within a unified framework. Our framework deviates from the conventional soft margin SVM framework with its direct oppositional structure. In our formulation, class-specific weight v…
This paper proposes a unified framework for the investigation of constrained learning theory in reflexive Banach spaces of features via regularized empirical risk minimization. The focus is placed on Tikhonov-like regularization with totally convex functions. This broad class of regularizers provides a flexible model for various priors on the features, including in particular hard constraints and powers of Banach norms. In such context, the main results establish a new general form of the representer theorem and the consistency of the corresponding learning schemes under general conditions on …
University of Oxford（牛津大学）；Universitat de València（瓦伦西亚大学）
Current adoption of machine learning in industrial, societal and economical activities has raised concerns about the fairness, equity and ethics of automated decisions. Predictive models are often developed using biased datasets and thus retain or even exacerbate biases in their decisions and recommendations. Removing the sensitive covariates, such as gender or race, is insufficient to remedy this issue since the biases may be retained due to other related covariates. We present a regularization approach to this problem that trades off predictive accuracy of the learned models (with respect to…
The problem of multiple kernel learning based on penalized empirical risk minimization is discussed. The complexity penalty is determined jointly by the empirical $L_2$ norms and the reproducing kernel Hilbert space (RKHS) norms induced by the kernels with a data-driven choice of regularization parameters. The main focus is on the case when the total number of kernels is large, but only a relatively small number of them is needed to represent the target function, so that the problem is sparse. The goal is to establish oracle inequalities for the excess risk of the resulting prediction rule sho…
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 S…
Kernel Methods for Some Transport Equations with Application to Learning Kernels for the Approximation of Koopman Eigenfunctions: A Unified Approach via Variational Methods, Green's Functions and the Method of Characteristics
A Lipschitz spaces view of infinitely wide shallow neural networks
Institute of Applied Mathematics, TU Delft（代尔夫特理工大学应用数学研究所）；Department of Applied Mathematics, University of Twente（埃因霍温理工大学应用数学系）；Department of Mathematical Sciences, University of Bath（巴斯大学数学科学系）；MaLGa - DIMA, University of Genoa（热那亚大学MaLGa-DIMA）；RoMaDS - Department of Mathematics, University of Rome Tor Vergata（罗马第二大学罗马达斯-数学系）
We consider expected risk minimization problems when the range of the estimator is required to be nonnegative, motivated by the settings of maximum likelihood estimation (MLE) and trajectory optimization. To facilitate nonlinear interpolation, we hypothesize that the search space is a Reproducing Kernel Hilbert Space (RKHS). We develop first and second-order variants of stochastic mirror descent employing (i) \emph{pseudo-gradients} and (ii) complexity-reducing projections. Compressive projection in the first-order scheme is executed via kernel orthogonal matching pursuit (KOMP), which overcom…
INRIA（法国国家信息与自动化研究所）；Département d’Informatique de l’École Normale Supérieure（巴黎高等师范学院计算机系）；PSL Research University（巴黎文理研究大学）
We consider the global minimization of smooth functions based solely on function evaluations. Algorithms that achieve the optimal number of function evaluations for a given precision level typically rely on explicitly constructing an approximation of the function which is then minimized with algorithms that have exponential running-time complexity. In this paper, we consider an approach that jointly models the function to approximate and finds a global minimum. This is done by using infinite sums of square smooth functions and has strong links with polynomial sum-of-squares hierarchies. Levera…
Nonparametric feature selection in high-dimensional data is an important and challenging problem in statistics and machine learning fields. Most of the existing methods for feature selection focus on parametric or additive models which may suffer from model misspecification. In this paper, we propose a new framework to perform nonparametric feature selection for both regression and classification problems. In this framework, we learn prediction functions through empirical risk minimization over a reproducing kernel Hilbert space. The space is generated by a novel tensor product kernel which de…
Understanding Robust Machine Learning for Nonparametric Regression with Heavy-Tailed Noise
Department of Mathematics and Statistics, State University of New York at Albany（纽约州立大学阿尔巴尼分校数学与统计学系）；Department of Mathematics, University of Tennessee, Knoxville（田纳西大学基洛纳分校数学系）
Australian National University（澳大利亚国立大学）；The University of Tokyo（东京大学）；Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）；CISPA–Helmholtz Center for Information Security（CISPA亥姆霍兹信息安全中心）
We investigate a simple objective for nonlinear instrumental variable (IV) regression based on a kernelized conditional moment restriction (CMR) known as a maximum moment restriction (MMR). The MMR objective is formulated by maximizing the interaction between the residual and the instruments belonging to a unit ball in a reproducing kernel Hilbert space (RKHS). First, it allows us to simplify the IV regression as an empirical risk minimization problem, where the risk functional depends on the reproducing kernel on the instrument and can be estimated by a U-statistic or V-statistic. Second, bas…
Institute for Numerical Simulation, University of Bonn（数值模拟研究所，波恩大学）；Fraunhofer Institute for Algorithms and Scientific Computing SCAI（算法与科学计算弗劳恩霍夫研究所SCAI）
Boston University（波士顿大学）；The University of Sydney（悉尼大学）
We consider the regret minimization problem in reinforcement learning (RL) in the episodic setting. In many real-world RL environments, the state and action spaces are continuous or very large. Existing approaches establish regret guarantees by either a low-dimensional representation of the stochastic transition model or an approximation of the $Q$-functions. However, the understanding of function approximation schemes for state-value functions largely remains missing. In this paper, we propose an online model-based RL algorithm, namely the CME-RL, that learns representations of transition dis…
In this paper, we propose an R package, called RKHSMetaMod, that implements a procedure for estimating a meta-model of a complex model. The meta-model approximates the Hoeffding decomposition of the complex model and allows us to perform sensitivity analysis on it. It belongs to a reproducing kernel Hilbert space that is constructed as a direct sum of Hilbert spaces. The estimator of the meta-model is the solution of a penalized empirical least-squares minimization with the sum of the Hilbert norm and the empirical L^2-norm. This procedure, called RKHS ridge group sparse, allows both to select…
Several recent studies in privacy-preserving learning have considered the trade-off between utility or risk and the level of differential privacy guaranteed by mechanisms for statistical query processing. In this paper we study this trade-off in private Support Vector Machine (SVM) learning. We present two efficient mechanisms, one for the case of finite-dimensional feature mappings and one for potentially infinite-dimensional feature mappings with translation-invariant kernels. For the case of translation-invariant kernels, the proposed mechanism minimizes regularized empirical risk in a rand…
