This paper introduces a novel statistical regression framework that allows the incorporation of consistency constraints. A linear and nonlinear (kernel-based) formulation are introduced, and both imply closed-form analytical solutions. The models exploit all the information from a set of drivers while being maximally independent of a set of auxiliary, protected variables. We successfully illustrate the performance in the estimation of chlorophyll content.
In recent years, there have been significant efforts on mitigating unethical demographic biases in machine learning methods. However, very little is done for kernel methods. In this paper, we propose a new fair kernel regression method via fair feature embedding (FKR-F$^2$E) in kernel space. Motivated by prior works on feature selection in kernel space and feature processing for fair machine learning, we propose to learn fair feature embedding functions that minimize demographic discrepancy of feature distributions in kernel space. Compared to the state-of-the-art fair kernel regression method…
Tree based ensembles such as Breiman's random forest (RF) and Gradient Boosted Trees (GBT) can be interpreted as implicit kernel generators, where the ensuing proximity matrix represents the data-driven tree ensemble kernel. Kernel perspective on the RF has been used to develop a principled framework for theoretical investigation of its statistical properties. Recently, it has been shown that the kernel interpretation is germane to other tree-based ensembles e.g. GBTs. However, practical utility of the links between kernels and the tree ensembles has not been widely explored and systematically…
Kernel methods have had great success in Statistics and Machine Learning. Despite their growing popularity, however, less effort has been drawn towards developing kernel based classification methods on Riemannian manifolds due to difficulty in dealing with non-Euclidean geometry. In this paper, motivated by the extrinsic framework of manifold-valued data analysis, we propose a new positive definite kernel on planar Kendall shape space $Σ_2^k$, called extrinsic Veronese Whitney Gaussian kernel. We show that our approach can be extended to develop Gaussian kernels on any embedded manifold. Furth…
Needlets have been recognized as state-of-the-art tools to tackle spherical data, due to their excellent localization properties in both spacial and frequency domains. This paper considers developing kernel methods associated with the needlet kernel for nonparametric regression problems whose predictor variables are defined on a sphere. Due to the localization property in the frequency domain, we prove that the regularization parameter of the kernel ridge regression associated with the needlet kernel can decrease arbitrarily fast. A natural consequence is that the regularization term for the k…
Many machine learning problems can be formulated as predicting labels for a pair of objects. Problems of that kind are often referred to as pairwise learning, dyadic prediction or network inference problems. During the last decade kernel methods have played a dominant role in pairwise learning. They still obtain a state-of-the-art predictive performance, but a theoretical analysis of their behavior has been underexplored in the machine learning literature. In this work we review and unify existing kernel-based algorithms that are commonly used in different pairwise learning settings, ranging f…
We study the Stochastic Gradient Descent (SGD) algorithm in nonparametric statistics: kernel regression in particular. The directional bias property of SGD, which is known in the linear regression setting, is generalized to the kernel regression. More specifically, we prove that SGD with moderate and annealing step-size converges along the direction of the eigenvector that corresponds to the largest eigenvalue of the Gram matrix. In addition, the Gradient Descent (GD) with a moderate or small step-size converges along the direction that corresponds to the smallest eigenvalue. These facts are r…
Shanghai Jiao Tong University（上海交通大学）；Nanjing University of Science and Technology（南京理工大学）；KU Leuven（鲁汶大学）
In kernel methods, the kernels are often required to be positive definite, which restricts the use of many indefinite kernels. To consider those non-positive definite kernels, in this paper, we aim to build an indefinite kernel learning framework for kernel logistic regression. The proposed indefinite kernel logistic regression (IKLR) model is analysed in the Reproducing Kernel Kre\uın Spaces (RKKS) and then becomes non-convex. Using the positive decomposition of a non-positive definite kernel, the derived IKLR model can be decomposed into the difference of two convex functions. Accordingly, a…
Associating genetic markers with a multidimensional phenotype is an important yet challenging problem. In this work, we establish the equivalence between two popular methods: kernel-machine regression (KMR), and kernel distance covariance (KDC). KMR is a semiparametric regression frameworks that models the covariate effects parametrically, while the genetic markers are considered non-parametrically. KDC represents a class of methods that includes distance covariance (DC) and Hilbert-Schmidt Independence Criterion (HSIC), which are nonparametric tests of independence. We show the equivalence be…
Universitat Politècnica de Catalunya-Barcelona Tech（加泰罗尼亚理工大学-巴塞罗那理工大学）；University of Minnesota（明尼苏达大学）
Matrix completion and extrapolation (MCEX) are dealt with here over reproducing kernel Hilbert spaces (RKHSs) in order to account for prior information present in the available data. Aiming at a faster and low-complexity solver, the task is formulated as a kernel ridge regression. The resultant MCEX algorithm can also afford online implementation, while the class of kernel functions also encompasses several existing approaches to MC with prior information. Numerical tests on synthetic and real datasets show that the novel approach performs faster than widespread methods such as alternating lea…
Breiman's random forest (RF) can be interpreted as an implicit kernel generator,where the ensuing proximity matrix represents the data-driven RF kernel. Kernel perspective on the RF has been used to develop a principled framework for theoretical investigation of its statistical properties. However, practical utility of the links between kernels and the RF has not been widely explored and systematically evaluated.Focus of our work is investigation of the interplay between kernel methods and the RF. We elucidate the performance and properties of the data driven RF kernels used by regularized lin…
In this paper, we consider the coefficient-based regularized distribution regression which aims to regress from probability measures to real-valued responses over a reproducing kernel Hilbert space (RKHS), where the regularization is put on the coefficients and kernels are assumed to be indefinite. The algorithm involves two stages of sampling, the first stage sample consists of distributions and the second stage sample is obtained from these distributions. Asymptotic behaviors of the algorithm in different regularity ranges of the regression function are comprehensively studied and learning r…
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…
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…
University of Seville（塞维利亚大学）；University Carlos III de Madrid（马德里卡洛斯三世大学）
Usually, complex-valued RKHS are presented as an straightforward application of the real-valued case. In this paper we prove that this procedure yields a limited solution for regression. We show that another kernel, here denoted as pseudo kernel, is needed to learn any function in complex-valued fields. Accordingly, we derive a novel RKHS to include it, the widely RKHS (WRKHS). When the pseudo-kernel cancels, WRKHS reduces to complex-valued RKHS of previous approaches. We address the kernel and pseudo-kernel design, paying attention to the kernel and the pseudo-kernel being complex-valued. In …
University of Jinan（济南大学）；Middle Tennessee State University（中田纳西州立大学）
Distributed machine learning systems have been receiving increasing attentions for their efficiency to process large scale data. Many distributed frameworks have been proposed for different machine learning tasks. In this paper, we study the distributed kernel regression via the divide and conquer approach. This approach has been proved asymptotically minimax optimal if the kernel is perfectly selected so that the true regression function lies in the associated reproducing kernel Hilbert space. However, this is usually, if not always, impractical because kernels that can only be selected via p…
Federal University of Bahia（巴伊亚联邦大学）；Federal Institute of Pernambuco（伯南布哥联邦学院）；University of São Paulo（圣保罗大学）
Machine learning techniques always aim to reduce the generalized prediction error. In order to reduce it, ensemble methods present a good approach combining several models that results in a greater forecasting capacity. The Random Machines already have been demonstrated as strong technique, i.e: high predictive power, to classification tasks, in this article we propose an procedure to use the bagged-weighted support vector model to regression problems. Simulation studies were realized over artificial datasets, and over real data benchmarks. The results exhibited a good performance of Regressio…
We consider the task of robust non-linear regression in the presence of both inlier noise and outliers. Assuming that the unknown non-linear function belongs to a Reproducing Kernel Hilbert Space (RKHS), our goal is to estimate the set of the associated unknown parameters. Due to the presence of outliers, common techniques such as the Kernel Ridge Regression (KRR) or the Support Vector Regression (SVR) turn out to be inadequate. Instead, we employ sparse modeling arguments to explicitly model and estimate the outliers, adopting a greedy approach. The proposed robust scheme, i.e., Kernel Greedy…
Nonparametric Instrumental Regression via Kernel Methods is Minimax Optimal
Mingdu Technology, Hangzhou（明度科技，杭州）；Department of Economics, Yale University, New Haven（耶鲁大学经济系，纽黑文）；Gatsby Computational Neuroscience Unit, University College London, London（伦敦大学学院盖茨比计算神经科学单元，伦敦）
This is a note on logistic regression models and logistic kernel machine models. It contains derivations to some of the expressions in a paper -- SNP Set Analysis for Detecting Disease Association Using Exon Sequence Data -- submitted to BMC proceedings by these authors.
In this article, we consider convergence rates in functional linear regression with functional responses, where the linear coefficient lies in a reproducing kernel Hilbert space (RKHS). Without assuming that the reproducing kernel and the covariate covariance kernel are aligned, or assuming polynomial rate of decay of the eigenvalues of the covariance kernel, convergence rates in prediction risk are established. The corresponding lower bound in rates is derived by reducing to the scalar response case. Simulation studies and two benchmark datasets are used to illustrate that the proposed approa…
Google Research（谷歌研究院）；University of Cambridge（剑桥大学）
Neural kernels have drastically increased performance on diverse and nonstandard data modalities but require significantly more compute, which previously limited their application to smaller datasets. In this work, we address this by massively parallelizing their computation across many GPUs. We combine this with a distributed, preconditioned conjugate gradients algorithm to enable kernel regression at a large scale (i.e. up to five million examples). Using this approach, we study scaling laws of several neural kernels across many orders of magnitude for the CIFAR-5m dataset. Using data augmen…
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…
Kernel ridge regression (KRR) is a standard method for performing non-parametric regression over reproducing kernel Hilbert spaces. Given $n$ samples, the time and space complexity of computing the KRR estimate scale as $\mathcal{O}(n^3)$ and $\mathcal{O}(n^2)$ respectively, and so is prohibitive in many cases. We propose approximations of KRR based on $m$-dimensional randomized sketches of the kernel matrix, and study how small the projection dimension $m$ can be chosen while still preserving minimax optimality of the approximate KRR estimate. For various classes of randomized sketches, inclu…
Regularization schemes for regression have been widely studied in learning theory and inverse problems. In this paper, we study distribution regression (DR) which involves two stages of sampling, and aims at regressing from probability measures to real-valued responses over a reproducing kernel Hilbert space (RKHS). Recently, theoretical analysis on DR has been carried out via kernel ridge regression and several learning behaviors have been observed. However, the topic has not been explored and understood beyond the least square based DR. By introducing a robust loss function $l_σ$ for two-sta…
In real word applications, data generating process for training a machine learning model often differs from what the model encounters in the test stage. Understanding how and whether machine learning models generalize under such distributional shifts have been a theoretical challenge. Here, we study generalization in kernel regression when the training and test distributions are different using methods from statistical physics. Using the replica method, we derive an analytical formula for the out-of-distribution generalization error applicable to any kernel and real datasets. We identify an ov…
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…
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…
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…
In this paper, we introduce a new distribution regression model for probability distributions. This model is based on a Reproducing Kernel Hilbert Space (RKHS) regression framework, where universal kernels are built using Wasserstein distances for distributions belonging to W 2 ($Ω$) and $Ω$ is a compact subspace of R. We prove the universal kernel property of such kernels and use this setting to perform regressions on functions. Different regression models are first compared with the proposed one on simulated functional data. We then apply our regression model to transient evoked otoascoutic …
The goal of nonparametric regression is to recover an underlying regression function from noisy observations, under the assumption that the regression function belongs to a pre-specified infinite dimensional function space. In the online setting, when the observations come in a stream, it is generally computationally infeasible to refit the whole model repeatedly. There are as of yet no methods that are both computationally efficient and statistically rate-optimal. In this paper, we propose an estimator for online nonparametric regression. Notably, our estimator is an empirical risk minimizer …
Tel Aviv University（特拉维夫大学）；EPFL（洛桑联邦理工学院）；MIT（麻省理工学院）
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…
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…
We address the problem of filling missing entries in a kernel Gram matrix, given a related full Gram matrix. We attack this problem from the viewpoint of regression, assuming that the two kernel matrices can be considered as explanatory variables and response variables, respectively. We propose a variant of the regression model based on the underlying features in the reproducing kernel Hilbert space by modifying the idea of kernel canonical correlation analysis, and we estimate the missing entries by fitting this model to the existing samples. We obtain promising experimental results on gene n…
Kernel ridge regression is an important nonparametric method for estimating smooth functions. We introduce a new set of conditions, under which the actual rates of convergence of the kernel ridge regression estimator under both the L_2 norm and the norm of the reproducing kernel Hilbert space exceed the standard minimax rates. An application of this theory leads to a new understanding of the Kennedy-O'Hagan approach for calibrating model parameters of computer simulation. We prove that, under certain conditions, the Kennedy-O'Hagan calibration estimator with a known covariance function converg…
Despite its importance, choosing the structural form of the kernel in nonparametric regression remains a black art. We define a space of kernel structures which are built compositionally by adding and multiplying a small number of base kernels. We present a method for searching over this space of structures which mirrors the scientific discovery process. The learned structures can often decompose functions into interpretable components and enable long-range extrapolation on time-series datasets. Our structure search method outperforms many widely used kernels and kernel combination methods on …
Tsinghua University（清华大学）；University of Oxford（牛津大学）
Learning causal relationships is a fundamental problem in science. Anchor regression has been developed to address this problem for a large class of causal graphical models, though the relationships between the variables are assumed to be linear. In this work, we tackle the nonlinear setting by proposing kernel anchor regression (KAR). Beyond the natural formulation using a classic two-stage least square estimator, we also study an improved variant that involves nonparametric regression in three separate stages. We provide convergence results for the proposed KAR estimators and the identifiabi…
Imputation is a popular technique for handling missing data. We consider a nonparametric approach to imputation using the kernel ridge regression technique and propose consistent variance estimation. The proposed variance estimator is based on a linearization approach which employs the entropy method to estimate the density ratio. The root-n consistency of the imputation estimator is established when a Sobolev space is utilized in the kernel ridge regression imputation, which enables us to develop the proposed variance estimator. Synthetic data experiments are presented to confirm our theory.
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…
Gaussian process regression (GPR) model is a popular nonparametric regression model. In GPR, features of the regression function such as varying degrees of smoothness and periodicities are modeled through combining various covarinace kernels, which are supposed to model certain effects. The covariance kernels have unknown parameters which are estimated by the EM-algorithm or Markov Chain Monte Carlo. The estimated parameters are keys to the inference of the features of the regression functions, but identifiability of these parameters has not been investigated. In this paper, we prove identifia…
We review recent advances in modal regression studies using kernel density estimation. Modal regression is an alternative approach for investigating relationship between a response variable and its covariates. Specifically, modal regression summarizes the interactions between the response variable and covariates using the conditional mode or local modes. We first describe the underlying model of modal regression and its estimators based on kernel density estimation. We then review the asymptotic properties of the estimators and strategies for choosing the smoothing bandwidth. We also discuss u…
In this paper we propose a variable bandwidth kernel regression estimator for $i.i.d.$ observations in $\mathbb{R}^2$ to improve the classical Nadaraya-Watson estimator. The bias is improved to the order of $O(h_n^4)$ under the condition that the fifth order derivative of the density function and the sixth order derivative of the regression function are bounded and continuous. We also establish the central limit theorems for the proposed ideal and true variable kernel regression estimators. The simulation study confirms our results and demonstrates the advantage of the variable bandwidth kerne…
The Clinical Hospital of Chengdu Brain Science Institute（成都脑科学研究院临床医院）；University of Electronic Science and Technology of China（电子科技大学）；Cuban Center for Neuroscience（古巴神经科学中心）
Kernel smooth is the most fundamental technique for data density and regression estimation. However, time-consuming is the biggest obstacle for the application that the direct evaluation of kernel smooth for $N$ samples needs ${O}\left( {{N}^{2}} \right)$ operations. People have developed fast smooth algorithms using the idea of binning with FFT. Unfortunately, the accuracy is not controllable, and the implementation for multivariable and its bandwidth selection for the fast method is not available. Hence, we introduce a new MATLAB toolbox for fast multivariate kernel regression with the idea …
University of Wisconsin, Madison（威斯康星大学麦迪逊分校）；National University of Singapore（新加坡国立大学）；Seoul National University（首尔大学）
We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel regression is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. Unlike many previous partial differential equation based approaches involving diffusion, our approach represents the solution of diffus…
Kernel smoothers are considered near the boundary of the interval. Kernels which minimize the expected mean square error are derived. These kernels are equivalent to using a linear weighting function in the local polynomial regression. It is shown that any kernel estimator that satisfies the moment conditions up to order $m$ is equivalent to a local polynomial regression of order $m$ with some non-negative weight function if and only if the kernel has at most $m$ sign changes. A fast algorithm is proposed for computing the kernel estimate in the boundary region for an arbitrary placement of da…
In the multivariate regression, also referred to as multi-task learning in machine learning, the goal is to recover a vector-valued function based on noisy observations. The vector-valued function is often assumed to be of low rank. Although the multivariate linear regression is extensively studied in the literature, a theoretical study on the multivariate nonlinear regression is lacking. In this paper, we study reduced rank multivariate kernel ridge regression, proposed by \cite{mukherjee2011reduced}. We prove the consistency of the function predictor and provide the convergence rate. An algo…
