In this paper, the flexibility, versatility and predictive power of kernel regression are combined with now lavishly available network data to create regression models with even greater predictive performances. Building from previous work featuring generalized linear models built in the presence of network cohesion data, we construct a kernelized extension that captures subtler nonlinearities in extremely high dimensional spaces and also produces far better predictive performances. Applications of seamless yet substantial adaptation to simulated and real-life data demonstrate the appeal and strength of our work.
We study the stability properties of nonlinear multi-task regression in reproducing Hilbert spaces with operator-valued kernels. Such kernels, a.k.a. multi-task kernels, are appropriate for learning prob- lems with nonscalar outputs like multi-task learning and structured out- put prediction. We show that multi-task kernel regression algorithms are uniformly stable in the general case of infinite-dimensional output spaces. We then derive under mild assumption on the kernel generaliza- tion bounds of such algorithms, and we show their consistency even with non Hilbert-Schmidt operator-valued ke…
We develop a multi-kernel based regression method for graph signal processing where the target signal is assumed to be smooth over a graph. In multi-kernel regression, an effective kernel function is expressed as a linear combination of many basis kernel functions. We estimate the linear weights to learn the effective kernel function by appropriate regularization based on graph smoothness. We show that the resulting optimization problem is shown to be convex and pro- pose an accelerated projected gradient descent based solution. Simulation results using real-world graph signals show efficiency…
The primary hyperparameter in kernel regression (KR) is the choice of kernel. In most theoretical studies of KR, one assumes the kernel is fixed before seeing the training data. Under this assumption, it is known that the optimal kernel is equal to the prior covariance of the target function. In this note, we consider KR in which the kernel may be updated after seeing the training data. We point out that an analogous choice of kernel using the posterior of the target function is optimal in this setting. Connections to the view of deep neural networks as data-dependent kernel learners are discu…
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…
We propose Bayesian extensions of two nonparametric regression methods which are kernel and mutual $k$-nearest neighbor regression methods. Derived based on Gaussian process models for regression, the extensions provide distributions for target value estimates and the framework to select the hyperparameters. It is shown that both the proposed methods asymptotically converge to kernel and mutual $k$-nearest neighbor regression methods, respectively. The simulation results show that the proposed methods can select proper hyperparameters and are better than or comparable to the former methods for…
Kernel regression is a popular non-parametric fitting technique. It aims at learning a function which estimates the targets for test inputs as precise as possible. Generally, the function value for a test input is estimated by a weighted average of the surrounding training examples. The weights are typically computed by a distance-based kernel function and they strongly depend on the distances between examples. In this paper, we first review the latest developments of sparse metric learning and kernel regression. Then a novel kernel regression method involving sparse metric learning, which is …
In this work, we demonstrate the advantage of the pGMM (``powered generalized min-max'') kernel in the context of (ridge) regression. In recent prior studies, the pGMM kernel has been extensively evaluated for classification tasks, for logistic regression, support vector machines, as well as deep neural networks. In this paper, we provide an experimental study on ridge regression, to compare the pGMM kernel regression with the ordinary ridge linear regression as well as the RBF kernel ridge regression. Perhaps surprisingly, even without a tuning parameter (i.e., $p=1$ for the power parameter o…
The objective of this study is to investigate the efficient determination of $C$ and $γ$ for Support Vector Regression with RBF or mahalanobis kernel based on numerical and statistician considerations, which indicates the connection between $C$ and kernels and demonstrates that the deviation of geometric distance of neighbour observation in mapped space effects the predict accuracy of $ε$-SVR. We determinate the arrange of $γ$ & $C$ and propose our method to choose their best values.
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…
School of Statistics and Data Science, Qufu Normal University（统计与数据科学学院，曲阜师范大学）；Dongfang College, ShanDong University of Finance and Economics（东方学院，山东财经大学）
Kernel logistic regression (KLR) is a powerful classification method widely applied across diverse domains. In many real-world scenarios, indefinite kernels capture more domain-specific structural information than positive definite kernels. This paper proposes a novel $L_1$-norm regularized indefinite kernel logistic regression (RIKLR) model, which extends the existing IKLR framework by introducing sparsity via an $L_1$-norm penalty. The introduction of this regularization enhances interpretability and generalization while introducing nonsmoothness and nonconvexity into the optimization landsc…
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…
Zhejiang University（浙江大学）；Fudan University（复旦大学）；Middle Tennessee State University（中田纳西州立大学）
Distributed learning is an effective way to analyze big data. In distributed regression, a typical approach is to divide the big data into multiple blocks, apply a base regression algorithm on each of them, and then simply average the output functions learnt from these blocks. Since the average process will decrease the variance, not the bias, bias correction is expected to improve the learning performance if the base regression algorithm is a biased one. Regularization kernel network is an effective and widely used method for nonlinear regression analysis. In this paper we will investigate a …
King Abdullah University of Science and Technology（阿卜杜拉国王科技大学）
This paper carries out a large dimensional analysis of a variation of kernel ridge regression that we call \emph{centered kernel ridge regression} (CKRR), also known in the literature as kernel ridge regression with offset. This modified technique is obtained by accounting for the bias in the regression problem resulting in the old kernel ridge regression but with \emph{centered} kernels. The analysis is carried out under the assumption that the data is drawn from a Gaussian distribution and heavily relies on tools from random matrix theory (RMT). Under the regime in which the data dimension a…
Conditional expectiles are becoming an increasingly important tool in finance as well as in other areas of applications. We analyse a support vector machine type approach for estimating conditional expectiles and establish learning rates that are minimax optimal modulo a logarithmic factor if Gaussian RBF kernels are used and the desired expectile is smooth in a Besov sense. As a special case, our learning rates improve the best known rates for kernel-based least squares regression in this scenario. Key ingredients of our statistical analysis are a general calibration inequality for the asymme…
In this paper, we provide a Banach-space formulation of supervised learning with generalized total-variation (gTV) regularization. We identify the class of kernel functions that are admissible in this framework. Then, we propose a variation of supervised learning in a continuous-domain hybrid search space with gTV regularization. We show that the solution admits a multi-kernel expansion with adaptive positions. In this representation, the number of active kernels is upper-bounded by the number of data points while the gTV regularization imposes an $\ell_1$ penalty on the kernel coefficients. F…
In presence of sparse noise we propose kernel regression for predicting output vectors which are smooth over a given graph. Sparse noise models the training outputs being corrupted either with missing samples or large perturbations. The presence of sparse noise is handled using appropriate use of $\ell_1$-norm along-with use of $\ell_2$-norm in a convex cost function. For optimization of the cost function, we propose an iteratively reweighted least-squares (IRLS) approach that is suitable for kernel substitution or kernel trick due to availability of a closed form solution. Simulations using r…
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…
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…
University College London（伦敦大学学院）；Italian Institute of Technology（意大利理工学院）
The problem of learning functions over spaces of probabilities - or distribution regression - is gaining significant interest in the machine learning community. A key challenge behind this problem is to identify a suitable representation capturing all relevant properties of the underlying functional mapping. A principled approach to distribution regression is provided by kernel mean embeddings, which lifts kernel-induced similarity on the input domain at the probability level. This strategy effectively tackles the two-stage sampling nature of the problem, enabling one to derive estimators with…
ONERA–The French Aerospace Lab（法国航空航天实验室（ONERA））；California Institute of Technology（加州理工学院）
This paper introduces algorithms to select/design kernels in Gaussian process regression/kriging surrogate modeling techniques. We adopt the setting of kernel method solutions in ad hoc functional spaces, namely Reproducing Kernel Hilbert Spaces (RKHS), to solve the problem of approximating a regular target function given observations of it, i.e. supervised learning. A first class of algorithms is kernel flow, which was introduced in the context of classification in machine learning. It can be seen as a cross-validation procedure whereby a "best" kernel is selected such that the loss of accura…
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…
Prediction of dynamical time series with additive noise using support vector machines or kernel based regression has been proved to be consistent for certain classes of discrete dynamical systems. Consistency implies that these methods are effective at computing the expected value of a point at a future time given the present coordinates. However, the present coordinates themselves are noisy, and therefore, these methods are not necessarily effective at removing noise. In this article, we consider denoising and prediction as separate problems for flows, as opposed to discrete time dynamical sy…
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 …
SZTAKI: Institute for Computer Science and Control（SZTAKI：计算机科学与控制研究所）；Eötvös Loránd Research Network（厄特沃什·罗兰研究网络）
In this paper we suggest two statistical hypothesis tests for the regression function of binary classification based on conditional kernel mean embeddings. The regression function is a fundamental object in classification as it determines both the Bayes optimal classifier and the misclassification probabilities. A resampling based framework is presented and combined with consistent point estimators of the conditional kernel mean map, in order to construct distribution-free hypothesis tests. These tests are introduced in a flexible manner allowing us to control the exact probability of type I e…
University of Genova（热那亚大学）；DeepMind Paris（DeepMind巴黎）；Istituto Italiano di Tecnologia（意大利理工学院）
We introduce ParK, a new large-scale solver for kernel ridge regression. Our approach combines partitioning with random projections and iterative optimization to reduce space and time complexity while provably maintaining the same statistical accuracy. In particular, constructing suitable partitions directly in the feature space rather than in the input space, we promote orthogonality between the local estimators, thus ensuring that key quantities such as local effective dimension and bias remain under control. We characterize the statistical-computational tradeoff of our model, and demonstrat…
Xi’an Jiaotong University（西安交通大学）；City University of Hong Kong（香港城市大学）
This paper focuses on generalization performance analysis for distributed algorithms in the framework of learning theory. Taking distributed kernel ridge regression (DKRR) for example, we succeed in deriving its optimal learning rates in expectation and providing theoretically optimal ranges of the number of local processors. Due to the gap between theory and experiments, we also deduce optimal learning rates for DKRR in probability to essentially reflect the generalization performance and limitations of DKRR. Furthermore, we propose a communication strategy to improve the learning performance…
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…
Laval University（拉瓦尔大学）；INRIA（法国国家信息与自动化研究所）；McGill University（麦吉尔大学）
We consider the problem of streaming kernel regression, when the observations arrive sequentially and the goal is to recover the underlying mean function, assumed to belong to an RKHS. The variance of the noise is not assumed to be known. In this context, we tackle the problem of tuning the regularization parameter adaptively at each time step, while maintaining tight confidence bounds estimates on the value of the mean function at each point. To this end, we first generalize existing results for finite-dimensional linear regression with fixed regularization and known variance to the kernel se…
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）
KU Leuven；University of California, Berkeley（加州大学伯克利分校）
In this paper, we provide a precise characterization of generalization properties of high dimensional kernel ridge regression across the under- and over-parameterized regimes, depending on whether the number of training data n exceeds the feature dimension d. By establishing a bias-variance decomposition of the expected excess risk, we show that, while the bias is (almost) independent of d and monotonically decreases with n, the variance depends on n, d and can be unimodal or monotonically decreasing under different regularization schemes. Our refined analysis goes beyond the double descent th…
Tsinghua University（清华大学）；The University of Arizona（亚利桑那大学）
The divide-and-conquer method has been widely used for estimating large-scale kernel ridge regression estimates. Unfortunately, when the response variable is highly skewed, the divide-and-conquer kernel ridge regression (dacKRR) may overlook the underrepresented region and result in unacceptable results. We combine a novel response-adaptive partition strategy with the oversampling technique synergistically to overcome the limitation. Through the proposed novel algorithm, we allocate some carefully identified informative observations to multiple nodes (local processors). Although the oversampli…
Technische Universität Darmstadt（达姆施塔特工业大学）；Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）
The Nadaraya-Watson kernel estimator is among the most popular nonparameteric regression technique thanks to its simplicity. Its asymptotic bias has been studied by Rosenblatt in 1969 and has been reported in a number of related literature. However, Rosenblatt's analysis is only valid for infinitesimal bandwidth. In contrast, we propose in this paper an upper bound of the bias which holds for finite bandwidths. Moreover, contrarily to the classic analysis we allow for discontinuous first order derivative of the regression function, we extend our bounds for multidimensional domains and we inclu…
Random binning features, introduced in the seminal paper of Rahimi and Recht (2007), are an efficient method for approximating a kernel matrix using locality sensitive hashing. Random binning features provide a very simple and efficient way of approximating the Laplace kernel but unfortunately do not apply to many important classes of kernels, notably ones that generate smooth Gaussian processes, such as the Gaussian kernel and Matern kernel. In this paper, we introduce a simple weighted version of random binning features and show that the corresponding kernel function generates Gaussian proce…
Large amounts of labeled data are typically required to train deep learning models. For many real-world problems, however, acquiring additional data can be expensive or even impossible. We present semi-supervised deep kernel learning (SSDKL), a semi-supervised regression model based on minimizing predictive variance in the posterior regularization framework. SSDKL combines the hierarchical representation learning of neural networks with the probabilistic modeling capabilities of Gaussian processes. By leveraging unlabeled data, we show improvements on a diverse set of real-world regression tas…
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 …
In this paper, we propose a random projection approach to estimate variance in kernel ridge regression. Our approach leads to a consistent estimator of the true variance, while being computationally more efficient. Our variance estimator is optimal for a large family of kernels, including cubic splines and Gaussian kernels. Simulation analysis is conducted to support our theory.
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…
Kernel based methods including Gaussian process regression (GPR) and generally kernel ridge regression (KRR) have been finding increasing use in computational chemistry, including the fitting of potential energy surfaces and density functionals in high-dimensional feature spaces. Kernels of the Matern family such as Gaussian-like kernels (basis functions) are often used, which allows imparting them the meaning of covariance functions and formulating GPR as an estimator of the mean of a Gaussian distribution. The notion of locality of the kernel is critical for this interpretation. It is also c…
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…
Image Processing Lab (IPL), Universitat de Val\`encia, Val\`encia, Spain
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.
Gaussian process regression generally does not scale to beyond a few thousands data points without applying some sort of kernel approximation method. Most approximations focus on the high eigenvalue part of the spectrum of the kernel matrix, $K$, which leads to bad performance when the length scale of the kernel is small. In this paper we introduce Multiresolution Kernel Approximation (MKA), the first true broad bandwidth kernel approximation algorithm. Important points about MKA are that it is memory efficient, and it is a direct method, which means that it also makes it easy to approximate $…
Asymptotic Optimism of Random-Design Linear and Kernel Regression Models
Department of Statistics, Rice University（里士大学统计系）；Lawrence Berkeley National Laboratory（伯克利国家实验室）；Amazon（亚马逊公司）；Department of Statistics, the Ohio State University（俄亥俄州立大学统计系）
Additive models play an important role in semiparametric statistics. This paper gives learning rates for regularized kernel based methods for additive models. These learning rates compare favourably in particular in high dimensions to recent results on optimal learning rates for purely nonparametric regularized kernel based quantile regression using the Gaussian radial basis function kernel, provided the assumption of an additive model is valid. Additionally, a concrete example is presented to show that a Gaussian function depending only on one variable lies in a reproducing kernel Hilbert spa…
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…
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…
