This paper focuses on parameter selection issues of kernel ridge regression (KRR). Due to special spectral properties of KRR, we find that delicate subdivision of the parameter interval shrinks the difference between two successive KRR estimates. Based on this observation, we develop an early-stopping type parameter selection strategy for KRR according to the so-called Lepskii-type principle. Theoretical verifications are presented in the framework of learning theory to show that KRR equipped with the proposed parameter selection strategy succeeds in achieving optimal learning rates and adapts to different norms, providing a new record of parameter selection for kernel methods.
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…
We establish optimal convergence rates for a decomposition-based scalable approach to kernel ridge regression. The method is simple to describe: it randomly partitions a dataset of size N into m subsets of equal size, computes an independent kernel ridge regression estimator for each subset, then averages the local solutions into a global predictor. This partitioning leads to a substantial reduction in computation time versus the standard approach of performing kernel ridge regression on all N samples. Our two main theorems establish that despite the computational speed-up, statistical optimal…
Amazon（亚马逊）；University of Oxford（牛津大学）；University of Pennsylvania（宾夕法尼亚大学）；Oxford University（牛津大学）
Methods for learning from data depend on various types of tuning parameters, such as penalization strength or step size. Since performance can depend strongly on these parameters, it is important to compare classes of estimators-by considering prescribed finite sets of tuning parameters-not just particularly tuned methods. In this work, we investigate classes of methods via the relative performance of the best method in the class. We consider the central problem of linear regression-with a random isotropic ground truth-and investigate the estimation performance of two fundamental methods, grad…
Kernel ridge regression (KRR) has recently attracted renewed interest due to its potential for explaining the transient effects, such as double descent, that emerge during neural network training. In this work, we study how the alignment between the target function and the kernel affects the performance of the KRR. We focus on the truncated KRR (TKRR) which utilizes an additional parameter that controls the spectral truncation of the kernel matrix. We show that for polynomial alignment, there is an \emph{over-aligned} regime, in which TKRR can achieve a faster rate than what is achievable by f…
We consider the problem of online linear regression in the stochastic setting. We derive high probability regret bounds for online ridge regression and the forward algorithm. This enables us to compare online regression algorithms more accurately and eliminate assumptions of bounded observations and predictions. Our study advocates for the use of the forward algorithm in lieu of ridge due to its enhanced bounds and robustness to the regularization parameter. Moreover, we explain how to integrate it in algorithms involving linear function approximation to remove a boundedness assumption without…
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…
Characterization of local minima draws much attention in theoretical studies of deep learning. In this study, we investigate the distribution of parameters in an over-parametrized finite neural network trained by ridge regularized empirical square risk minimization (RERM). We develop a new theory of ridgelet transform, a wavelet-like integral transform that provides a powerful and general framework for the theoretical study of neural networks involving not only the ReLU but general activation functions. We show that the distribution of the parameters converges to a spectrum of the ridgelet tra…
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…
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 sketched approximate matrix multiplication and ridge regression in the novel setting of localized sketching, where at any given point, only part of the data matrix is available. This corresponds to a block diagonal structure on the sketching matrix. We show that, under mild conditions, block diagonal sketching matrices require only O(stable rank / ε^2) and $O( stat. dim. ε)$ total sample complexity for matrix multiplication and ridge regression, respectively. This matches the state-of-the-art bounds that are obtained using global sketching matrices. The localized nature of sketchin…
We consider the problem of estimating a meta-model of an unknown regression model with non-Gaussian and non-bounded error. The meta-model belongs to a reproducing kernel Hilbert space constructed as a direct sum of Hilbert spaces leading to an additive decomposition including the variables and interactions between them. The estimator of this meta-model is calculated by minimizing an empirical least-squares criterion penalized by the sum of the Hilbert norm and the empirical $L^2$-norm. In this context, the upper bounds of the empirical $L^2$ risk and the $L^2$ risk of the estimator are establi…
This paper characterizes the conditional distribution properties of the finite sample ridge regression estimator and uses that result to evaluate total regression and generalization errors that incorporate the inaccuracies committed at the time of parameter estimation. The paper provides explicit formulas for those errors. Unlike other classical references in this setup, our results take place in a fully singular setup that does not assume the existence of a solution for the non-regularized regression problem. In exchange, we invoke a conditional homoscedasticity hypothesis on the regularized …
We introduce single-set spectral sparsification as a deterministic sampling based feature selection technique for regularized least squares classification, which is the classification analogue to ridge regression. The method is unsupervised and gives worst-case guarantees of the generalization power of the classification function after feature selection with respect to the classification function obtained using all features. We also introduce leverage-score sampling as an unsupervised randomized feature selection method for ridge regression. We provide risk bounds for both single-set spectral …
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…
Institute of Information Engineering, Chinese Academy of Sciences（中国科学院信息工程研究所）；Gaoling School of Artificial Intelligence, Renmin University of China（中国人民大学高瓴人工智能学院）；School of Mathematics and Information Sciences, Yantai University（烟台大学数学与信息科学学院）
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…
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…
EPFL（洛桑联邦理工学院）；Institute of Physics, EPFL（洛桑联邦理工学院物理研究所）
Recently, several theories including the replica method made predictions for the generalization error of Kernel Ridge Regression. In some regimes, they predict that the method has a `spectral bias': decomposing the true function $f^*$ on the eigenbasis of the kernel, it fits well the coefficients associated with the O(P) largest eigenvalues, where $P$ is the size of the training set. This prediction works very well on benchmark data sets such as images, yet the assumptions these approaches make on the data are never satisfied in practice. To clarify when the spectral bias prediction holds, we …
In this paper, we investigate a divide and conquer approach to Kernel Ridge Regression (KRR). Given n samples, the division step involves separating the points based on some underlying disjoint partition of the input space (possibly via clustering), and then computing a KRR estimate for each partition. The conquering step is simple: for each partition, we only consider its own local estimate for prediction. We establish conditions under which we can give generalization bounds for this estimator, as well as achieve optimal minimax rates. We also show that the approximation error component of th…
Università degli Studi di Genova（热那亚大学）；Massachusetts Institute of Technology（麻省理工学院）；Istituto Italiano di Tecnologia（意大利理工学院）
Kernel methods provide a principled approach to nonparametric learning. While their basic implementations scale poorly to large problems, recent advances showed that approximate solvers can efficiently handle massive datasets. A shortcoming of these solutions is that hyperparameter tuning is not taken care of, and left for the user to perform. Hyperparameters are crucial in practice and the lack of automated tuning greatly hinders efficiency and usability. In this paper, we work to fill in this gap focusing on kernel ridge regression based on the Nyström approximation. After reviewing and cont…
By using the framework of Determinantal Point Processes (DPPs), some theoretical results concerning the interplay between diversity and regularization can be obtained. In this paper we show that sampling subsets with kDPPs results in implicit regularization in the context of ridgeless Kernel Regression. Furthermore, we leverage the common setup of state-of-the-art DPP algorithms to sample multiple small subsets and use them in an ensemble of ridgeless regressions. Our first empirical results indicate that ensemble of ridgeless regressors can be interesting to use for datasets including redunda…
University of Michigan（密歇根大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
We present memory-efficient and scalable algorithms for kernel methods used in machine learning. Using hierarchical matrix approximations for the kernel matrix the memory requirements, the number of floating point operations, and the execution time are drastically reduced compared to standard dense linear algebra routines. We consider both the general $\mathcal{H}$ matrix hierarchical format as well as Hierarchically Semi-Separable (HSS) matrices. Furthermore, we investigate the impact of several preprocessing and clustering techniques on the hierarchical matrix compression. Effective clusteri…
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.
CREST（经济与统计研究中心）；ENSAE（法国国立统计与经济管理学院）；Istituto Italiano di Tecnologia（意大利理工学院）；MIT（麻省理工学院）
In this note, we provide an elementary analysis of the prediction error of ridge regression with random design. The proof is short and self-contained. In particular, it bypasses the use of Rudelson's deviation inequality for covariance matrices, through a combination of exchangeability arguments, matrix perturbation and operator convexity.
University of Chicago, Booth School of Business（芝加哥大学布斯商学院）；Massachusetts Institute of Technology（麻省理工学院）
In the absence of explicit regularization, Kernel "Ridgeless" Regression with nonlinear kernels has the potential to fit the training data perfectly. It has been observed empirically, however, that such interpolated solutions can still generalize well on test data. We isolate a phenomenon of implicit regularization for minimum-norm interpolated solutions which is due to a combination of high dimensionality of the input data, curvature of the kernel function, and favorable geometric properties of the data such as an eigenvalue decay of the empirical covariance and kernel matrices. In addition t…
Computer Learning Research Centre（计算机学习研究中心）；Royal Holloway, University of London（伦敦大学皇家霍洛威学院）
This paper derives an identity connecting the square loss of ridge regression in on-line mode with the loss of the retrospectively best regressor. Some corollaries about the properties of the cumulative loss of on-line ridge regression are also obtained.
In many areas, practitioners need to analyze large datasets that challenge conventional single-machine computing. To scale up data analysis, distributed and parallel computing approaches are increasingly needed. Here we study a fundamental and highly important problem in this area: How to do ridge regression in a distributed computing environment? Ridge regression is an extremely popular method for supervised learning, and has several optimality properties, thus it is important to study. We study one-shot methods that construct weighted combinations of ridge regression estimators computed on e…
We develop a novel preconditioning method for ridge regression, based on recent linear sketching methods. By equipping Stochastic Variance Reduced Gradient (SVRG) with this preconditioning process, we obtain a significant speed-up relative to fast stochastic methods such as SVRG, SDCA and SAG.
Columbia University（哥伦比亚大学）；Microsoft Research（微软研究院）；Rutgers University（罗格斯大学）
This work gives a simultaneous analysis of both the ordinary least squares estimator and the ridge regression estimator in the random design setting under mild assumptions on the covariate/response distributions. In particular, the analysis provides sharp results on the ``out-of-sample'' prediction error, as opposed to the ``in-sample'' (fixed design) error. The analysis also reveals the effect of errors in the estimated covariance structure, as well as the effect of modeling errors, neither of which effects are present in the fixed design setting. The proofs of the main results are based on a…
Data Science Research Center, Department of Computer Science, Chiang Mai University（清迈大学计算机科学系数据科学研究中心）；Chiang Mai University（清迈大学）
Ridge regression is a well established regression estimator which can conveniently be adapted for classification problems. One compelling reason is probably the fact that ridge regression emits a closed-form solution thereby facilitating the training phase. However in the case of high-dimensional problems, the closed-form solution which involves inverting the regularised covariance matrix is rather expensive to compute. The high computational demand of such operation also renders difficulty in constructing ensemble of ridge regressions. In this paper, we consider learning an ensemble of ridge …
Technion — Israel Institute of Technology（以色列理工学院）
We consider the most common variants of linear regression, including Ridge, Lasso and Support-vector regression, in a setting where the learner is allowed to observe only a fixed number of attributes of each example at training time. We present simple and efficient algorithms for these problems: for Lasso and Ridge regression they need the same total number of attributes (up to constants) as do full-information algorithms, for reaching a certain accuracy. For Support-vector regression, we require exponentially less attributes compared to the state of the art. By that, we resolve an open proble…
I propose kernel ridge regression estimators for nonparametric dose response curves and semiparametric treatment effects in the setting where an analyst has access to a selected sample rather than a random sample; only for select observations, the outcome is observed. I assume selection is as good as random conditional on treatment and a sufficiently rich set of observed covariates, where the covariates are allowed to cause treatment or be caused by treatment -- an extension of missingness-at-random (MAR). I propose estimators of means, increments, and distributions of counterfactual outcomes …
In supervised batch learning, the predictive normalized maximum likelihood (pNML) has been proposed as the min-max regret solution for the distribution-free setting, where no distributional assumptions are made on the data. However, the pNML is not defined for a large capacity hypothesis class as over-parameterized linear regression. For a large class, a common approach is to use regularization or a model prior. In the context of online prediction where the min-max solution is the Normalized Maximum Likelihood (NML), it has been suggested to use NML with ``luckiness'': A prior-like function is…
The University of Washington eScience Institute（华盛顿大学电子科学研究所）；University of Washington（华盛顿大学）；Center for Magnetic Resonance Research（磁共振研究中心）；University of Minnesota（明尼苏达大学）
Ridge regression (RR) is a regularization technique that penalizes the L2-norm of the coefficients in linear regression. One of the challenges of using RR is the need to set a hyperparameter ($α$) that controls the amount of regularization. Cross-validation is typically used to select the best $α$ from a set of candidates. However, efficient and appropriate selection of $α$ can be challenging, particularly where large amounts of data are analyzed. Because the selected $α$ depends on the scale of the data and predictors, it is not straightforwardly interpretable. Here, we propose to reparameter…
Despite its impressive theory \& practical performance, Frequent Directions (\acrshort{fd}) has not been widely adopted for large-scale regression tasks. Prior work has shown randomized sketches (i) perform worse in estimating the covariance matrix of the data than \acrshort{fd}; (ii) incur high error when estimating the bias and/or variance on sketched ridge regression. We give the first constant factor relative error bounds on the bias \& variance for sketched ridge regression using \acrshort{fd}. We complement these statistical results by showing that \acrshort{fd} can be used in the optimi…
Conformal prediction is a method of producing prediction sets that can be applied on top of a wide range of prediction algorithms. The method has a guaranteed coverage probability under the standard IID assumption regardless of whether the assumptions (often considerably more restrictive) of the underlying algorithm are satisfied. However, for the method to be really useful it is desirable that in the case where the assumptions of the underlying algorithm are satisfied, the conformal predictor loses little in efficiency as compared with the underlying algorithm (whereas being a conformal predi…
