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 contrasting a number of hyperparameter tuning strategies, we propose a complexity regularization criterion based on a data dependent penalty, and discuss its efficient optimization. Then, we proceed to a careful and extensive empirical evaluation highlighting strengths and weaknesses of the different tuning strategies. Our analysis shows the benefit of the proposed approach, that we hence incorporate in a library for large scale kernel methods to derive adaptively tuned solutions.
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…
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…
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…
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…
Kernel method-based one-class classifier is mainly used for outlier or novelty detection. In this letter, kernel ridge regression (KRR) based one-class classifier (KOC) has been extended for learning using privileged information (LUPI). LUPI-based KOC method is referred to as KOC+. This privileged information is available as a feature with the dataset but only for training (not for testing). KOC+ utilizes the privileged information differently compared to normal feature information by using a so-called correction function. Privileged information helps KOC+ in achieving better generalization pe…
This paper 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 …
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）
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…
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 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…
Penn State University（宾夕法尼亚州立大学）；UC Berkeley（加州大学伯克利分校）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
Computational efficiency is an important consideration for deploying machine learning models for time series prediction in an online setting. Machine learning algorithms adjust model parameters automatically based on the data, but often require users to set additional parameters, known as hyperparameters. Hyperparameters can significantly impact prediction accuracy. Traffic measurements, typically collected online by sensors, are serially correlated. Moreover, the data distribution may change gradually. A typical adaptation strategy is periodically re-tuning the model hyperparameters, at the c…
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 …
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…
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…
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…
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…
The large amount of online data and vast array of computing resources enable current researchers in both industry and academia to employ the power of deep learning with neural networks. While deep models trained with massive amounts of data demonstrate promising generalisation ability on unseen data from relevant domains, the computational cost of finetuning gradually becomes a bottleneck in transfering the learning to new domains. We address this issue by leveraging the low-rank property of learnt feature vectors produced from deep neural networks (DNNs) with the closed-form solution provided…
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.
Nara Institute of Science and Technology（奈良先端科学技术大学院大学）；The Institute of Statistical Mathematics（统计数学研究所）；National Institute of Genetics（国立遗传学研究所）
This paper discusses the effect of hubness in zero-shot learning, when ridge regression is used to find a mapping between the example space to the label space. Contrary to the existing approach, which attempts to find a mapping from the example space to the label space, we show that mapping labels into the example space is desirable to suppress the emergence of hubs in the subsequent nearest neighbor search step. Assuming a simple data model, we prove that the proposed approach indeed reduces hubness. This was verified empirically on the tasks of bilingual lexicon extraction and image labeling…
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…
Indian Institute of Technology Indore（印度理工学院印多尔分校）；Nanyang Technological University（南洋理工大学）；Aarhus University（奥胡斯大学）
In this paper, a multi-layer architecture (in a hierarchical fashion) by stacking various Kernel Ridge Regression (KRR) based Auto-Encoder for one-class classification is proposed and is referred as MKOC. MKOC has many layers of Auto-Encoders to project the input features into new feature space and the last layer was regression based one class classifier. The Auto-Encoders use an unsupervised approach of learning and the final layer uses semi-supervised (trained by only positive samples) approach of learning. The proposed MKOC is experimentally evaluated on 15 publicly available benchmark data…
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.
For a large class of regularized models, leave-one-out cross-validation can be efficiently estimated with an approximate leave-one-out formula (ALO). We consider the problem of adjusting hyperparameters so as to optimize ALO. We derive efficient formulas to compute the gradient and hessian of ALO and show how to apply a second-order optimizer to find hyperparameters. We demonstrate the usefulness of the proposed approach by finding hyperparameters for regularized logistic regression and ridge regression on various real-world data sets.
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…
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.
General predictive models do not provide a measure of confidence in predictions without Bayesian assumptions. A way to circumvent potential restrictions is to use conformal methods for constructing non-parametric confidence regions, that offer guarantees regarding validity. In this paper we provide a detailed description of a computationally efficient conformal procedure for Kernel Ridge Regression (KRR), and conduct a comparative numerical study to see how well conformal regions perform against the Bayesian confidence sets. The results suggest that conformalized KRR can yield predictive confi…
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.
One of the most fundamental aspects of any machine learning algorithm is the training data used by the algorithm. We introduce the novel concept of $ε$-approximation of datasets, obtaining datasets which are much smaller than or are significant corruptions of the original training data while maintaining similar model performance. We introduce a meta-learning algorithm called Kernel Inducing Points (KIP) for obtaining such remarkable datasets, inspired by the recent developments in the correspondence between infinitely-wide neural networks and kernel ridge-regression (KRR). For KRR tasks, we de…
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…
We propose an $L_{2}$-based penalization algorithm for functional linear regression models, where the coefficient function is shrunk towards a data-driven shape template $γ$, which is constrained to belong to a class of piecewise functions by restricting its basis expansion. In particular, we focus on the case where $γ$ can be expressed as a sum of $q$ rectangles that are adaptively positioned with respect to the regression error. As the problem of finding the optimal knot placement of a piecewise function is nonconvex, the proposed parametrization allows to reduce the number of variables in t…
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…
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…
We provide a deterministic space-efficient algorithm for estimating ridge regression. For $n$ data points with $d$ features and a large enough regularization parameter, we provide a solution within $\varepsilon$ L$_2$ error using only $O(d/\varepsilon)$ space. This is the first $o(d^2)$ space deterministic streaming algorithm with guaranteed solution error and risk bound for this classic problem. The algorithm sketches the covariance matrix by variants of Frequent Directions, which implies it can operate in insertion-only streams and a variety of distributed data settings. In comparisons to ra…
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…
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 …
