Although the leave-subject-out cross-validation (CV) has been widely used in practice for tuning parameter selection for various nonparametric and semiparametric models of longitudinal data, its theoretical property is unknown and solving the associated optimization problem is computationally expensive, especially when there are multiple tuning parameters. In this paper, by focusing on the penalized spline method, we show that the leave-subject-out CV is optimal in the sense that it is asymptotically equivalent to the empirical squared error loss function minimization. An efficient Newton-type algorithm is developed to compute the penalty parameters that optimize the CV criterion. Simulated and real data are used to demonstrate the effectiveness of the leave-subject-out CV in selecting both the penalty parameters and the working correlation matrix.
The asymptotic optimality (a.o.) of various hyper-parameter estimators with different optimality criteria has been studied in the literature for regularized least squares regression problems. The estimators include e.g., the maximum (marginal) likelihood method, $C_p$ statistics, and generalized cross validation method, and the optimality criteria are based on e.g., the inefficiency, the expectation inefficiency and the risk. In this paper, we consider the regularized least squares regression problems with fixed number of regression parameters, choose the optimality criterion based on the risk…
An important question in constructing Cross Validation (CV) estimators of the generalization error is whether rules can be established that allow "optimal" selection of the size of the training set, for fixed sample size $n$. We define the {\it resampling effectiveness} of random CV estimators of the generalization error as the ratio of the limiting value of the variance of the CV estimator over the estimated from the data variance. The variance and the covariance of different average test set errors are independent of their indices, thus, the resampling effectiveness depends on the correlatio…
This article is an invited discussion of the article by Gronau and Wagenmakers (2018) that can be found at https://dx.doi.org/10.1007/s42113-018-0011-7.
The lasso procedure is ubiquitous in the statistical and signal processing literature, and as such, is the target of substantial theoretical and applied research. While much of this research focuses on the desirable properties that lasso possesses---predictive risk consistency, sign consistency, correct model selection---all of it has assumes that the tuning parameter is chosen in an oracle fashion. Yet, this is impossible in practice. Instead, data analysts must use the data twice, once to choose the tuning parameter and again to estimate the model. But only heuristics have ever justified suc…
Comparing Scale Parameter Estimators for Gaussian Process Interpolation with the Brownian Motion Prior: Leave-One-Out Cross Validation and Maximum Likelihood
We propose an adaptive bandwidth selector via cross validation for local M-estimators in locally stationary processes. We prove asymptotic optimality of the procedure under mild conditions on the underlying parameter curves. The results are applicable to a wide range of locally stationary processes such linear and nonlinear processes. A simulation study shows that the method works fairly well also in misspecified situations.
A general framework is that the estimators of a distribution are obtained by minimizing a function (the estimating function) and they are assessed through another function (the assessment function). The estimating and assessment functions generally estimate risks. A classical case is that both functions estimate an information risk (specifically cross entropy); in that case Akaike information criterion (AIC) is relevant. In more general cases, the assessment risk can be estimated by leave-one-out crossvalidation. Since leave-one-out crossvalidation is computationally very demanding, an approxi…
Cross-validation is a well-known and widely used bandwidth selection method in nonparametric regression estimation. However, this technique has two remarkable drawbacks: (i) the large variability of the selected bandwidths, and (ii) the inability to provide results in a reasonable time for very large sample sizes. To overcome these problems, bagging cross-validation bandwidths are analyzed in this paper. This approach consists in computing the cross-validation bandwidths for a finite number of subsamples and then rescaling the averaged smoothing parameters to the original sample size. Under a …
We analyze the performance of cross-validation (CV) in the density estimation framework with two purposes: (i) risk estimation and (ii) model selection. The main focus is given to the so-called leave-$p$-out CV procedure (Lpo), where $p$ denotes the cardinality of the test set. Closed-form expressions are settled for the Lpo estimator of the risk of projection estimators. These expressions provide a great improvement upon $V$-fold cross-validation in terms of variability and computational complexity. From a theoretical point of view, closed-form expressions also enable to study the Lpo perform…
We investigate the optimality for model selection of the so-called slope heuristics, $V$-fold cross-validation and $V$-fold penalization in a heteroscedastic with random design regression context. We consider a new class of linear models that we call strongly localized bases and that generalize histograms, piecewise polynomials and compactly supported wavelets. We derive sharp oracle inequalities that prove the asymptotic optimality of the slope heuristics---when the optimal penalty shape is known---and $V$ -fold penalization. Furthermore, $V$-fold cross-validation seems to be suboptimal for a…
We introduce a novel scheme for choosing the regularization parameter in high-dimensional linear regression with Lasso. This scheme, inspired by Lepski's method for bandwidth selection in non-parametric regression, is equipped with both optimal finite-sample guarantees and a fast algorithm. In particular, for any design matrix such that the Lasso has low sup-norm error under an "oracle choice" of the regularization parameter, we show that our method matches the oracle performance up to a small constant factor, and show that it can be implemented by performing simple tests along a single Lasso …
The present work aims at deriving theoretical guaranties on the behavior of some cross-validation procedures applied to the $k$-nearest neighbors ($k$NN) rule in the context of binary classification. Here we focus on the leave-$p$-out cross-validation (L$p$O) used to assess the performance of the $k$NN classifier. Remarkably this L$p$O estimator can be efficiently computed in this context using closed-form formulas derived by \cite{CelisseMaryHuard11}. We describe a general strategy to derive moment and exponential concentration inequalities for the L$p$O estimator applied to the $k$NN classif…
We consider a unified framework of sequential change-point detection and hypothesis testing modeled by means of hidden Markov chains. One observes a sequence of random variables whose distributions are functionals of a hidden Markov chain. The objective is to detect quickly the event that the hidden Markov chain leaves a certain set of states, and to identify accurately the class of states into which it is absorbed. We propose computationally tractable sequential detection and identification strategies and obtain sufficient conditions for the asymptotic optimality in two Bayesian formulations.…
Princeton University（普林斯顿大学）；Harvard University（哈佛大学）；Microsoft Research New England（微软研究院新英格兰分院）
This work develops central limit theorems for cross-validation and consistent estimators of its asymptotic variance under weak stability conditions on the learning algorithm. Together, these results provide practical, asymptotically-exact confidence intervals for $k$-fold test error and valid, powerful hypothesis tests of whether one learning algorithm has smaller $k$-fold test error than another. These results are also the first of their kind for the popular choice of leave-one-out cross-validation. In our real-data experiments with diverse learning algorithms, the resulting intervals and tes…
We study the consistency and optimality of the maximum marginal likelihood estimate (MMLE) in the hyperparameter inference for large-degree-of-freedom models. We perform main analyses within the exponential family, where the natural parameters are hyperparameters. First, we prove the consistency of the MMLE for the general linear models when estimating the scales of variance in the likelihood and prior. The proof is independent of the number ratio of data to model parameters and excepts the ill-posedness of the associated regularized least-square model-parameter estimate that is shown asymptot…
Kriging-based surrogate models have become very popular during the last decades to approximate a computer code output from few simulations. In practical applications, it is very common to sequentially add new simulations to obtain more accurate approximations. We propose in this paper a method of kriging-based sequential design which combines both the error evaluation providing by the kriging model and the observed errors of a Leave-One-Out cross-validation procedure. This method is proposed in two versions, the first one selects points one at-a-time. The second one allows us to parallelize th…
Columbia University（哥伦比亚大学）；Baruch College, City University of New York（纽约城市大学巴鲁克学院）
Risk estimation is at the core of many learning systems. The importance of this problem has motivated researchers to propose different schemes, such as cross validation, generalized cross validation, and Bootstrap. The theoretical properties of such estimates have been extensively studied in the low-dimensional settings, where the number of predictors $p$ is much smaller than the number of observations $n$. However, a unifying methodology accompanied with a rigorous theory is lacking in high-dimensional settings. This paper studies the problem of risk estimation under the moderately high-dimen…
The benefits of the wavelet approach for density estimation are well established in the literature, especially when the density to estimate is irregular or heterogeneous in smoothness. However, wavelet density estimates are typically not bona fide densities. In Aya-Moreno et al (2018), a `shape-preserving' wavelet density estimator was introduced, including as main step the estimation of the square-root of the density. A natural concept involving square-root of densities is the Hellinger distance - or equivalently, the Bhattacharyya affinity coefficient. In this paper, we deliver a fully data-…
Features in predictive models are not exchangeable, yet common supervised models treat them as such. Here we study ridge regression when the analyst can partition the features into $K$ groups based on external side-information. For example, in high-throughput biology, features may represent gene expression, protein abundance or clinical data and so each feature group represents a distinct modality. The analyst's goal is to choose optimal regularization parameters $λ= (λ_1, \dotsc, λ_K)$ -- one for each group. In this work, we study the impact of $λ$ on the predictive risk of group-regularized …
