Gauss–Christoffel quadrature for inverse regression: applications to computer experiments

Sufficient dimension reduction (SDR) provides a framework for reducing the predictor space dimension in statistical regression problems. We consider SDR in the context of dimension reduction for deterministic functions of several variables such as those arising in computer experiments. In this context, SDR can reveal low-dimensional ridge structure in functions. Two algorithms for SDR—sliced inverse regression (SIR) and sliced average variance estimation (SAVE)—approximate matrices of integrals using a sliced mapping of the response. We interpret this sliced approach as a Riemann sum approximation of the particular integrals arising in each algorithm. We employ the well-known tools from numerical analysis—namely, multivariate numerical integration and orthogonal polynomials—to produce new algorithms that improve upon the Riemann sum-based numerical integration in SIR and SAVE. We call the new algorithms Lanczos–Stieltjes inverse regression (LSIR) and Lanczos–Stieltjes average variance estimation (LSAVE) due to their connection with Stieltjes’ method—and Lanczos’ related discretization—for generating a sequence of polynomials that are orthogonal with respect to a given measure. We show that this approach approximates the desired integrals, and we study the behavior of LSIR and LSAVE with two numerical examples. The quadrature-based LSIR and LSAVE eliminate the first-order algebraic convergence rate bottleneck resulting from the Riemann sum approximation, thus enabling high-order numerical approximations of the integrals when appropriate. Moreover, LSIR and LSAVE perform as well as the best-case SIR and SAVE implementations (e.g., adaptive partitioning of the response space) when low-order numerical integration methods (e.g., simple Monte Carlo) are used.

     

Sliced inverse moment regression using weighted chi-squared tests for dimension reduction

We propose a new method for dimension reduction in regression using the first two inverse moments. We develop corresponding weighted chi-squared tests for the dimension of the regression. The proposed method considers linear combinations of sliced inverse regression (SIR) and the method using a new candidate matrix which is designed to recover the entire inverse second moment subspace. The optimal combination may be selected based on the p-values derived from the dimension tests. Theoretically, the proposed method, as well as sliced average variance estimate (SAVE), is more capable of recovering the complete central dimension reduction subspace than SIR and principle Hessian directions (pHd). Therefore it can substitute for SIR, pHd, SAVE, or any linear combination of them at a theoretical level. Simulation study indicates that the proposed method may have consistently greater power than SIR, pHd, and SAVE.     

Dimension Reduction in Regressions through Weighted Variance Estimation

Because sliced inverse regression (SIR) using the conditional mean of the inverse regression fails to recover the central subspace when the inverse regression mean degenerates, sliced average variance estimation (SAVE) using the conditional variance was proposed in the sufficient dimension reduction literature. However, the efficacy of SAVE depends heavily upon the number of slices. In the present article, we introduce a class of weighted variance estimation (WVE), which, similar to SAVE and simple contour regression (SCR), uses the conditional variance of the inverse regression to recover the central subspace. The strong consistency and the asymptotic normality of the kernel estimation of WVE are established under mild regularity conditions. Finite sample studies are carried out for comparison with existing methods and an application to a real data is presented for illustration.     

A new reproducing kernel-based nonlinear dimension reduction method for survival data

Based on the theories of sliced inverse regression (SIR) and reproducing kernel Hilbert space (RKHS), a new approach RDSIR (RKHS-based Double SIR) to nonlinear dimension reduction for survival data is proposed. An isometric isomorphism is constructed based on the RKHS property, then the nonlinear function in the RKHS can be represented by the inner product of two elements that reside in the isomorphic feature space. Due to the censorship of survival data, double slicing is used to estimate the weight function to adjust for the censoring bias. The nonlinear sufficient dimension reduction (SDR) subspace is estimated by a generalized eigen-decomposition problem. The asymptotic property of the estimator is established based on the perturbation theory. Finally, the performance of RDSIR is illustrated on simulated and real data. The numerical results show that RDSIR is comparable with the linear SDR method. Most importantly, RDSIR can also effectively extract nonlinearity from survival data.     

Interpretable sparse SIR for functional data

We propose a semiparametric framework based on sliced inverse regression (SIR) to address the issue of variable selection in functional regression. SIR is an effective method for dimension reduction which computes a linear projection of the predictors in a low-dimensional space, without loss of information on the regression. In order to deal with the high dimensionality of the predictors, we consider penalized versions of SIR: ridge and sparse. We extend the approaches of variable selection developed for multidimensional SIR to select intervals that form a partition of the definition domain of the functional predictors. Selecting entire intervals rather than separated evaluation points improves the interpretability of the estimated coefficients in the functional framework. A fully automated iterative procedure is proposed to find the critical (interpretable) intervals. The approach is proved efficient on simulated and real data. The method is implemented in the R package SISIR available on CRAN at https://cran.r-project.org/package=SISIR.

     

Isometric sliced inverse regression for nonlinear manifold learning

Sliced inverse regression (SIR) was developed to find effective linear dimension-reduction directions for exploring the intrinsic structure of the high-dimensional data. In this study, we present isometric SIR for nonlinear dimension reduction, which is a hybrid of the SIR method using the geodesic distance approximation. First, the proposed method computes the isometric distance between data points; the resulting distance matrix is then sliced according to K-means clustering results, and the classical SIR algorithm is applied. We show that the isometric SIR (ISOSIR) can reveal the geometric structure of a nonlinear manifold dataset (e.g., the Swiss roll). We report and discuss this novel method in comparison to several existing dimension-reduction techniques for data visualization and classification problems. The results show that ISOSIR is a promising nonlinear feature extractor for classification applications.     

A Note on Multiple Regression for Single Index Model

Abstract

A simple method based on sliced inverse regression (SIR) is proposed to explore an effective dimension reduction (EDR) vector for the single index model. We avoid the principle component analysis step of the original SIR by using two sample mean vectors in two slices of the response variable and their difference vector. The theories become simpler, the method is equivalent to the multiple linear regression with dichotomized response, and the estimator can be expressed by a closed form, although the objective function might be an unknown nonlinear. It can be applied for the case when the number of covariates is large, and it requires no matrix operation or iterative calculation.     

Random sliced inverse regression

Sliced Inverse Regression (SIR; 1991) is a dimension reduction method for reducing the dimension of the predictors without losing regression information. The implementation of SIR requires inverting the covariance matrix of the predictors—which has hindered its use to analyze high-dimensional data where the number of predictors exceed the sample size. We propose random sliced inverse regression (rSIR) by applying SIR to many bootstrap samples, each using a subset of randomly selected candidate predictors. The final rSIR estimate is obtained by aggregating these estimates. A simple variable selection procedure is also proposed using these bootstrap estimates. The performance of the proposed estimates is studied via extensive simulation. Application to a dataset concerning myocardial perfusion diagnosis from cardiac Single Proton Emission Computed Tomography (SPECT) images is presented.     

Response and predictor folding to counter symmetric dependency in dimension reduction

In the regression setting, dimension reduction allows for complicated regression structures to be detected via visualisation in a low‐dimensional framework. However, some popular dimension reduction methodologies fail to achieve this aim when faced with a problem often referred to as symmetric dependency. In this paper we show how vastly superior results can be achieved when carrying out response and predictor transformations for methods such as least squares and sliced inverse regression. These transformations are simple to implement and utilise estimates from other dimension reduction methods that are not faced with the symmetric dependency problem. We highlight the effectiveness of our approach via simulation and an example. Furthermore, we show that ordinary least squares can effectively detect multiple dimension reduction directions. Methods robust to extreme response values are also considered.     

Concordance-based estimation approaches for the optimal sufficient dimension reduction score

To characterize the dependence of a response on covariates of interest, a monotonic structure is linked to a multivariate polynomial transformation of the central subspace (CS) directions with unknown structural degree and dimension. Under a very general semiparametric model formulation, such a sufficient dimension reduction (SDR) score is shown to enjoy the existence, optimality, and uniqueness up to scale and location in the defined concordance probability function. In light of these properties and its single-index representation, two types of concordance-based generalized Bayesian information criteria are constructed to estimate the optimal SDR score and the maximum concordance index. The estimation criteria are further carried out by effective computational procedures. Generally speaking, the outer product of gradients estimation in the first approach has an advantage in computational efficiency and the parameterization system in the second approach greatly reduces the number of parameters in estimation. Different from most existing SDR approaches, only one CS direction is required to be continuous in the proposals. Moreover, the consistency of structural degree and dimension estimators and the asymptotic normality of the optimal SDR score and maximum concordance index estimators are established under some suitable conditions. The performance and practicality of our methodology are also investigated through simulations and empirical illustrations.     

Optimal quantization applied to sliced inverse regression

In this paper we consider a semiparametric regression model involving a d-dimensional quantitative explanatory variable X and including a dimension reduction of X via an index β′X. In this model, the main goal is to estimate the Euclidean parameter β and to predict the real response variable Y conditionally to X. Our approach is based on sliced inverse regression (SIR) method and optimal quantization in L^p-norm. We obtain the convergence of the proposed estimators of β and of the conditional distribution. Simulation studies show the good numerical behavior of the proposed estimators for finite sample size.     

K-medoids inverse regression

Abstract

K-means inverse regression was developed as an easy-to-use dimension reduction procedure for multivariate regression. This approach is similar to the original sliced inverse regression method, with the exception that the slices are explicitly produced by a K-means clustering of the response vectors. In this article, we propose K-medoids clustering as an alternative clustering approach for slicing and compare its performance to K-means in a simulation study. Although the two methods often produce comparable results, K-medoids tends to yield better performance in the presence of outliers. In addition to isolation of outliers, K-medoids clustering also has the advantage of accommodating a broader range of dissimilarity measures, which could prove useful in other graphical regression applications where slicing is required.     

Gaussian Regularized Sliced Inverse Regression

Sliced Inverse Regression (SIR) is an effective method for dimension reduction in high-dimensional regression problems. The original method, however, requires the inversion of the predictors covariance matrix. In case of collinearity between these predictors or small sample sizes compared to the dimension, the inversion is not possible and a regularization technique has to be used. Our approach is based on a Fisher Lecture given by R.D. Cook where it is shown that SIR axes can be interpreted as solutions of an inverse regression problem. We propose to introduce a Gaussian prior distribution on the unknown parameters of the inverse regression problem in order to regularize their estimation. We show that some existing SIR regularizations can enter our framework, which permits a global understanding of these methods. Three new priors are proposed leading to new regularizations of the SIR method. A comparison on simulated data as well as an application to the estimation of Mars surface physical properties from hyperspectral images are provided.     

Extending Save and PHD

SAVE and PHD are effective methods in dimension reduction problems. Both methods are based on two assumptions: linearity condition and constant covariance condition. But in the situation where constant covariance condition fails, even if linearity condition holds, SAVE and PHD often pick the directions which are out side of the central subspace (CS) or central mean subspace (CMS). In this article, we generalize the SAVE and PHD under weaker conditions. This generalization make it possible to get the correct estimates of central subspace (CS) and central mean subspace (CMS).     

An Inverse‐regression Method of Dependent Variable Transformation for Dimension Reduction with Non‐linear Confounding

Many model‐free dimension reduction methods have been developed for high‐dimensional regression data but have not paid much attention on problems with non‐linear confounding. In this paper, we propose an inverse‐regression method of dependent variable transformation for detecting the presence of non‐linear confounding. The benefit of using geometrical information from our method is highlighted. A ratio estimation strategy is incorporated in our approach to enhance the interpretation of variable selection. This approach can be implemented not only in principal Hessian directions (PHD) but also in other recently developed dimension reduction methods. Several simulation examples that are reported for illustration and comparisons are made with sliced inverse regression and PHD in ignorance of non‐linear confounding. An illustrative application to one real data is also presented.     

Application of the Bootstrap Approach to the Choice of Dimension and the α Parameter in the SIRα Method

To reduce the dimensionality of regression problems, sliced inverse regression approaches make it possible to determine linear combinations of a set of explanatory variables X related to the response variable Y in general semiparametric regression context. From a practical point of view, the determination of a suitable dimension (number of the linear combination of X) is important. In the literature, statistical tests based on the nullity of some eigenvalues have been proposed. Another approach is to consider the quality of the estimation of the effective dimension reduction (EDR) space. The square trace correlation between the true EDR space and its estimate can be used as goodness of estimation. In this article, we focus on the SIR_α method and propose a naïve bootstrap estimation of the square trace correlation criterion. Moreover, this criterion could also select the α parameter in the SIR_α method. We indicate how it can be used in practice. A simulation study is performed to illustrate the behavior of this approach.     

Multilayer Perceptron with Functional Inputs: an Inverse Regression Approach

Abstract.  Functional data analysis is a growing research field as more and more practical applications involve functional data. In this paper, we focus on the problem of regression and classification with functional predictors: the model suggested combines an efficient dimension reduction procedure [functional sliced inverse regression, first introduced by Ferré & Yao ( Statistics , 37, 2003 , 475)], for which we give a regularized version, with the accuracy of a neural network. Some consistency results are given and the method is successfully confronted to real-life data.