A note on smoothing parameter selection for penalized spline smoothing

In nonparametric regression the smoothing parameter can be selected by minimizing a Mean Squared Error (MSE) based criterion. For spline smoothing one can also rewrite the smooth estimation as a Linear Mixed Model where the smoothing parameter appears as the a priori variance of spline basis coefficients. This allows to employ Maximum Likelihood (ML) theory to estimate the smoothing parameter as variance component. In this paper the relation between the two approaches is illuminated for penalized spline smoothing (P-spline) as suggested in Eilers and Marx Statist. Sci. 11(2) (1996) 89. Theoretical and empirical arguments are given showing that the ML approach is biased towards undersmoothing, i.e. it chooses a too complex model compared to the MSE. The result is in line with classical spline smoothing, even though the asymptotic arguments are different. This is because in P-spline smoothing a finite dimensional basis is employed while in classical spline smoothing the basis grows with the sample size.     

Likelihood ratio tests in linear mixed models with one variance component

Summary.  We consider the problem of testing null hypotheses that include restrictions on the variance component in a linear mixed model with one variance component and we derive the finite sample and asymptotic distribution of the likelihood ratio test and the restricted likelihood ratio test. The spectral representations of the likelihood ratio test and the restricted likelihood ratio test statistics are used as the basis of efficient simulation algorithms of their null distributions. The large sample χ ² mixture approximations using the usual asymptotic theory for a null hypothesis on the boundary of the parameter space have been shown to be poor in simulation studies. Our asymptotic calculations explain these empirical results. The theory of Self and Liang applies only to linear mixed models for which the data vector can be partitioned into a large number of independent and identically distributed subvectors. One-way analysis of variance and penalized splines models illustrate the results.     

Modified spline regression based on randomly right-censored data: A comparative study

ABSTRACT

In this paper, we propose modified spline estimators for nonparametric regression models with right-censored data, especially when the censored response observations are converted to synthetic data. Efficient implementation of these estimators depends on the set of knot points and an appropriate smoothing parameter. We use three algorithms, the default selection method (DSM), myopic algorithm (MA), and full search algorithm (FSA), to select the optimum set of knots in a penalized spline method based on a smoothing parameter, which is chosen based on different criteria, including the improved version of the Akaike information criterion (AICc), generalized cross validation (GCV), restricted maximum likelihood (REML), and Bayesian information criterion (BIC). We also consider the smoothing spline (SS), which uses all the data points as knots. The main goal of this study is to compare the performance of the algorithm and criteria combinations in the suggested penalized spline fits under censored data. A Monte Carlo simulation study is performed and a real data example is presented to illustrate the ideas in the paper. The results confirm that the FSA slightly outperforms the other methods, especially for high censoring levels.     

Smoothing spline Gaussian regression: more scalable computation via efficient approximation

Summary.  Smoothing splines via the penalized least squares method provide versatile and effective nonparametric models for regression with Gaussian responses. The computation of smoothing splines is generally of the order O ( n ³), n being the sample size, which severely limits its practical applicability. We study more scalable computation of smoothing spline regression via certain low dimensional approximations that are asymptotically as efficient. A simple algorithm is presented and the Bayes model that is associated with the approximations is derived, with the latter guiding the porting of Bayesian confidence intervals. The practical choice of the dimension of the approximating space is determined through simulation studies, and empirical comparisons of the approximations with the exact solution are presented. Also evaluated is a simple modification of the generalized cross-validation method for smoothing parameter selection, which to a large extent fixes the occasional undersmoothing problem that is suffered by generalized cross-validation.     

Penalized Spline Estimation for Varying-Coefficient Models

Varying-coefficient models are useful extensions of classical linear models. They arise from multivariate nonparametric regression, nonlinear time series modeling and forecasting, longitudinal data analysis, and others. This article proposes the penalized spline estimation for the varying-coefficient models. Assuming a fixed but potentially large number of knots, the penalized spline estimators are shown to be strong consistency and asymptotic normality. A systematic optimization algorithm for the selection of multiple smoothing parameters is developed. One of the advantages of the penalized spline estimation is that it can accommodate varying degrees of smoothness among coefficient functions due to multiple smoothing parameters being used. Some simulation studies are presented to illustrate the proposed methods.     

Bootstrap confidence intervals for smoothing splines and their comparison to bayesian confidence intervals

We construct bootstrap confidence intervals for smoothing spline estimates based on Gaussian data, and penalized likelihood smoothing spline estimates based on data from .exponential families. Several vari- ations of bootstrap confidence intervals are considered and compared. We find that the commonly used ootstrap percentile intervals are inferior to the T intervals and to intervals based on bootstrap estimation of mean squared errors. The best variations of the bootstrap confidence intervals behave similar to the well known Bayesian confidence intervals. These bootstrap confidence intervals have an average coverage probability across the function being estimated, as opposed to a pointwise property.     

A Mixed Model Approach for Geoadditive Hazard Regression

Abstract.  Mixed model based approaches for semiparametric regression have gained much interest in recent years, both in theory and application. They provide a unified and modular framework for penalized likelihood and closely related empirical Bayes inference. In this article, we develop mixed model methodology for a broad class of Cox-type hazard regression models where the usual linear predictor is generalized to a geoadditive predictor incorporating non-parametric terms for the (log-)baseline hazard rate, time-varying coefficients and non-linear effects of continuous covariates, a spatial component, and additional cluster-specific frailties. Non-linear and time-varying effects are modelled through penalized splines, while spatial components are treated as correlated random effects following either a Markov random field or a stationary Gaussian random field prior. Generalizing existing mixed model methodology, inference is derived using penalized likelihood for regression coefficients and (approximate) marginal likelihood for smoothing parameters. In a simulation we study the performance of the proposed method, in particular comparing it with its fully Bayesian counterpart using Markov chain Monte Carlo methodology, and complement the results by some asymptotic considerations. As an application, we analyse leukaemia survival data from northwest England.     

Reference priors for linear models with general covariance structures

We develop a new class of reference priors for linear models with general covariance structures. A general Markov chain Monte Carlo algorithm is also proposed for implementing the computation. We present several examples to demonstrate the results: Bayesian penalized spline smoothing, a Bayesian approach to bivariate smoothing for a spatial model, and prior specification for structural equation models.     

A COMPARISON OF MIXED MODEL SPLINES FOR CURVE FITTING

Three types of polynomial mixed model splines have been proposed: smoothing splines, P‐splines and penalized splines using a truncated power function basis. The close connections between these models are demonstrated, showing that the default cubic form of the splines differs only in the penalty used. A general definition of the mixed model spline is given that includes general constraints and can be used to produce natural or periodic splines. The impact of different penalties is demonstrated by evaluation across a set of functions with specific features, and shows that the best penalty in terms of mean squared error of prediction depends on both the form of the underlying function and the signal:noise ratio.     

Function-on-function regression for two-dimensional functional data

ABSTRACT

We present methods for modeling and estimation of a concurrent functional regression when the predictors and responses are two-dimensional functional datasets. The implementations use spline basis functions and model fitting is based on smoothing penalties and mixed model estimation. The proposed methods are implemented in available statistical software, allow the construction of confidence intervals for the bivariate model parameters, and can be applied to completely or sparsely sampled responses. Methods are tested to data in simulations and they show favorable results in practice. The usefulness of the methods is illustrated in an application to environmental data.     

Propriety of posteriors in structured additive regression models: Theory and empirical evidence

Structured additive regression comprises many semiparametric regression models such as generalized additive (mixed) models, geoadditive models, and hazard regression models within a unified framework. In a Bayesian formulation, non-parametric functions, spatial effects and further model components are specified in terms of multivariate Gaussian priors for high-dimensional vectors of regression coefficients. For several model terms, such as penalized splines or Markov random fields, these Gaussian prior distributions involve rank-deficient precision matrices, yielding partially improper priors. Moreover, hyperpriors for the variances (corresponding to inverse smoothing parameters) may also be specified as improper, e.g. corresponding to Jeffreys prior or a flat prior for the standard deviation. Hence, propriety of the joint posterior is a crucial issue for full Bayesian inference in particular if based on Markov chain Monte Carlo simulations. We establish theoretical results providing sufficient (and sometimes necessary) conditions for propriety and provide empirical evidence through several accompanying simulation studies.     

Modelling and smoothing parameter estimation with multiple quadratic penalties

Penalized likelihood methods provide a range of practical modelling tools, including spline smoothing, generalized additive models and variants of ridge regression. Selecting the correct weights for penalties is a critical part of using these methods and in the single-penalty case the analyst has several well-founded techniques to choose from. However, many modelling problems suggest a formulation employing multiple penalties, and here general methodology is lacking. A wide family of models with multiple penalties can be fitted to data by iterative solution of the generalized ridge regression problem minimize || W ^1/2 ( Xp − y ) ||²ρ+Σ _{i =1} ^m  θ _i p ' S _i p ( p is a parameter vector, X a design matrix, S _i a non-negative definite coefficient matrix defining the i th penalty with associated smoothing parameter θ _i , W a diagonal weight matrix, y a vector of data or pseudodata and ρ an 'overall' smoothing parameter included for computational efficiency). This paper shows how smoothing parameter selection can be performed efficiently by applying generalized cross-validation to this problem and how this allows non-linear, generalized linear and linear models to be fitted using multiple penalties, substantially increasing the scope of penalized modelling methods. Examples of non-linear modelling, generalized additive modelling and anisotropic smoothing are given.     

Estimation of the Force of Infection from Current Status Data Using Generalized Linear Mixed Models

Based on sero-prevalence data of rubella, mumps in the UK and varicella in Belgium, we show how the force of infection, the age-specific rate at which susceptible individuals contract infection, can be estimated using generalized linear mixed models (McCulloch & Searle, 2001). Modelling the dependency of the force of infection on age by penalized splines, which involve fixed and random effects, allows us to use generalized linear mixed models techniques to estimate both the cumulative probability of being infected before a given age and the force of infection. Moreover, these models permit an automatic selection of the smoothing parameter. The smoothness of the estimated force of infection can be influenced by the number of knots and the degree of the penalized spline used. To determine these, a different number of knots and different degrees are used and the results are compared to establish this sensitivity. Simulations with a different number of knots and polynomial spline bases of different degrees suggest - for estimating the force of infection from serological data - the use of a quadratic penalized spline based on about 10 knots.     

Thin plate regression splines

Summary. I discuss the production of low rank smoothers for d  ≥ 1 dimensional data, which can be fitted by regression or penalized regression methods. The smoothers are constructed by a simple transformation and truncation of the basis that arises from the solution of the thin plate spline smoothing problem and are optimal in the sense that the truncation is designed to result in the minimum possible perturbation of the thin plate spline smoothing problem given the dimension of the basis used to construct the smoother. By making use of Lanczos iteration the basis change and truncation are computationally efficient. The smoothers allow the use of approximate thin plate spline models with large data sets, avoid the problems that are associated with 'knot placement' that usually complicate modelling with regression splines or penalized regression splines, provide a sensible way of modelling interaction terms in generalized additive models, provide low rank approximations to generalized smoothing spline models, appropriate for use with large data sets, provide a means for incorporating smooth functions of more than one variable into non-linear models and improve the computational efficiency of penalized likelihood models incorporating thin plate splines. Given that the approach produces spline-like models with a sparse basis, it also provides a natural way of incorporating unpenalized spline-like terms in linear and generalized linear models, and these can be treated just like any other model terms from the point of view of model selection, inference and diagnostics.     

Spline smoothing over difficult regions

Summary. It is occasionally necessary to smooth data over domains in R ² with complex irregular boundaries or interior holes. Traditional methods of smoothing which rely on the Euclidean metric or which measure smoothness over the entire real plane may then be inappropriate. This paper introduces a bivariate spline smoothing function defined as the minimizer of a penalized sum-of-squares functional. The roughness penalty is based on a partial differential operator and is integrated only over the problem domain by using finite element analysis. The method is motivated by and applied to two sample smoothing problems and is compared with the thin plate spline.     

Mixed effects smoothing spline analysis of variance

We propose a general family of nonparametric mixed effects models. Smoothing splines are used to model the fixed effects and are estimated by maximizing the penalized likelihood function. The random effects are generic and are modelled parametrically by assuming that the covariance function depends on a parsimonious set of parameters. These parameters and the smoothing parameter are estimated simultaneously by the generalized maximum likelihood method. We derive a connection between a nonparametric mixed effects model and a linear mixed effects model. This connection suggests a way of fitting a nonparametric mixed effects model by using existing programs. The classical two-way mixed models and growth curve models are used as examples to demonstrate how to use smoothing spline analysis-of-variance decompositions to build nonparametric mixed effects models. Similarly to the classical analysis of variance, components of these nonparametric mixed effects models can be interpreted as main effects and interactions. The penalized likelihood estimates of the fixed effects in a two-way mixed model are extensions of James–Stein shrinkage estimates to correlated observations. In an example three nested nonparametric mixed effects models are fitted to a longitudinal data set.     

随机效应半参数logit模型的惩罚似然估计研究

 在颇具争议的收入差距和健康关系研究中,为了降低可能存在的模型设定和遗漏变量偏误,本文提出了随机效应半参数logit模型,其中非参数的设定还可用于数据的初探性分析。随后本文提出了模型非参数和参数部分的估计方法。这里涉及的难点是随机效应的存在导致似然函数中的积分没有解析式,而非参数的存在更加大了估计难度。本文基于惩罚样条非参数估计方法和四阶Laplace近似方法建立了惩罚对数似然函数,其最大化采用了Newton_Raphson近似方法。文章还建立了惩罚样条中重要光滑参数的选取准则。模型在收入差距和健康实例中的估计结果表明数据支持收入差距弱假说,且非参数估计结果表明其具有U型形式,与实例估计结果的比较指出本文提出的估计方法是较准确的。     

Kernel spline regression

The authors propose «kernel spline regression,» a method of combining spline regression and kernel smoothing by replacing the polynomial approximation for local polynomial kernel regression with the spline basis. The new approach retains the local weighting scheme and the use of a bandwidth to control the size of local neighborhood. The authors compute the bias and variance of the kernel linear spline estimator, which they compare with local linear regression. They show that kernel spline estimators can succeed in capturing the main features of the underlying curve more effectively than local polynomial regression when the curvature changes rapidly. They also show through simulation that kernel spline regression often performs better than ordinary spline regression and local polynomial regression.     

ON CONFIDENCE INTERVALS FOR GENERALIZED ADDITIVE MODELS BASED ON PENALIZED REGRESSION SPLINES

Generalized additive models represented using low rank penalized regression splines, estimated by penalized likelihood maximisation and with smoothness selected by generalized cross validation or similar criteria, provide a computationally efficient general framework for practical smooth modelling. Various authors have proposed approximate Bayesian interval estimates for such models, based on extensions of the work of Wahba, G. (1983) [Bayesian confidence intervals for the cross validated smoothing spline. J. R. Statist. Soc. B 45 , 133–150] and Silverman, B.W. (1985) [Some aspects of the spline smoothing approach to nonparametric regression curve fitting. J. R. Statist. Soc. B 47 , 1–52] on smoothing spline models of Gaussian data, but testing of such intervals has been rather limited and there is little supporting theory for the approximations used in the generalized case. This paper aims to improve this situation by providing simulation tests and obtaining asymptotic results supporting the approximations employed for the generalized case. The simulation results suggest that while across‐the‐model performance is good, component‐wise coverage probabilities are not as reliable. Since this is likely to result from the neglect of smoothing parameter variability, a simple and efficient simulation method is proposed to account for smoothing parameter uncertainty: this is demonstrated to substantially improve the performance of component‐wise intervals.     

Inference in generalized additive mixed modelsby using smoothing splines

Generalized additive mixed models are proposed for overdispersed and correlated data, which arise frequently in studies involving clustered, hierarchical and spatial designs. This class of models allows flexible functional dependence of an outcome variable on covariates by using nonparametric regression, while accounting for correlation between observations by using random effects. We estimate nonparametric functions by using smoothing splines and jointly estimate smoothing parameters and variance components by using marginal quasi-likelihood. Because numerical integration is often required by maximizing the objective functions, double penalized quasi-likelihood is proposed to make approximate inference. Frequentist and Bayesian inferences are compared. A key feature of the method proposed is that it allows us to make systematic inference on all model components within a unified parametric mixed model framework and can be easily implemented by fitting a working generalized linear mixed model by using existing statistical software. A bias correction procedure is also proposed to improve the performance of double penalized quasi-likelihood for sparse data. We illustrate the method with an application to infectious disease data and we evaluate its performance through simulation.