Optimal designs for treatment comparisons represented by graphs

Consider an experiment for comparing a set of treatments: in each trial, one treatment is chosen and its effect determines the mean response of the trial. We examine the optimal approximate designs for the estimation of a system of treatment contrasts under this model. These designs can be used to provide optimal treatment proportions in more general models with nuisance effects. For any system of pairwise treatment comparisons, we propose to represent such a system by a graph. Then, we represent the designs by the inverses of the vertex weights in the corresponding graph and we show that the values of the eigenvalue-based optimality criteria can be expressed using the Laplacians of the vertex-weighted graphs. We provide a graph theoretic interpretation of D-, A- and E-optimality for estimating sets of pairwise comparisons. We apply the obtained graph representation to provide optimality results for these criteria as well as for ’symmetric’ systems of treatment contrasts.     

Optimal regular graph designs

A typical problem in optimal design theory is finding an experimental design that is optimal with respect to some criteria in a class of designs. The most popular criteria include the A- and D-criteria. Regular graph designs occur in many optimality results, and if the number of blocks is large enough, an A-optimal (or D-optimal) design is among them (if any exist). To explore the landscape of designs with a large number of blocks, we introduce extensions of regular graph designs. These are constructed by adding the blocks of a balanced incomplete block design repeatedly to the original design. We present the results of an exact computer search for the best regular graph designs and the best extended regular graph designs with up to 20 treatments v, block size \(k \le 10\) and replication r \(\le 10\) and \(r(k-1)-(v-1)\lfloor r(k-1)/(v-1)\rfloor \le 9\).     

Max–min optimal discriminating designs for several statistical models

In the literature, different optimality criteria have been considered for model identification. Most of the proposals assume the normal distribution for the response variable and thus they provide optimality criteria for discriminating between regression models. In this paper, a max–min approach is followed to discriminate among competing statistical models (i.e., probability distribution families). More specifically, k different statistical models (plausible for the data) are embedded in a more general model, which includes them as particular cases. The proposed optimal design maximizes the minimum KL-efficiency to discriminate between each rival model and the extended one. An equivalence theorem is proved and an algorithm is derived from it, which is useful to compute max–min KL-efficiency designs. Finally, the algorithm is run on two illustrative examples.     

Importance tempering

Simulated tempering (ST) is an established Markov chain Monte Carlo (MCMC) method for sampling from a multimodal density π(θ). Typically, ST involves introducing an auxiliary variable k taking values in a finite subset of [0,1] and indexing a set of tempered distributions, say π _k (θ)∝ π(θ) ^k . In this case, small values of k encourage better mixing, but samples from π are only obtained when the joint chain for (θ,k) reaches k=1. However, the entire chain can be used to estimate expectations under π of functions of interest, provided that importance sampling (IS) weights are calculated. Unfortunately this method, which we call importance tempering (IT), can disappoint. This is partly because the most immediately obvious implementation is naïve and can lead to high variance estimators. We derive a new optimal method for combining multiple IS estimators and prove that the resulting estimator has a highly desirable property related to the notion of effective sample size. We briefly report on the success of the optimal combination in two modelling scenarios requiring reversible-jump MCMC, where the naïve approach fails.     

Nonlinear surface regression with dimension reduction method

This paper considers nonlinear regression analysis with a scalar response and multiple predictors. An unknown regression function is approximated by radial basis function models. The coefficients are estimated in the context of M-estimation. It is known that ordinary M-estimation leads to overfitting in nonlinear regression. The purpose of this paper is to construct a smooth estimator. The proposed method in this paper is conducted by a two-step procedure. First, the sufficient dimension reduction methods are applied to the response and radial basis functions for transforming the large number of radial bases to a small number of linear combinations of the radial bases without loss of information. In the second step, a multiple linear regression model between a response and the transformed radial bases is assumed and the ordinary M-estimation is applied. Thus, the final estimator is also obtained as a linear combination of radial bases. The validity and an asymptotic study of the proposed method are explored. A simulation and data example are addressed to confirm the behavior of the proposed method.     

Discussion of “The power of monitoring: how to make the most of a contaminated multivariate sample” by Andrea Cerioli,Marco Riani,Anthony C. Atkinson and Aldo Corbellini

This paper discusses the contribution of Cerioli et al. (Stat Methods Appl, 2018), where robust monitoring based on high breakdown point estimators is proposed for multivariate data. The results follow years of development in robust diagnostic techniques. We discuss the issues of extending data monitoring to other models with complex structure, e.g. factor analysis, mixed linear models for which S and MM-estimators exist or deviating data cells. We emphasise the importance of robust testing that is often overlooked despite robust tests being readily available once S and MM-estimators have been defined. We mention open questions like out-of-sample inference or big data issues that would benefit from monitoring.     

I-robust and D-robust designs on a finite design space

We present and discuss the theory of minimax I- and D-robust designs on a finite design space, and detail three methods for their construction that are new in this context: (i) a numerical search for the optimal parameters in a provably minimax robust parametric class of designs, (ii) a first-order iterative algorithm similar to that of Wynn (Ann Math Stat 5:1655–1664, 1970), and (iii) response-adaptive designs. These designs minimize a loss function, based on the mean squared error of the predicted responses or the parameter estimates, when the regression response is possibly misspecified. The loss function being minimized has first been maximized over a neighbourhood of the approximate and possibly inadequate response being fitted by the experimenter. The methods presented are all vastly more economical, in terms of the computing time required, than previously available algorithms.     

Optimal sampling for spatial prediction of functional data

This paper combines optimal spatial sampling designs with geostatistical analysis of functional data. We propose a methodology and design criteria to find the set of spatial locations that minimizes the variance of the spatial functional prediction at unsampled sites for three functional predictors: ordinary kriging, simple kriging and simple cokriging. The last one is a modification of an existing predictor that uses ordinary cokriging based on the basis coefficients. Instead, we propose to use a simple cokriging predictor with the scores resulting from a representation of the functional data with the empirical functional principal components, allowing to remove restrictions and complexity of the covariance models and constraints on the estimation procedure. The methodology is applied to a network of air quality in Bogotá city, Colombia.     

$$D_s$$-optimality in copula models

Optimum experimental design theory has recently been extended for parameter estimation in copula models. The use of these models allows one to gain in flexibility by considering the model parameter set split into marginal and dependence parameters. However, this separation also leads to the natural issue of estimating only a subset of all model parameters. In this work, we treat this problem with the application of the \(D_s\)-optimality to copula models. First, we provide an extension of the corresponding equivalence theory. Then, we analyze a wide range of flexible copula models to highlight the usefulness of \(D_s\)-optimality in many possible scenarios. Finally, we discuss how the usage of the introduced design criterion also relates to the more general issue of copula selection and optimal design for model discrimination.     

Estimating a sparse reduction for general regression in high dimensions

Although the concept of sufficient dimension reduction that was originally proposed has been there for a long time, studies in the literature have largely focused on properties of estimators of dimension-reduction subspaces in the classical “small p, and large n” setting. Rather than the subspace, this paper considers directly the set of reduced predictors, which we believe are more relevant for subsequent analyses. A principled method is proposed for estimating a sparse reduction, which is based on a new, revised representation of an existing well-known method called the sliced inverse regression. A fast and efficient algorithm is developed for computing the estimator. The asymptotic behavior of the new method is studied when the number of predictors, p, exceeds the sample size, n, providing a guide for choosing the number of sufficient dimension-reduction predictors. Numerical results, including a simulation study and a cancer-drug-sensitivity data analysis, are presented to examine the performance.     

Optimal designs based on exact confidence regions for parameter estimation of a nonlinear regression model

This paper is concerned with the proposal of optimality criteria, referred to as X  - and X^′$X^{\prime }$-optimality criteria, and the construction of X  - and X^′$X^{\prime }$-optimal designs, for nonlinear regression models. These optimal designs aim at improving the estimation of parameters of this class of models. The principle of these criteria is the minimization, with respect to the design, of the expected volume of a particular exact parametric confidence region. In this paper we give detailed definitions, properties, and computation methods of X  - and X^′$X^{\prime }$-optimal designs. We also compare these designs with the classic local D-optimal designs, with regard to robustness and efficiency, for two very well-known academic models (Box–Lucas and Michaelis–Menten models).     

Robust skew-<Emphasis Type="Italic">t</Emphasis> factor analysis models for handling missing data

This paper presents a novel framework for maximum likelihood (ML) estimation in skew-t factor analysis (STFA) models in the presence of missing values or nonresponses. As a robust extension of the ordinary factor analysis model, the STFA model assumes a restricted version of the multivariate skew-t distribution for the latent factors and the unobservable errors to accommodate non-normal features such as asymmetry and heavy tails or outliers. An EM-type algorithm is developed to carry out ML estimation and imputation of missing values under a missing at random mechanism. The practical utility of the proposed methodology is illustrated through real and synthetic data examples.     

Computing A-optimal and E-optimal designs for regression models via semidefinite programming

In semidefinite programming (SDP), we minimize a linear objective function subject to a linear matrix being positive semidefinite. A powerful program, SeDuMi, has been developed in MATLAB to solve SDP problems. In this article, we show in detail how to formulate A-optimal and E-optimal design problems as SDP problems and solve them by SeDuMi. This technique can be used to construct approximate A-optimal and E-optimal designs for all linear and nonlinear regression models with discrete design spaces. In addition, the results on discrete design spaces provide useful guidance for finding optimal designs on any continuous design space, and a convergence result is derived. Moreover, restrictions in the designs can be easily incorporated in the SDP problems and solved by SeDuMi. Several representative examples and one MATLAB program are given.     

AN ALGORITHM FOR THE CONSTRUCTION OF OPTIMAL OR NEAR-OPTIMAL CHANGE-OVER DESIGNS

This paper presents an algorithm for the construction of optimal or near optimal change-over designs for arbitrary numbers of treatments, periods and units. Previous research on optimality has been either theoretical or has resulted in limited tabulations of small optimal designs. The algorithm consists of a number of steps:first find an optimal direct treatment effects design, ignoring residual effects, and then optimise this class of designs with respect to residual effects. Poor designs are avoided by judicious application of the (M, S)-optimality criterion, and modifications of it, to appropriate matrices. The performance of the algorithm is illustrated by examples.     

Non-parametric regression on compositional covariates using Bayesian P-splines

Methods to perform regression on compositional covariates have recently been proposed using isometric log-ratios (ilr) representation of compositional parts. This approach consists of first applying standard regression on ilr coordinates and second, transforming the estimated ilr coefficients into their contrast log-ratio counterparts. This gives easy-to-interpret parameters indicating the relative effect of each compositional part. In this work we present an extension of this framework, where compositional covariate effects are allowed to be smooth in the ilr domain. This is achieved by fitting a smooth function over the multidimensional ilr space, using Bayesian P-splines. Smoothness is achieved by assuming random walk priors on spline coefficients in a hierarchical Bayesian framework. The proposed methodology is applied to spatial data from an ecological survey on a gypsum outcrop located in the Emilia Romagna Region, Italy.     

Minimax versions of the two-stage <Emphasis Type="Italic">t</Emphasis> test

Let X be a N(μ, σ ²) distributed characteristic with unknown σ. We present the minimax version of the two-stage t test having minimal maximal average sample size among all two-stage t tests obeying the classical two-point-condition on the operation characteristic. We give several examples. Furthermore, the minimax version of the two-stage t test is compared with the corresponding two-stage Gauß test.     

Optimum mixture designs in a restricted region

In a mixture experiment, the response depends on the proportions of the mixing components. Canonical models of different degrees and also other models have been suggested to represent the mean response. Optimum designs for estimation of the parameters of the models have been investigated by different authors. In most cases, the optimum design includes the vertex points of the simplex as support points of the design, which are not mixture combinations in the true non-trivial sense. In this paper, optimum designs have been obtained when the experimental region is an ellipsoidal subspace of the entire factor space which does not cover the vertex points of the simplex.     

Weak identification in probit models with endogenous covariates

Weak identification is a well-known issue in the context of linear structural models. However, for probit models with endogenous explanatory variables, this problem has been little explored. In this paper, we study by simulating the behavior of the usual z-test and the LR test in the presence of weak identification. We find that the usual asymptotic z-test exhibits large level distortions (over-rejections under the null hypothesis). The magnitude of the level distortions depends heavily on the parameter value tested. In contrast, asymptotic LR tests do not over-reject and appear to be robust to weak identification.     

Automated selection of <Emphasis Type="Italic">r</Emphasis> for the <Emphasis Type="Italic">r</Emphasis> largest order statistics approach with adjustment for sequential testing

The r largest order statistics approach is widely used in extreme value analysis because it may use more information from the data than just the block maxima. In practice, the choice of r is critical. If r is too large, bias can occur; if too small, the variance of the estimator can be high. The limiting distribution of the r largest order statistics, denoted by GEV\(_r\), extends that of the block maxima. Two specification tests are proposed to select r sequentially. The first is a score test for the GEV\(_r\) distribution. Due to the special characteristics of the GEV\(_r\) distribution, the classical chi-square asymptotics cannot be used. The simplest approach is to use the parametric bootstrap, which is straightforward to implement but computationally expensive. An alternative fast weighted bootstrap or multiplier procedure is developed for computational efficiency. The second test uses the difference in estimated entropy between the GEV\(_r\) and GEV\(_{r-1}\) models, applied to the r largest order statistics and the \(r-1\) largest order statistics, respectively. The asymptotic distribution of the difference statistic is derived. In a large scale simulation study, both tests held their size and had substantial power to detect various misspecification schemes. A new approach to address the issue of multiple, sequential hypotheses testing is adapted to this setting to control the false discovery rate or familywise error rate. The utility of the procedures is demonstrated with extreme sea level and precipitation data.     

A characterization of geometric distribution based on weak records

Let \({\{X_n, n\geq 1\}}\) be a sequence of independent and identically distributed non-degenerated random variables with common cumulative distribution function F. Suppose X ₁ is concentrated on 0, 1, . . . , N ≤ ∞ and P(X ₁ = 1) > 0. Let \({X_{U_w(n)}}\) be the n-th upper weak record value. In this paper we show that for any fixed m ≥ 2, X ₁ has Geometric distribution if and only if \({X_{U_{w}(m)}\mathop=\limits^d X_1+\cdots+X_m ,}\) where \({\underline{\underline{d}}}\) denotes equality in distribution. Our result is a generalization of the case m = 2 obtained by Ahsanullah (J Stat Theory Appl 8(1):5–16, 2009).