Nested Latin Hypercube Designs with Sliced Structures

In computer experiments, space-filling designs with a sliced structure or nested structure have received much recent interest and been studied separately. However, it is likely that designs with both structures are needed in some situations, but there are no suitable designs so far. In this paper, we construct a special class of nested Latin hypercube designs with sliced structures, in such a design, a small sliced Latin hypercube design is nested within a large one. The construction method is easy to implement and the number of factors is flexible. Numerical simulations show the usefulness of the newly proposed designs.     

An Approach to Constructing Nested Space-Filling Designs for Multi-Fidelity Computer Experiments

Multi-fidelity computer experiments are widely used in many engineering and scientific fields. Nested space-filling designs (NSFDs) are suitable for conducting such experiments. Two classes of NSFDs are currently available. One class is based on special orthogonal arrays of strength two and the other consists of nested Latin hypercube designs. Both of them assume all factors are continuous. We propose an approach to constructing new NSFDs based on powerful (t, s)-sequences. The method is simple, easy to implement, and quite general. For continuous factors, this approach produces NSFDs with better space-filling properties than existing ones. Unlike the previous methods, this method can also construct NSFDs for categorical and mixed factors. Some illustrative examples are given. Other applications of the constructed designs are briefly discussed.     

On algorithmic construction of maximin distance designs

Maximin distance designs are useful for conducting expensive computer experiments. In this article, we compare some global optimization algorithms for constructing such designs. We also introduce several related space-filling designs, including nested maximin distance designs, sliced maximin distance designs, and general maximin distance designs with better projection properties. These designs possess more flexible structures than their analogs in the literature. Examples of these designs constructed by the algorithms are presented.     

Computer experiment designs for accurate prediction

Computer experiments using deterministic simulators are sometimes used to replace or supplement physical system experiments. This paper compares designs for an initial computer simulator experiment based on empirical prediction accuracy; it recommends designs for producing accurate predictions. The basis for the majority of the designs compared is the integrated mean squared prediction error (IMSPE) that is computed assuming a Gaussian process model with a Gaussian correlation function. Designs that minimize the IMSPE with respect to a fixed set of correlation parameters as well as designs that minimize a weighted IMSPE over the correlation parameters are studied. These IMSPE-based designs are compared with three widely-used space-filling designs. The designs are used to predict test surfaces representing a range of stationary and non-stationary functions. For the test conditions examined in this paper, the designs constructed under IMSPE-based criteria are shown to outperform space-filling Latin hypercube designs and maximum projection designs when predicting smooth functions of stationary appearance, while space-filling and maximum projection designs are superior for test functions that exhibit strong non-stationarity.     

Computer experiments: a review

In this paper we provide a broad introduction to the topic of computer experiments. We begin by briefly presenting a number of applications with different types of output or different goals. We then review modelling strategies, including the popular Gaussian process approach, as well as variations and modifications. Other strategies that are reviewed are based on polynomial regression, non-parametric regression and smoothing spline ANOVA. The issue of multi-level models, which combine simulators of different resolution in the same experiment, is also addressed. Special attention is given to modelling techniques that are suitable for functional data. To conclude the modelling section, we discuss calibration, validation and verification. We then review design strategies including Latin hypercube designs and space-filling designs and their adaptation to computer experiments. We comment on a number of special issues, such as designs for multi-level simulators, nested factors and determination of experiment size.     

Space-filling orthogonal arrays of strength two

This paper considers the use of orthogonal arrays of strength two as experimental designs for fitting a surrogate model. Contrary to standard space-filling designs or Latin hypercube designs, the points of an orthogonal array of strength two are well distributed when they are projected on the two-dimensional faces of the unit cube. The aim is to determine if this property allows one to fit an accurate surrogate model when the computer response is governed by second-order interactions of some input variables. The first part of the paper is devoted to the construction of orthogonal arrays with space-filling properties. In the second part, orthogonal arrays are compared with standard designs for fitting a Gaussian process model.     

Optimal Latin hypercube designs for the Kullback–Leibler criterion

Space-filling designs are commonly used for selecting the input values of time-consuming computer codes. Computer experiment context implies two constraints on the design. First, the design points should be evenly spread throughout the experimental region. A space-filling criterion (for instance, the maximin distance) is used to build optimal designs. Second, the design should avoid replication when projecting the points onto a subset of input variables (non-collapsing). The Latin hypercube structure is often enforced to ensure good projective properties. In this paper, a space-filling criterion based on the Kullback–Leibler information is used to build a new class of Latin hypercube designs. The new designs are compared with several traditional optimal Latin hypercube designs and appear to perform well.     

A new variable selection method for uniform designs

As an important class of space-filling designs, uniform designs (UDs) choose a set of points over a certain domain such that these points are uniformly scattered, under a specific discrepancy measure. They have been applied successfully in many industrial and scientific experiments since they appeared in 1980. A noteworthy and practical advantage is their ability to investigate a large number of high-level factors simultaneously with a fairly economical set of experimental runs. As a result, UDs can be properly used as experimental plans that are intended to derive the significant factors from a list of many potential ones. To this end, a new screening procedure is introduced via penalized least squares. A simulation study is conducted to support the proposed method, which reveals that it can be considered quite promising and expedient, as judged in terms of Type I and Type II error rates.     

Estimating standard error of intra-class correlation coefficients up to three level unbalanced nested clinical trials

ABSTRACT

Very often researchers plan a balanced design for cluster randomization clinical trials in conducting medical research, but unavoidable circumstances lead to unbalanced data. By adopting three or more levels of nested designs, they usually ignore the higher level of nesting and consider only two levels, this situation leads to underestimation of variance at higher levels. While calculating the sample size for three-level nested designs, in order to achieve desired power, intra-class correlation coefficients (ICCs) at individual level as well as higher levels need to be considered and must be provided along with respective standard errors. In the present paper, the standard errors of analysis of variance (ANOVA) estimates of ICCs for three-level unbalanced nested design are derived. To conquer the strong appeal of distributional assumptions, balanced design, equality of variances between clusters and large sample, general expressions for standard errors of ICCs which can be deployed in unbalanced cluster randomization trials are postulated. The expressions are evaluated on real data as well as highly unbalanced simulated data.     

Comparing and generating Latin Hypercube designs in Kriging models

In Computer Experiments (CE), a careful selection of the design points is essential for predicting the system response at untried points, based on the values observed at tried points. In physical experiments, the protocol is based on Design of Experiments, a methodology whose basic principles are questioned in CE. When the responses of a CE are modeled as jointly Gaussian random variables with their covariance depending on the distance between points, the use of the so called space-filling designs (random designs, stratified designs and Latin Hypercube designs) is a common choice, because it is expected that the nearer the untried point is to the design points, the better is the prediction. In this paper we focus on the class of Latin Hypercube (LH) designs. The behavior of various LH designs is examined according to the Gaussian assumption with exponential correlation, in order to minimize the total prediction error at the points of a regular lattice. In such a special case, the problem is reduced to an algebraic statistical model, which is solved using both symbolic algebraic software and statistical software. We provide closed-form computation of the variance of the Gaussian linear predictor as a function of the design, in order to make a comparison between LH designs. In principle, the method applies to any number of factors and any number of levels, and also to classes of designs other than LHs. In our current implementation, the applicability is limited by the high computational complexity of the algorithms involved.     

Minimum projection uniformity for computer experiment with quantitative factors

Computer experiments involving quantitative factors at high levels are becoming more and more important in the study of complex experiments arising in the area of science and engineering. Uniform designs are found to be widely applicable in computer experiments in the form of space-filling designs. In this paper, the projection uniformity for quantitative designs is studied under wrap-around $L_2$-discrepancy. A lower bound of uniformity pattern for general asymmetric designs is provided, which can be used to serve as a benchmark for both comparing different designs and also to determine the optimal design. As a byproduct, a lower bound of wrap-around $L_2$-discrepancy measure for the asymmetric design is also obtained. Some illustrative examples and numerical comparisons are also provided for supporting our theoretical results.     

Design of computer experiments: space filling and beyond

When setting up a computer experiment, it has become a standard practice to select the inputs spread out uniformly across the available space. These so-called space-filling designs are now ubiquitous in corresponding publications and conferences. The statistical folklore is that such designs have superior properties when it comes to prediction and estimation of emulator functions. In this paper we want to review the circumstances under which this superiority holds, provide some new arguments and clarify the motives to go beyond space-filling. An overview over the state of the art of space-filling is introducing and complementing these results.     

ADJUSTED ORTHOGONAL NESTED ROW-COLUMN DESIGNS

Adjusted orthogonality in nested row-column designs is defined and a sufficient condition established for its existence. It is shown that the properties of an adjusted orthogonal nested row-column design are directly related to those of its separate row and column component designs. A method for constructing efficient adjusted orthogonal designs involving a single replicate of every treatment in each of two blocks is given.     

Construction of some new families of nested orthogonal arrays

Nested orthogonal arrays have been used in the design of an experimental setup consisting of two experiments, the expensive one of higher accuracy being nested in a larger and relatively less expensive one of lower accuracy. In this paper, we provide new methods for constructing two types of nested orthogonal arrays.     

Generalized case–cohort sampling

A class of cohort sampling designs, including nested case–control, case–cohort and classical case–control designs involving survival data, is studied through a unified approach using Cox's proportional hazards model. By finding an optimal sample reuse method via local averaging, a closed form estimating function is obtained, leading directly to the estimators of the regression parameters that are relatively easy to compute and are more efficient than some commonly used estimators in case–cohort and nested case–control studies. A semiparametric efficient estimator can also be found with some further computation. In addition, the class of sampling designs in this study provides a variety of sampling options and relaxes the restrictions of sampling schemes that are currently available.     

An Adaptive Exploration-Exploitation Algorithm for Constructing Metamodels in Random Simulation Using a Novel Sequential Experimental Design

In this article, we propose a novel algorithm for sequential design of metamodels in random simulation, which combines the exploration capability of most one-shot space-filling designs with the exploitation feature of common sequential designs. The algorithm continuously maintains a balance between the exploration and the exploitation search throughout the search process in a sequential and adaptive manner. The numerical results indicate that the proposed approach is superior to one of the existing well-known sequential designs in terms of both the computational efficiency and speed in generating efficient experimental designs.     

On the efficiency of some non-orthogonal split-plot×split-block designs with control treatments

Many split-plot×split-block (SPSB) type experiments used in agriculture, biochemistry or plant protection are designed to study new crop plant cultivars or chemical agents. In these experiments it is usually very important to compare test treatments with the so-called control treatments. It happens yet that experimental material is limited and it does not allow using a complete (orthogonal) SPSB design. In the paper we propose a non-orthogonal SPSB design for consideration. Two cases of the design are presented here, i.e. when its incompleteness is connected with a crossed treatment structure only or with a nested treatment structure only. It is assumed the factors' levels connected with the incompleteness of the design are split into two groups: a set of test treatments and a set of control treatments. The method of constructions involves applying augmented block designs for some factors' levels. In a modelling data obtained from such experiments the structure of experimental material and appropriate randomization scheme of the different kinds of units before they enter the experiment are taken into account. With respect to the analysis of the obtained randomization model the approach typical to the multistratum experiments with orthogonal block structure is adapted. The proposed statistical analysis of linear model obtained includes estimation of parameters, testing general and particular hypotheses defined by the (basic) treatment contrasts with special reference to the notion of general balance.     

Maximum expected entropy transformed Latin hypercube designs

Existing projection designs (e.g. maximum projection designs) attempt to achieve good space-filling properties in all projections. However, when using a Gaussian process (GP), model-based design criteria such as the entropy criterion is more appropriate. We employ the entropy criterion averaged over a set of projections, called expected entropy criterion (EEC), to generate projection designs. We show that maximum EEC designs are invariant to monotonic transformations of the response, i.e. they are optimal for a wide class of stochastic process models. We also demonstrate that transformation of each column of a Latin hypercube design (LHD) based on a monotonic function can substantially improve the EEC. Two types of input transformations are considered: a quantile function of a symmetric Beta distribution chosen to optimize the EEC, and a nonparametric transformation corresponding to the quantile function of a symmetric density chosen to optimize the EEC. Numerical studies show that the proposed transformations of the LHD are efficient and effective for building robust maximum EEC designs. These designs give projections with markedly higher entropies and lower maximum prediction variances (MPV''s) at the cost of small increases in average prediction variances (APV''s) compared to state-of-the-art space-filling designs over wide ranges of covariance parameter values.     

Optimal partially balanced nested row-column designs

A partially balanced nested row-column design, referred to as PBNRC, is defined as an arrangement of v treatments in b p × q blocks for which, with the convention that p q, the information matrix for the estimation of treatment parameters is equal to that of the column component design which is itself a partially balanced incomplete block design. In this paper, previously known optimal incomplete block designs, and row-column and nested row-column designs are utilized to develop some methods of constructing optimal PBNRC designs. In particular, it is shown that an optimal group divisible PBNRC design for v = mn kn treatments in p × q blocks can be constructed whenever a balanced incomplete block design for m treatments in blocks of size k each and a group divisible PBNRC design for kn treatments in p × q blocks exist. A simple sufficient condition is given under which a group divisible PBNRC is Ψ_f-better for all f> 0 than the corresponding balanced nested row-column designs having binary blocks. It is also shown that the construction techniques developed particularly for group divisible designs can be generalized to obtain PBNRC designs based on rectangular association schemes.     

Experimentation order in factorial designs: new findings

Under some very reasonable hypotheses, it becomes evident that randomizing the run order of a factorial experiment does not always neutralize the effect of undesirable factors. Yet, these factors do have an influence on the response, depending on the order in which the experiments are conducted. On the other hand, changing the factor levels is many times costly; therefore it is not reasonable to leave to chance the number of changes necessary. For this reason, run orders that offer the minimum number of factor level changes and at the same time minimize the possible influence of undesirable factors on the experimentation have been sought. Sequences which are known to produce the desired properties in designs with 8 and 16 experiments can be found in the literature. In this paper, we provide the best possible sequences for designs with 32 experiments, as well as sequences that offer excellent properties for designs with 64 and 128 experiments. The method used to find them is based on a mixture of algorithmic searches and an augmentation of smaller designs.