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A Tutorial On Latin Hypercube Design of Experiments

Latin hypercube sampling tutorial for design of experiments methodology

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14 views

A Tutorial On Latin Hypercube Design of Experiments

Latin hypercube sampling tutorial for design of experiments methodology

Uploaded by

llanojairo
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© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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Tutorial

(wileyonlinelibrary.com) DOI: 10.1002/qre.1924 Published online in Wiley Online Library

A Tutorial on Latin Hypercube Design of


Experiments
Felipe A. C. Viana*†
The growing power of computers enabled techniques created for design and analysis of simulations to be applied to a large
spectrum of problems and to reach high level of acceptance among practitioners. Generally, when simulations are time
consuming, a surrogate model replaces the computer code in further studies (e.g., optimization, sensitivity analysis, etc.).
The first step for a successful surrogate modeling and statistical analysis is the planning of the input configuration that is
used to exercise the simulation code. Among the strategies devised for computer experiments, Latin hypercube designs have
become particularly popular. This paper provides a tutorial on Latin hypercube design of experiments, highlighting potential
reasons of its widespread use. The discussion starts with the early developments in optimization of the point selection and
goes all the way to the pitfalls of the indiscriminate use of Latin hypercube designs. Final thoughts are given on
opportunities for future research. Copyright © 2015 John Wiley & Sons, Ltd.

Keywords: design and analysis of computer experiments; Latin hypercube sampling; space-filling designs; sequential sampling

1. Introduction
omputer models usually replace physical experiments in studies like sensitivity analysis, design optimization, and reliability

C assessment. Frequently, there is very limited previous knowledge about the system (particularly in situations like engineering
conceptual design), and analysts, scientists, and engineers tend to explore large input spaces. To make matters worse, in many
cases, high-fidelity models are computationally expensive. Fortunately, years of research in mathematical formulation leveraged by
the growth of computer power enabled techniques devised for design and analysis of simulations1–5 to be successfully applied to
a variety of problems (e.g., design of energy and aerospace6–8 systems, manufacturing,9 bioengineering,10,11 and decision under
uncertainty).12 Such techniques embrace the set of methodologies for generating a surrogate model (also known as metamodel or
response surface approximation), which is used to replace the expensive simulation code. The goal is constructing an approximation
of the response that is as accurate as possible under limited number of expensive simulations.
With that said, careful planning of the inputs for the computer codes is first and one of the most crucial steps for a successful
statistical modeling of the simulations. Often, few statistical assumptions are made about the input/output relationship of computer
models. That might be one of the reasons why the initial sample is planned to cover most of the considered domain (leading to space-
filling experimental designs). This is clearly elucidated in the vast literature about experimental designs for computer experiments.13–17
Latin hypercube designs18,19 have become particularly popular among strategies for computer experiments. Other strategies include
orthogonal arrays20 and Hammersley designs.21,22 To illustrate their popularity, Figure 1(a) shows an approximate number of
publications that referred to at least one of these three techniques. The data was obtained using the Google Scholar (http://scholar.
google.com) database. While the specific numbers may vary, as the Google Scholar database is updated, there is stronger growth in
the number of papers using either Hammersley or Latin hypercube designs when compared with orthogonal arrays. Figure 1(b)
illustrates the close relationship between the growth in publications related to the design of computer experiments and Latin
hypercube design. Another evidence of popularity is the number and diversity of the reported applications in which the Latin
hypercube design is used. For example, the book edited by Dr. Koziel and Dr. Leifsson23 is dedicated to applications of surrogate
modeling, and the Latin hypercube design appears in 8 out of the 16 chapters. The applications range from circuit design to microwave
structures to aerodynamic shape optimization.
This paper aims at providing a short overview of the research in Latin hypercube design of experiments with some hypotheses to
explain its extensive use. Given that Latin hypercube designs can create samples that poorly cover the input domain, optimization of
the Latin hypercube is first discussed. New practitioners would find here some explanations for why peers recommend them to use
Latin hypercube designs. Then, the pitfalls of always using Latin hypercube designs for selecting experimental designs are

Probabilistics Laboratory, GE Global Research, Niskayuna, NY, USA


*Correspondence to: Felipe A. C. Viana, Probabilistics Laboratory, GE Global Research, Niskayuna, NY, USA.

E-mail: [email protected]

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

Figure 1. Number of papers published per year. Data obtained from the Google Scholar (http://scholar.google.com) database in the week of March 4, 2013. For the
sampling schemes, the search was set with ‘any of these words’: ‘design of experiments’ or ‘experimental design,’ or ‘sampling’ plus ‘orthogonal arrays’, ‘Hammersley’,
or ‘Latin hypercube’. For design and analysis of computer experiments (DACE), the search was set ‘any of these words’: ‘design of computer experiments’ or ‘design of
simulation experiments’ or ‘design and analysis of computer experiments’

highlighted. Finally, the research in Latin hypercube designs is situated in the current state of the art, and opportunities for future
work are presented.
The remaining of the paper is organized as follows. Section 2 presents some general discussion about the Latin hypercube
experimental design. Section 3 discusses five points of interest when researchers use such designs. Section 4 closes the paper
recapitulating the important points and conclusions.

2. Latin hypercube and other experimental designs


Here, an experimental design with p points in d dimensions is written as a p × d matrix X = [x1 x2 … xp]T, where each column
h i
ð1Þ ð2Þ ðd Þ
represents a variable, and each row x i ¼ x i x i … x i represents a sample. A Latin hypercube design is constructed in such a
way that each of the d dimensions is divided into p equal levels (sometimes called bins) and that there is only one point (or sample)
at each level. As originally proposed, a random procedure is used to determine the point locations. Figure 2 shows three examples of
Latin hypercube designs with d = 2 and p = 20. The extreme case illustrated in Figure 2(a) is a Latin hypercube with very poor space
filling qualities. Randomization alone could improve the experimental design to the point exemplified by Figure 2(b). On the other
hand, optimization of point placement (as discussed in Section 3.2) would lead to the better choice shown in Figure 2(c), where points
are more uniformly distributed over the domain.
There are other sampling techniques suitable for computer experiments.‡ For example, orthogonal arrays organize the design
matrix X in p × d matrix of integers 0 ≤ xij ≤ b  1. The array is said to have strength t ≤ d if in every p by t submatrix of X, all of the
bt possible rows appear the same number of λ times (p = λbt). Latin hypercube sampling corresponds to strength t = 1, with λ = 1.
Hammersley designs are based on Hammersley sequences. Much like Fibonacci series, the Hammersley sequences are built using
operations on integer numbers. For further reading on these three sampling schemes, please refer to.21–24

3. Five questions that make you think


This section presents an attempt to answer five intriguing questions about the Latin hypercube designs. By no means, the answers
should be seen as definitive. Instead, they represent a partial (and why not say, personal) observation based on recent literature.
The objective is trying to understand why Latin hypercube sampling is so popular, how much progress research has made, what
the limitations are, what the alternatives are, and what remains to be performed.

3.1. Why do people like the Latin hypercube design so much?


In the early days of design and analysis of computer experiments, the practitioners were using both sampling and modeling
techniques developed for physical experiments (see the appendix for brief discussion on physical and computer experiments). The
maturity of design and analysis of computer experiments as a discipline opened up the following question: can sampling and
modeling strategies be designed for computer experiments? Ideally, both the experimental design and the modeling strategies


Classical experimental designs, such as central composite designs or D-optimal designs, have been used for simulations (obviously concepts such as randomization,
blocking, and replication might not make sense. For deterministic simulations, for example, replication is never applied). In fact, in the early days of computer
experiments, practitioners relied on traditional response surface theory (for sampling and modeling) when dealing with simulations. Nevertheless, this practice has
proven to be sub-efficient and, these days, less and less frequent.

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

Figure 2. Examples of Latin hypercube designs with d = 2 dimensions and p = 20 points

(not the topic here) would be developed to address the particularities of computer experiments.§ Classical experimental designs
meant to deal with the non-deterministic and relatively low dimensional nature of physical experiments.¶ In such cases, concepts like
replication and randomization (discussed in the appendix) make sense, and model assumptions guide the point placement. For
computer experiments, however, an attractive sampling technique would have to be flexible enough to (i) provide data for modeling
techniques based on very different statistical assumptions and (ii) be capable of covering small to large design spaces (no constraints
in terms of data density and location). When Mckay et al. 18 and Iman and Conover 19 proposed the Latin hypercube design, they
might not have foreseen the fact that the Latin hypercube design offers both, which would contribute to the popularity of the
strategy. Although there might be other reasons for their popularity, the fact is that Latin hypercube designs can be optimized
without having to look at the statistical assumptions of the model and have as many points as one can afford. From a practical
standpoint, this makes the strategy very attractive.
Curiously, the Latin hypercube popularity might also have something to do with the historically difficult problem of optimizing
designs for sophisticated modeling approaches such as the Gaussian process. The seminal paper by Sacks et al. 1 has a section
devoted to the designs for computer experiments. After introducing the Gaussian process as modeling approach, the authors
discussed criteria for a fixed number of runs and specified covariance structure, such as integrated mean squared error, maximum
mean square error, and entropy. They acknowledge the difficulties in solving the resulting optimization problems. Much of that
discussion holds true even today.
Another good reason for the Latin hypercube popularity is flexibility. For example, if few dimensions have to be dropped out, the
resulting design is still a Latin hypercube design (maybe sub-optimal, but a Latin hypercube nevertheless). That happens because
Latin hypercube samples are non-collapsing. Figure 3(a) illustrates the case of a Latin hypercube design with d = 3 dimensions and
p = 15 points. Any of the two-dimensional projections is still a Latin hypercube design with the same p = 15 points (although, for this
particular case, the x1  x2 projection is the best in terms of space filling). Thus, if one cannot afford another set of data properly
designed for the smaller domain, the existing data can be reused without reduction in number of sampled points. This is not the case
when central composite or factorial designs are used. In such cases, once some of the dimensions are eliminated, points collapse one
into another (reducing the sample size). Figure 3(b) shows the case of a circumscribed central composite design with d = 3 dimensions
(resulting in the same p = 15 points). While the two-dimensional projections are still central composite designs, points collapse into
one another, and the effective design size reduces to p = 9 points.
Unfortunately, the same thought process would not be true for the case of adding input variables to the problem. That is, adding
one or more dimensions to the problem would probably mean that the points of the existing design had those new dimensions fixed
at a certain level. This breaks the non-collapsing property of the Latin hypercube designs (or any other design for that matter). In
reality, one would have to run new simulations in order to cover the new added dimensions. For situations like this, the best practice
is to use optimization to guide where to place the new design points (see Table II for a discussion on sequential sampling).

3.2. How far has optimization of the Latin hypercube design gone?
The need of flexible experimental design strategies took research in Latin hypercube design away from model-specific figures of merit
(such as in D-optimal designs, which maximizes the determinant of the information matrix). For many applications, very little was
assumed about the relationship between input and outputs (although covariance among inputs was often a topic such as when Latin
hypercube sampling is used for multivariate integration). Instead, the figures of merit were expressed in terms of the input space (e.g.,
the minimum distance between points). The optimization of the Latin hypercube design has shown to be a challenging task because
it is a combinatorial optimization problem with search space of the order of (p !)d. For example, to optimize the location of 20 samples
in two dimensions, the algorithm has to select the best design from more than 1036 possible designs. If the number of variables is

§
After all, only so much could be achieved if the modeling approach remained the same (i.e., polynomial response surfaces). Techniques such as Gaussian process (and
kriging), radial basis function, neural networks, support vector machines, and others play an important role 25–29 as they can be used to flexibly model nonlinear
functions. The Latin hypercube being model independent supports the use of all these modeling techniques.

The low dimensionality sometimes found in physical experiments is usually an imposition of the high cost associated with them (i.e., exploration of large design spaces
is often prohibitively expensive).

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

(a) Latin hypercube design with 15 points.

(b) Central composite design with 15 points.

Figure 3. One-dimensional and two-dimensional projections of 3-dimensional Latin hypercube and central composite designs

increased to three, the number of possible designs is more than 1055. Another challenge is the objective function computation that
tends to be time consuming. Most objective functions require the computation of a form of distance among the points in the design,
which makes the number of operations to grow very fast with the number of points (and consequently number of variables because
large dimensional spaces usually require large number of points).
The result is an abundant literature on optimization of the Latin hypercube point location 30–44 (just to cite a few, but the list
could go on and on). Table I summarizes some strategies found in the literature. Overall, two research focus are recurrent, namely,
the optimization algorithm and the objective function. In few cases, researchers explored both simultaneously. The interested
reader can find databases of optimized Latin hypercube designs that can be downloaded from websites like http://www.
spacefillingdesigns.nl and http://harvest.nps.edu.
In terms of optimization algorithms, coordinate exchange, columnwise-pairwise, and enhanced stochastic evolutionary algorithms
are naturally suitable for Latin hypercube optimization. That is because they can deal with combinatorial problems, and they were
designed to account for the non-collapsing structure of the Latin hypercube designs. However, literature has also shown success
in the use of variations of discrete and continuous optimization methods such as simulated annealing, genetic algorithms, and
particle swarm optimization.
As for the objective function, a lot of authors advocate in favor of the criteria intended to space-filling designs (e.g., potential
energy, entropy, and ϕ p – which is sometimes seen as a variant of the maximin distance criterion). Some authors argue that reduced
correlation among inputs is also important (e.g., L2-discrepancy). Unfortunately, it is difficult to relate any of these criteria with the
accuracy of the resulting metamodels. Probably because of that, the choice of objective function for Latin hypercube optimization
is not unanimous. Nevertheless, some combinations of objective functions and algorithms might favor the overall performance of

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

Table I. Review of approaches for constructing the optimal Latin hypercube design (adapted from 40)
Researchers Year Algorithm Objective functions
30
Audze and Eglajs 1977 Coordinates exchange Potential energy
Park 31 1994 2-stage: exchange-type and Integrated mean-squared error
Newton-type and entropy criteria
Morris and Mitchell 32 1995 Simulated annealing ϕ p criterion
Ye et al. 33 2000 Columnwise-pairwise ϕ p and entropy criteria
Fang et al. 34 2002 Threshold accepting Centered L2-discrepancy
Bates et al. 35 2004 Genetic algorithm Potential energy
Jin et al. 36 2005 Enhanced stochastic evolutionary ϕ p criterion, entropy, and
algorithm L2 discrepancy
37
Liefvendahl and Stocki 2006 Columnwise-pairwise and genetic Minimum distance and
algorithms potential energy
van Dam et al. 38* 2007 Branch-and-bound 2-norm
Grosso et al. 39 2008 Iterated local search and simulated ϕ p criterion
annealing algorithms
Viana et al. 40 2010 Translational propagation ϕ p criterion
41
Roustant et al. 2010 No particular algorithm (focus on Radial scanning statistic
problem formulation)
42
Husslage et al. 2010 Periodic designs and the enhanced maximin and Audze-Eglais
stochastic evolutionary algorithm
Zhu et al. 43 2012 Successive local enumeration Potential energy
Chen et al. 44 2013 Particle swarm optimization Max-min criterion
*They also show a construction method for optimized 1-norm and infinity-norm.

the optimization strategy. For example, Jin et al. 36 proposed strategies for efficient calculation of the ϕ p, entropy, and L2 discrepancy
criteria based on the fact that they were using the enhanced stochastic evolutionary algorithm. The ϕ p, entropy, and L2 discrepancy
calculations take advantage of the fact that only two elements in the design matrix are involved in each iteration of their algorithm
(resulting in significant savings in computation time).
The growing power for computers changed the perception about the performance and limitation of the algorithms. For example, in 2000,
Ye et al. 33 reported that generating an optimal Latin hypercube of 25 points and four variables would take several hours on a Sun SPARC 20
workstation. In 2005, Jin et al. 36 reported that it would take only 2.5 s to optimize the same size of design using a personal computer powered
by a Pentium III 650 MHZ CPU. Today, time-consuming designs might be on the order of hundreds of points and/or several tens of variables.
Optimization and computer power are definitely strong drivers for the Latin hypercube popularity. The combination of these two
elements has enabled experimental designs with very good space-filling properties at reasonable computational cost. Figure 4 shows
the difference in number of papers acknowledging the use of Latin hypercube versus Hammersley designs over the years. The
difference used to be small and favoring Hammersley designs. However, the trend started to change as the optimization strategies
for Latin hypercube became mature, and implementations became fast enough from the user’s perspective. As a warning, this does
not mean that Latin hypercube are better than Hammersley designs. It only gives a hint that affordably optimized Latin hypercube
designs tend to be used more often.

3.3. Do Latin hypercube designs have any drawback?

Most certainly, Latin hypercube designs have drawbacks. By virtue of their definition, Latin hypercube designs have good uniformity
with respect to each dimension individually. Desirable properties, such as space filling, column-wise orthogonality, or conversely,
designs with statistically dependent variables come at the cost of very expensive optimization. Unfortunately, these properties
are not invariant under transformations. This is particularly important for applications where sampling is performed in one
coordinate system, but modeling is performed in another (e.g., it is common to see engineering problems where the inputs of
the computer code are mapped to a conveniently normalized space where physical interpretation of results becomes easier).
As discussed previously, there are cases where some input variables can be disregarded because they do not influence the output
as much. If the design space was originally sample using Latin hypercube sampling, the resulting design after the dimensionality
reduction is still a Latin hypercube design. Unfortunately, in such cases, there is no guarantee of optimality with respect to space
filling (or any other figure of merit used in the optimization of the initial design). Figure 3(a) illustrates the case of an approximation
of an optimized Latin hypercube design (obtained with the translational propagation Latin hypercube design algorithm proposed by
Viana et al.)40 with d = 3 dimensions and p = 24 points. Although any of the two-dimensional projections is still a Latin hypercube
design with the same p = 24 points, the space filling properties are hugely affected specially when x1 is dropped out. Although the
projection in x1-x2 is a much better representation of a space filling design than the other two projections, the distribution of points
over all three two-dimensional projections seems to follow a diagonal pattern – same is observed in Figure 2(c). The interested reader
is referred to Roustant et al. 41 for a discussion on how to minimize that effect.

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

Figure 4. Difference between number of publications over the years. nLH and nHS are the number of papers using Latin hypercube and Hammersley designs according to
Figure 1(a), respectively

In addition, improved space-filling properties may be achieved by minimizing some form of distance measure, whereas
orthogonality may be obtained by considering column-wise correlations. By the way, orthogonality of the sampling points 45,46 is also
observed in other sampling techniques such as orthogonal arrays. Unfortunately, literature 47–53 has shown that optimization with
respect to either of these properties does not necessarily lead to the best experimental design with respect to the other property.
Figure 5 shows the scatter plot of the column-wise correlation and ϕ p criteria when 1000 two-dimensional Latin hypercube design
20 points are created with the MATLAB function lhsdesign 54 (using default parameters). This figure illustrates how difficult it might
be to find the experimental design that minimizes both the column-wise correlation and ϕ p criteria. In addition, it is clear that the
best designs for the column-wise correlation can greatly differ in terms of ϕ p criterion and vice versa. The work by Hernandez
et al. 53 and MacCalman 55 discuss in depth the minimization of pairwise correlation. The interested reader can find their algorithm

Figure 5. Scatterplot of column-wise correlation and ϕ p criteria out of 1000 Latin hypercube designs with d = 2 dimensions and p = 20 points created with the MATLAB
function lhsdesign 54

Figure 6. Example of Hammersley design with d = 2 dimensions and p = 20 points

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

Table II. Few suggestions of research topics


Topic Comments and examples of work being performed
Optimization of Latin hypercube Comment: the growing in computer power has made optimization feasible from small to
moderate sampling sizes. However, creating experimental designs in large dimensional
spaces (when the sample size is also naturally large) is still very challenging. The task is time
consuming because computation of optimization criteria and number of iterations for
convergence (and there is always the debate around the curse of dimensionality).
Example of work: Owen 61 introduced Latin supercube sampling (combination of Latin
hypercube with Quasi Monte Carlo) for numerical integration of functions defined in very
high dimensional spaces.
Mixing discrete and continuous Comment: because each dimension is divided into equal number of levels (which is also
variables equal to the number of points in the experimental design), Latin hypercube designs face
limitations when dealing with discrete variables. The number of levels may not coincide with
the levels of the discrete variables. One can always map few Latin hypercube levels into a
single level of the discrete variable (which might end up being a sub-optimum strategy).
Example of work: Meckesheimer et al. 62 reviewed different sampling and surrogate
techniques when applied to discrete/continuous problems.
Incorporation of global Comment: it can happen that one knows beforehand that the response varies much slower
sensitivity information in certain dimensions (or faster in others). Think about sampling a model that is known to be
linear in one dimension and nonlinear in another dimension (e.g., y = x1 + x2 + cos(x2) + x22). It
is possible to conceive that two or three levels in x1 should be enough, while x2 might need
more than that. If 10 sample points are available, the traditional formulation of the Latin
hypercube would create 10 levels in each dimension. It would be interesting to change the
formulation such that the sensitivity information could be incorporated and potentially help
allocating better the sampling points. In such cases, it would make sense to have few levels
in the slower changing dimensions and more levels in the fast changing ones.
Example of work: researchers like Sobol 63 and Tarantola et al. 64 have proposed strategies
for assessing global sensitivities. Nevertheless, to the best of my knowledge, there is no
sampling strategy that would use existing sensitivity information (i.e., without relying on
model) to decide where to conduct simulations/experiments.
Constrained design space Comment: it is relatively common to find problems where outputs are not feasible
(physically or numerically) throughout the hypercube defined by lower and upper bounds of
input variables. In such cases, it might be beneficial to constraint the design of experiment,
which imposes a layer of complexity to its optimization.
Example of work: Petelet et al. 65 introduced a technique that creates Latin hypercube
sample taking into account inequality constraints among input variables. The technique
relies on optimized permutations of an initial Latin hypercube design. Similarly, Bowman
and Woods 66 proposed a method that optimizes space-filling designs, weighting the
distance between points by multivariate dependencies between input variables.
Saturated and supersaturated Comment: as discussed in the recent reviews,67,68 there are cases, such as screening, where a
designs relatively large number of input variables are studied. When there is strong limitation on the
size of the experimental design, then saturated and supersaturated designs may have to be
considered. In such designs, the number of input variables or degrees of freedom in the
modeling technique is close to or exceeds the number of runs. This is a very important topic
in the design and analysis of computer experiments because the computational costs
associated with the simulations (e.g., in computational fluid dynamics and crash analysis)
can drastically limit the size of the experimental designs (not only used for screening but
also in the actual modeling itself).
Example of work: Butler 69 presented a discussion on supersaturated Latin hypercube
designs and the conditions for a design to be optimal under the E(s2) -optimality criterion
(used in supersaturated designs).
Sequential sampling Comment: this is the case in which a first set of points is used to create a surrogate model,
which turns out to perform poorly. Then, the experimental design is augmented so that with
the new points the quality of the surrogate model would improve.
Example of work: Rennen et al. 70 proposed nested designs, which the resulting new design
is also a Latin hypercube (one advantage of such approach is the easy of computation and
potentially large number of new points). On the other hand, several authors have proposed
using surrogate models, such as the Gaussian process (e.g., by maximizing its uncertainty)
and ensemble of surrogates (e.g., by maximizing a disagreement metric), to help identifying
the next sampling points. The interested reader is referred to 17 and 71–75.

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

freely available at the Simulation Experiments and Efficient Designs (SEED) Center website (http://harvest.nps.edu), in addition to a
catalogue of ready-to-use, nearly orthogonal designs for up to 22 variables in as few as 129 points.
As any other design of experiment, the Latin hypercube also suffers from the curse of dimensionality.56 While uniformity in
each dimension is preserved, the space filling properties become questionable. As the number of variables increase, it becomes
harder to fill the design space. When optimization pushes points further apart, the sample tends to create a vacuum in the center
of the design space. Again, this is not observed only in Latin hypercube designs, and it is something that is typical in high
dimensions.

3.4. When studying computer experiments, should Latin hypercube designs always be used?
In general, design for computer experiments should observe good coverage of the design space, many levels for each variable, and
good projection properties. Sure, the Latin hypercube designs conveniently suit all that, but that does not guarantee they will always
provide the best initial sample for a given problem. Figure 6 illustrates a Hammersley design in two-dimensional space. Using only
visual inspection, this design could very well be rated as a Latin hypercube with good space filling properties, just like the one
illustrated in Figure 2(c).
Because different sampling strategies (including their optimized variants) might lead to similar designs in terms of space-filling
properties, literature does not point to any particular approach that would work best all the time.57,58 In fact, Qu and Haftka 59 and
Goel et al. 60 have empirically demonstrated losses associated with using a single experimental design strategy (they even suggested
combing different design of experiments, such as full factorial and face centered with the Latin hypercube design, when the
computational budget allows).

3.5. Where are the research opportunities in Latin hypercube design?


Although a lot was accomplished since the introductory papers of Mckay et al. 18 and Iman and Conover,19 there are still plenty of open
issues. Table II discusses some research topics that are still open. Overall, one strong tendency is to expand the capabilities by possibly
having to relax some of the Latin hypercube properties.

4. Summary and conclusions


This paper presented an overview of the research in Latin hypercube sampling. The objective was to offer, especially to the
newcomers, a critical view on this class of design of experiments. To do that, the discussion was divided into five topics: popularity,
optimization, drawbacks, alternatives, and open issues. After going through these topics, the reader should have an appreciation for
the work that was already performed to improve the originally proposed Latin hypercube design.
The reader should be able to recognize that Latin hypercube designs are very well accepted (particularly in studying computer
experiments) because of flexibility in terms of data density and location, and in addition, non-collapsing and optimizable space-filling
properties. Hopefully, this paper made the research in terms of Latin hypercube optimization to be better appreciated both in terms
of algorithm and problem formulation.
The reader should also have a clear perception on the limitation of Latin hypercube sampling. The bottom line is that there is still
research on optimization schemes that generates space-filling and uncorrelated samples, as well as how to extend Latin hypercube
designs to large dimensional spaces. With that in mind, the reader was pointed to some papers about experimental designs for
computer experiments that are alternatives to Latin hypercube sampling (e.g., orthogonal arrays and Hammersley designs). This paper
also mentions literature that discusses the combination of sampling strategies when developing surrogate models.
Finally, some open issues and opportunities were highlighted in Table II. They should not be understood as the only important
research topics in Latin hypercube sampling. Instead, they represent a collection of relevant themes from the perspective of the
engineering design and optimization community. The presented discussion hopefully raised awareness about capabilities, limitations,
and what remains to be performed while providing a collection of relevant references for the interested reader.

Acknowledgements
The author is very thankful to GE for supporting the publication of this paper. The views expressed here reflect the views of the author
alone and do not necessarily reflect the views of GE.

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Appendix: Design and analysis of physical versus computer experiments


One might be tempted to see more similarities than differences between design and analysis of physical and computer experiments.
After all, the goal is to build a model that represents the relationship between inputs and outputs at a satisfactory degree of accuracy.
Certainly, design and analysis of physical experiments is a much older field (for example, see the seminal book by Fisher 76 or early
papers like).77–80 Thus, sampling and modeling techniques for physical experiments were first developed in a time where computers
had very limited capabilities (that might be a reason for the extensive use of polynomial response surface). On the other hand, the
design and analysis of computer experiments is relatively recent (see seminal paper by Sacks et al.);1 and since the beginning, the
field could take advantage of better computers.
Within the context of this paper, computer models are deterministic∥ (given a set of inputs, the outputs are always the same) and
build to represent physical systems at given fidelity level (degree of physics the model can describe). On the other hand, physical
experiments are stochastic because they are susceptible to measurement error and nuisance variables (that may or may not be
recognized) causing variation in the response. The notion of fidelity level may appear, but physical experiments tend to be seem


Obviously, there are stochastic computer codes (e.g., simulations based on Monte Carlo methods). The interested reader can find further reading in 82,83
.

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015
F. A. C. VIANA

as observation of reality (again, probably corrupted by some error). Obviously, there are cases (e.g., high-energy physics) where
physical similitude needs to be explored. In such cases, an easier-to-control experiment ‘approximates reality’ (e.g., experiments
conducted at lower temperatures with results appropriately scaled to estimate what would happen at high temperatures).
With that said, design of experiment strategies for physical experiments needs to incorporate concepts like randomization,
blocking, and replication. Randomizing the order of applying the experimental inputs is important for mitigating the effect of
unrecognized nuisance variables. Blocking (arrangement of experimental units in groups) reduces the impact of recognized nuisance
variables; and finally, replication helps quantify and reduce the effects of measurement error. Obviously, these concepts are not as
important (or not at all) in computer experiments (there are no nuisance variables and, in the deterministic case, no equivalent of
measurement error).
In general, computer experiments are used to make analysis of physical systems easier (or sometimes possible). This notion implies
that computer experiments tend to be relatively cheaper than their physical counterparts.** As a result, computer models are used in
sensitivity analysis, reliability assessment, design optimization, and a number of other studies that tend to require a large number of
function evaluations. Very often, there is limited previous knowledge (particularly in situations like conceptual design) and engineers,
designers, and analysts tend explore a large number of input variables (defined over relatively large domains). Obviously, physical
experiments are still part of most system analysis. For one thing, data from physical experiments would be used for validating,
calibrating, and quantifying uncertainty in computer models. In engineering systems, physical experiments are vital in early phases
of design such as in material characterization, coupon, and element tests.

Authors' biography
Felipe A. C. Viana is a member of the Probabilistics Laboratory at GE Global Research. His responsibilities include delivering
state-of-the-art probabilistic design methods with applications in aero-thermal and mechanical systems from new designs to
fielded product quality improvement across GE businesses. He earned his first Doctor of Philosophy degree in Mechanical
Engineering from the Federal University of Uberlandia (Brazil) with the dissertation “Surrogate Modeling Techniques and
Heuristic Optimization Methods Applied to Design and Identification Problems” in 2008. He earned a second doctorate, in
Aerospace Engineering, from the University of Florida with the dissertation “Multiple Surrogates for Prediction and
Optimization” in 2011. The research of Dr. Viana has produced more than 50 papers in the top journals and conferences in
the field of probabilistics and optimization methods. His research interests include design and analysis of experiments,
probabilistic modeling and uncertainty quantification, Bayesian statistics, and multidisciplinary design optimization.

**
Keep in mind that there might be cases in which that does not hold. For example, studying flapping wings in micro aerial vehicles 81 might sometimes be cheaper
through prototyping rather than simulations. Once the test facility is available (which tends to be the expensive part), building and testing different wing
configurations become more affordable than running full-fledged unsteady computational fluid dynamics models.

Copyright © 2015 John Wiley & Sons, Ltd. Qual. Reliab. Engng. Int. 2015

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