Ebook Applied multivariate statistical analysis (5th edition) Part 1

(BQ) Part 1 book Applied multivariate statistical analysis has contents: Aspects of multivariate analysis, matrix algebra and random vectors; sample geometry and random sampling; sample geometry and random sampling; sample geometry and random sampling; comparisons of several multivariate means.

Applied Multivariate Statistical Analysis

Applied Multivariate

Statistical Analysis

RICHARD A JOH N SON

University of Wisconsin-Madison

DEAN W WICH ERN

Texas A&M University

Library of Congress Cataloging-in-Publication Data

Johnson, Richard Arnold

Applied multivariate statistical analysis/Richard A Johnson. 5th ed

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To the memory of my mother and my father

R A J

To Dorothy, Michael, and Andrew

D W W

Contents

PREFACE

1 ASPECTS OF MULTIVARIATE ANALYSIS

1 1 Introduction 1 1.2 Applications of Multivariate Techniques 3 1.3 The Organization of Data 5

Arrays, 5 Descriptive Statistics, 6 Graphical Techniques, 11

1 4 Data Displays and Pictorial Representations 1 9

Linking Multiple Two-Dimensional Scatter Plots, 20 Graphs of Growth Curves, 24

Stars, 25 Chernoff Faces, 28

1.5 Distance 30 1.6 Final Comments 38

Exercises 38 References 48

2 MATRIX ALGEBRA AND RANDOM VECTORS

2.1 Introduction 50 2.2 Some Basics of Matrix and Vector Algebra 50

Vectors, 50 Matrices, 55

2.3 Positive Definite Matrices 61 2.4 A Square-Root Matrix 66 2.5 Random Vectors and Matrices 67 2.6 Mean Vectors and Covariance Matrices 68

Partitioning the Covariance Matrix, 74 The Mean Vecto r and Covariance Matrix for Linear Combinations of Random Variables, 76 Partitioning the Sample Mean Vector

and Covariance Matrix, 78

2.7 Matrix Inequalities and Maximization 79

XV

1

50

vii

viii Contents

Supplement 2A: Vectors and Matrices: Basic Concepts 84

Vectors, 84 Matrices, 89

Exercises 104 References 111

3 SAMPLE GEOMETRY AND RANDOM SAMPLING

3.1 Introduction 112 3.2 The Geometry of the Sample 112 3.3 Random Samples and the Expected Values of the Sample Mean and

Covariance Matrix 120 3.4 Generalized Variance 124

Situations in which the Generalized Sample Variance Is Zero, 130 Generalized Variance Determined by I R I

and Its Geometrical Interpretation, 136 Another Generalization of Variance, 138

3.5 Sample Mean, Covariance, and Correlation

As Matrix Operations 139 3.6 Sample Values of Linear Combinations of Variables 141

Exercises 145 References 148

4 THE MULTIVARIATE NORMAL DISTRIBUTION

4.1 Introduction 149 4.2 The Multivariate Normal Density and Its Properties 149

Additional Properties of the Multivariate Normal Distribution, 156

4.3 Sampling from a Multivariate Normal Distribution

and Maximum Likelihood Estimation 168

The Multivariate Normal Likelihood, 168 Maximum Likelihood Estimation of JL and I, 170 Sufficient Statistics, 173

4.4 The Sampling Distribution of X and S 173

Properties of the Wishart Distribution, 174

4.5 Large-Sample Behavior of X and S 175 4.6 Assessing the Assumption of Normality 177

Evaluating the Normality of the Univariate Marginal Distributions, 178 Evaluating Bivariate Normality, 183

4.7 Detecting Outliers and Cleaning Data 189

Steps for Detecting Outliers, 190

4.8 Transformations To Near Normality 194

Transforming Multivariate Observations, 198

Exercises 202 References 209

112

149

5.3 Hotelling's T2 and Likelihood Ratio Tests 216

General Likelihood Ratio Method, 219

5.4 Confidence Regions and Simultaneous Comparisons

of Component Means 220

Simultaneous Confidence Statements, 223

A Comparison of Simultaneous Confidence Intervals

with One-at-a- Time Intervals, 229 The Bonferroni Method of Multiple Comparisons, 232

5.5 Large Sample Inferences about a Population Mean Vector 234

5.6 Multivariate Quality Control Charts 239

Charts for Monitoring a Sample of Individual Multivariate Observations

for Stability, 241 Contro l Regions for Future Individual Observations, 247

Control Ellipse for Future Observations, 248

T2-Chart for Future Observations, 248

Control Charts Based on Subsample Means, 249

Control Regions for Future Subsample Observations, 251

5.7 Inferences about Mean Vectors

when Some Observations Are Missing 252

5.8 Difficulties Due to Time Dependence

in Multivariate Observations 256

Supplement SA: Simultaneous Confidence Intervals and Ellipses

as Shadows of the p-Dimensional Ellipsoids 258 Exercises 260

A Repeated Measures Design for Comparing Treatments, 278

6.3 Comparing Mean Vectors from Two Populations 283

Assumptions Concerning the Structure of the Data, 283

Further Assumptions when n1 and n2 Are Small, 284

Simultaneous Confidence Intervals, 287

The Two-Sample Situation when �1 i= �2, 290

6.4 Comparing Several Multivariate Population Means

( One-Way Manova ) 293

Assumptions about the Structure of the Data for One-way MAN OVA, 293

A Summary of Univariate AN OVA, 293

Multivariate Analysis of Variance (MAN OVA), 298

210

272

x Contents

6.5 Simultaneous Confidence Intervals for Treatment Effects 305

6.6 Two-Way Multivariate Analysis of Variance 307

Univariate Two-Way Fixed-Effects Model with Interaction, 307 Multivariate Two-Way Fixed-Effects Model with Interaction, 309 6.7 Profile Analysis 318

6.8 Repeated Measures Designs and Growth Curves 323

6.9 Perspectives and a Strategy for Analyzing

Sum-of-Squares Decomposition, 360 Geometry of Least Squares, 361 Sampling Properties of Classical Least Squares Estimators, 363

7.4 Inferences About the Regression Model 365

Inferences Concerning the Regression Parameters, 365 Likelihood Ratio Tests for the Regression Parameters, 370

7.5 Inferences from the Estimated Regression Function 374

Estimating the Regression Function at z0, 374 Forecasting a New Observation at z0, 375 7.6 Model Checking and Other Aspects of Regression 377

Does the Model Fit?, 377 Leverage and Influence, 380 Additional Problems in Linear Regression, 380

7.7 Multivariate Multiple Regression 383

Likelihood Ratio Tests for Regression Parameters, 392 Other Multivariate Test Statistics, 395

Predictions from Multivariate Multiple Regressions, 395

7.8 The Concept of Linear Regression 398

Prediction of Several Variables, 403 Partial Correlation Coefficient, 406

7.9 Comparing the Two Formulations of the Regression Model 407

Mean Corrected Form of the Regression Model, 407 Relating the Formulations, 409

7.10 Multiple Regression Models with Time Dependent Errors 410

Supplement 7 A: The Distribution of the Likelihood Ratio

for the Multivariate Multiple Regression Model 415

Exercises 417

References 424

354

Conte nts xi

8 PRINCIPAL COMPONENTS

8.1 Introduction 426

8.2 Population Principal Components 426

Principal Components Obtained from Standardized Variables, 432

Principal Components for Covariance Matrices

with Special Structures, 435

8.3 Summarizing Sample Variation by Principal Components 437

The Number of Principal Components, 440

Interpretation of the Sample Principal Components, 444

Standardizing the Sample Principal Components, 445

8.4 Graphing the Principal Components 450

8.5 Large Sample Inferences A 452

Large Sample Properties of Ai and ej, 452

Testing for the Equal Correlation Structure, 453

8.6 Monitoring Quality with Principal Components 455

Checking a Given Set of Measurements for Stability, 455

Controlling Future Values, 459

Supplement 8A: The Geometry of the Sample Principal

Component Approximation 462

The p-D imensional Geometrical Interpretation, 464

The n-D imensional Geometrical Interpretation, 465

Exercises 466

References 475

9 FACTOR ANALYSIS AND INFERENCE

FOR STRUCTURED COVARIANCE MATRICES

9.1 Introduction 477

9.2 The Orthogonal Factor Model 478

9.3 Methods of Estimation 484

The Principal Component (and Principal Factor) Method, 484

A Modified Approach-the Principal Factor So lution, 490

The Maximum Likelihood Method, 492

A Large Sample Test for the Number of Common Factors, 498

9.4 Factor Rotation 501

Oblique Rotations, 509

9.5 Factor Scores 510

The Weighted Least Squares Method, 511

The Regression Method, 513

9.6 Perspectives and a Strategy for Factor Analysis 517

9.7 Structural Equation Models 524

The LISREL Model, 525

Construction of a Path Diagram, 525

xii Contents

Supplement 9A: Some Computational Details

for Maximum Likelihood Estimation 530

Recommended Computational Scheme, 531 Maximum Likelihood Estimators of p = LzL'z + \flz, 532

Exercises 533

References 541

10 CANONICAL CORRELATION ANALYSIS

10.1 Introduction 543 10.2 Canonical Variates and Canonical Correlations 543 10.3 Interpreting the Population Canonical Variables 551

Identifying the Canonical Variables, 551 Canonical Correlations as Generalizations

of Other Correlation Coefficients, 553 The First r Canonical Variables as a Summary of Variability, 554

A Geometrical Interpretation of the Population Canonical Correlation Analysis 555

10.4 The Sample Canonical Variates and Sample

Canonical Correlations 556 10.5 Additional Sample Descriptive Measures 564

Matrices of Errors of Approximations, 564 Proportions of Explained Sample Variance, 567

10.6 Large Sample Inferences 569

Exercises 573

References 580

11 DISCRIMINATION AND CLASSIFICATION

11.1 Introduction 581 11.2 Separation and Classification for Two Populations 582 11.3 Classification with Two Multivariate Normal Populations 590

Classification of Normal Populations When I1 = I2 = I, 590 Scaling, 595

Classification of Normal Populations When I1 #:- I2, 596

11.4 Evaluating Classification Functions 598 11.5 Fisher's Discriminant Function-Separation of Populations 609 11.6 Classification with Several Populations 612

The Minimum Expected Cost of Misclassification Method, 613 Classification with Normal Populations, 616

11.7 Fisher's Method for Discriminating

among Several Populations 628

Using Fisher's Discriminants to Classify Objects, 635

Distances and Similarity Coefficients for Pairs of Items, 670

Similarities and Association Measures

for Pairs of Variables, 676 Concluding Comments on Similarity, 677

12.3 Hierarchical Clustering Methods 679

Single Linkage, 681

Complete Linkage, 685 Average Linkage, 689

Ward's Hierarchical Clustering Method, 690

Final Comments-Hierarchical Procedures, 693

12.4 Nonhierarchical Clustering Methods 694

12.8 Procrustes Analysis: A Method

for Comparing Configurations 723

Constructing the Procrustes Measure of Agreement, 724

Supplement 12A: Data Mining 731

Our aim is to present the concepts and methods of multivariate analysis at a level that is readily understandable by readers who have taken two or more statistics cours­

es We emphasize the applications of multivariate methods and, consequently, have attempted to make the mathematics as palatable as possible We avoid the use of cal­ culus On the other hand, the concepts of a matrix and of matrix manipulations are important We do not assume the reader is familiar with matrix algebra Rather, we introduce matrices as they appear naturally in our discussions, and we then show how they simplify the presentation of multivariate models and techniques

The introductory account of matrix algebra, in Chapter 2, highlights the more important matrix algebra results as they apply to multivariate analysis The Chapter

2 supplement provides a summary of matrix algebra results for those with little or no previous exposure to the subject This supplementary material helps make the book self-contained and is used to complete proofs The proofs may be ignored on the first reading In this way we hope to make the book accessible to a wide audience

In our attempt to make the study of multivariate analysis appealing to a large audience of both practitioners and theoreticians, we have had to sacrifice a consistency

XV

xvi Prefa ce

of level Some sections are harder than others In particular, we have summarized a voluminous amount of material on regression in Chapter 7 The resulting presenta­ tion is rather succinct and difficult the first time through We hope instructors will be able to compensate for the unevenness in level by judiciously choosing those sec­ tions, and subsections, appropriate for their students and by toning them down if necessary

ORGAN IZATION AN D APPROACH

The methodological "tools" of multivariate analysis are contained in Chapters 5

through 12 These chapters represent the heart of the book, but they cannot be as­ similated without much of the material in the introductory Chapters 1 through 4

Even those readers with a good knowledge of matrix algebra or those willing to ac­ cept the mathematical results on faith should, at the very least, peruse Chapter 3,

"Sample Geometry," and Chapter 4, "Multivariate Normal Distribution."

Our approach in the methodological chapters is to keep the discussion direct and uncluttered Typically, we start with a formulation of the population models, delineate the corresponding sample results, and liberally illustrate everything with examples The examples are of two types: those that are simple and whose calculations can be eas­ ily done by hand, and those that rely on real-world data and computer software These will provide an opportunity to (1) duplicate our analyses, (2) carry out the analyses dictated by exercises, or (3) analyze the data using methods other than the ones we have used or suggested

The division of the methodological chapters (5 through 12) into three units al­ lows instructors some flexibility in tailoring a course to their needs Possible sequences for a one-semester (two quarter) course are indicated schematically

Each instructor will undoubtedly omit certain sections from some chapters to cover a broader collection of topics than is indicated by these two choices

Getting Started Chapters 1-4

P reface xvii

these sections of the text Instructors may rely on diagrams and verbal descriptions

to teach the corresponding theoretical developments If the students have uniform­

ly strong mathematical backgrounds, much of the book can successfully be covered

in one term

We have found individual data-analysis proj ects useful for integrating materi­

al from several of the methods chapters Here, our rather complete treatments of multivariate analysis of variance (MANOVA), regression analysis, factor analysis, canonical correlation, discriminant analysis, and so forth are helpful, even though they may not be specifically covered in lectures

CHANGES TO TH E FI FTH EDITI ON

New material Users of the previous editions will notice that we have added several exercises and data sets, some new graphics, and have expanded the discus­ sion of the dimensionality of multivariate data, growth curves and classification and regression trees (CART) In addition, the algebraic development of correspondence analysis has been redone and a new section on data mining has been added to Chap­ ter 12 We put the data mining material in Chapter 12 since much of data mining, as

it is now applied in business, has a classification and/or grouping objective As always,

we have tried to improve the exposition in several places

Data CD Recognizing the importance of modern statistical packages in the analysis of multivariate data, we have added numerous real-data sets The full data sets used in the book are saved as ASCII files on the CD-ROM that is packaged with each copy of the book This format will allow easy interface with existing statistical software packages and provide more convenient hands-on data analysis opportunities

Instructors Sol utions Manual An Instructors Solutions Manual (ISBN 092555-1) containing complete solutions to most of the exercises in the book is avail­ able free upon adoption from Prentice Hall

0-13-For information on additional for sale supplements that may be used with the book or additional titles of interest, please visit the Prentice Hall Web site at www.prenhall.com

ACKNOWLEDGMENTS

We thank our many colleagues who helped improve the applied aspect of the book

by contributing their own data sets for examples and exercises A number of indi­ viduals helped guide this revision, and we are grateful for their suggestions: Steve Coad, University of Michigan; Richard Kiltie, University of Florida; Sam Kotz, George Mason University; Shyamal Peddada, University of Virginia; K Sivakumar, Univer­ sity of Illinois at Chicago; Eric Smith, Virginia Tech; and Stanley Wasserman, Uni­ versity of Illinois at Urbana-Champaign We also acknowledge the feedback of the students we have taught these past 30 years in our applied multivariate analysis cours­

es Their comments and suggestions are largely responsible for the present iteration

Jacquelyn Forer did most of the typing of the original draft manuscript, and we ap­ preciate her expertise and willingness to endure the cajoling of authors faced with pub­ lication deadlines Finally, we would like to thank Quincy McDonald, Joanne Wendelken, Steven Scott Pawlowski, Pat Daly, Linda Behrens, Alan Fischer, and the rest of the Prentice Hall staff for their help with this project

R A Johnson

rich@stat wisc.edu

D W Wichern

d-wichern@tamu.edu

Applied Multivariate Statistical Analysis

of methodology is called multivariate analysis

The need to understand the relationships between many variables makes mul­ tivariate analysis an inherently difficult subject Often, the human mind is over­ whelmed by the sheer bulk of the data Additionally, more mathematics is required

to derive multivariate statistical techniques for making inferences than in a univari­ ate setting We have chosen to provide explanations based upon algebraic concepts and to avoid the derivations of statistical results that require the calculus of many variables Our objective is to introduce several useful multivariate techniques in a clear manner, making heavy use of illustrative examples and a minimum of mathe­ matics Nonetheless, some mathematical sophistication and a desire to think quan­ titatively will be required

Most of our emphasis will be on the analysis of measurements obtained with­ out actively controlling or manipulating any of the variables on which the mea­ surements are made Only in Chapters 6 and 7 shall we treat a few experimental plans (designs) for generating data that prescribe the active manipulation of im­ portant variables Although the experimental design is ordinarily the most impor­ tant part of a scientific investigation, it is frequently impossible to control the generation of appropriate data in certain disciplines (This is true, for example, in business, economics, ecology, geology, and sociology.) You should consult [7] and

1

2 Ch a pter 1 Aspects of M u ltiva riate Ana lysis

[8] for detailed accounts of design principles that, fortunately, also apply to multi­ variate situations

It will become increasingly clear that many multivariate methods are based upon an underlying probability model known as the multivariate normal distribu­ tion Other methods are ad hoc in nature and are justified by logical or commonsense arguments Regardless of their origin, multivariate techniques must, invariably, be im­ plemented on a computer Recent advances in computer technology have been ac­ companied by the development of rather sophisticated statistical software packages, making the implementation step easier

Multivariate analysis is a "mixed bag." It is difficult to establish a classification scheme for multivariate techniques that both is widely accepted and indicates the appropriateness of the techniques One classification distinguishes techniques de­ signed to study interdependent relationships from those designed to study depen­ dent relationships Another classifies techniques according to the number of populations and the number of sets of variables being studied Chapters in this text are divided into sections according to inference about treatment means, inference about covariance structure, and techniques for sorting or grouping This should not, however, be considered an attempt to place each method into a slot Rather, the choice of methods and the types of analyses employed are largely determined by the objectives of the investigation In Section 1.2, we list a smaller number of practical problems designed to illustrate the connection between the choice of a statistical method and the obj ectives of the study These problems, plus the examples in the text, should provide you with an appreciation for the applicability of multivariate techniques across different fields

The objectives of scientific investigations to which multivariate methods most naturally lend themselves include the following:

1 Data reduction or structural simplification The phenomenon being studied is represented as simply as possible without sacrificing valuable information It

is hoped that this will make interpretation easier

2 Sorting and grouping Groups of "similar" obj ects or variables are created, based upon measured characteristics Alternatively, rules for classifying obj ects into well-defined groups may be required

3 Investigation of the dependence among variables The nature of the relation­ ships among variables is of interest Are all the variables mutually indepen­ dent or are one or more variables dependent on the others? If so, how?

4 Prediction Relationships between variables must be determined for the pur­ pose of predicting the values of one or more variables on the basis of observa­ tions on the other variables

5 Hypothesis construction and testing Specific statistical hypotheses, formulated

in terms of the parameters of multivariate populations, are tested This may be done to validate assumptions or to reinforce prior convictions

We conclude this brief overview of multivariate analysis with a quotation from

F H C Marriott [19], page 89 The statement was made in a discussion of cluster analysis, but we feel it is appropriate for a broader range of methods You should

Section 1 2 App l i cations of M u ltivariate Tec h n i ques 3

keep it in mind whenever you attempt or read about a data analysis It allows one to maintain a proper perspective and not be overwhelmed by the elegance of some of the theory:

If the results disagree with informed opinion, do not admit a simple logical interpreta­ tion, and do not show up clearly in a graphical presentation, they are probably wrong There is no magic about numerical methods, and many ways in which they can break down They are a valuable aid to the interpretation of data, not sausage machines au­ tomatically transforming bodies of numbers into packets of scientific fact

1 2 APPLICATI ONS OF M U LTIVARIATE TECH NIQUES

The published applications of multivariate methods have increased tremendously in recent years It is now difficult to cover the variety of real-world applications of these methods with brief discussions, as we did in earlier editions of this book However,

in order to give some indication of the usefulness of multivariate techniques, we offer the following short descriptions of the results of studies from several disciplines These descriptions are organized according to the categories of objectives given in the previous section Of course, many of our examples are multifaceted and could be placed in more than one category

Data reduction or simplification

• Using data on several variables related to cancer patient responses to radio­ therapy, a simple measure of patient response to radiotherapy was constructed (See Exercise 1.15.)

• Track records from many nations were used to develop an index of performance for both male and female athletes (See [10] and [22].)

• Multispectral image data collected by a high-altitude scanner were reduced to

a form that could be viewed as images (pictures) of a shoreline in two dimen­ sions (See [23].)

• Data on several variables relating to yield and protein content were used to create an index to select parents of subsequent generations of improved bean plants (See [14 ] )

• A matrix of tactic similarities was developed from aggregate data derived from professional mediators From this matrix the number of dimensions by which professional mediators judge the tactics they use in resolving disputes was de­ termined (See [21 ].)

Sorting and grouping

• Data on several variables related to computer use were employed to create clusters of categories of computer jobs that allow a better determination of ex­ isting (or planned) computer utilization (See [2].)

• Measurements of several physiological variables were used to develop a screen­ ing procedure that discriminates alcoholics from nonalcoholics (See [26].)

4 Chapter 1 Aspects of M u ltiva r i ate Ana lys i s

• Data related to responses to visual stimuli were used to develop a rule for sep­ arating people suffering from a multiple-sclerosis-caused visual pathology from those not suffering from the disease (See Exercise 1.14.)

• The U.S Internal Revenue Service uses data collected from tax returns to sort taxpayers into two groups: those that will be audited and those that will not (See [31].)

Investigation of the dependence among variables

• Data on several variables were used to identify factors that were responsible for client success in hiring external consultants (See [13] )

• Measurements of variables related to innovation, on the one hand, and vari­ ables related to the business environment and business organization, on the other hand, were used to discover why some firms are product innovators and some firms are not (See [5] )

' Data on variables representing the outcomes of the 10 decathlon events in the Olympics were used to determine the physical factors responsible for success in the decathlon (See [17] )

• The associations between measures of risk-taking propensity and measures of socioeconomic characteristics for top-level business executives were used to as­ sess the relation between risk-taking behavior and performance (See [18].) Prediction

• The associations between test scores and several high school performance vari­ ables and several college performance variables were used to develop predic­ tors of success in college (See [11].)

• Data on several variables related to the size distribution of sediments were used to develop rules for predicting different depositional environments (See

[9] and [20] )

• Measurements on several accounting and financial variables were used to de­ velop a method for identifying potentially insolvent property-liability insurers (See [28] )

• Data on several variables for chickweed plants were used to develop a method for predicting the species of a new plant (See [4] )

Hypotheses testing

• Several pollution-related variables were measured to determine whether levels for a large metropolitan area were roughly constant throughout the week, or whether there was a noticeable difference between weekdays and weekends (See Exercise 1.6.)

• Experimental data on several variables were used to see whether the nature of the instructions makes any difference in perceived risks, as quantified by test scores (See [27] )

• Data on many variables were used to investigate the differences in structure of American occupations to determine the support for one of two competing so­ ciological theories (See [16] and [25] )

Section 1.3 The Orga n i zation of Data 5

• Data on several variables were used to determine whether different types of firms in newly industrialized countries exhibited different patterns of innova­ tion (See [15].)

The preceding descriptions offer glimpses into the use of multivariate methods

in widely diverse fields

We now introduce the preliminary concepts underlying these first steps of data organization

Arrays Multivariate data arise whenever an investigator, seeking to understand a social or physical phenomenon, selects a number p > 1 of variables or characters to record The values of these variables are all recorded for each distinct item, individual, or

X = xjl xj2 Xjk Xjp

Xnl Xn2 Xnk Xnp

6 Chapter 1 Aspects of M u ltiva r i ate Ana lysis

The array X, then, contains the data consisting of all of the observations on all of the variables

Example 1 1 (A data a rray)

A selection of four receipts from a university bookstore was obtained in order

to investigate the nature of book sales Each receipt provided, among other things, the number of books sold and the total amount of each sale Let the first variable be total dollar sales and the second variable be number of books sold Then we can regard the corresponding numbers on the receipts as four measurements on two variables Suppose the data, in tabular form, are

Variable 1 ( dollar sales) : 42 52 48 58

Variable 2 (number of books) : 4 5 4 3

Using the notation just introduced, we have

x1 1 = 42 x2 1 = 52 x3 1 = 48 x4 1 = 58 x1 2 = 4 x2 2 = 5 x32 = 4 x42 = 3

and the data array X is

Descriptive Statistics

A large data set is bulky, and its very mass poses a serious obstacle to any attempt to visually extract pertinent information Much of the information contained in the data can be assessed by calculating certain summary numbers, known as descriptive statistics For example, the arithmetic average, or sample mean, is a descriptive sta­ tistic that provides a measure of location-that is, a "central value" for a set of num­ bers And the average of the squares of the distances of all of the numbers from the mean provides a measure of the spread, or variation, in the numbers

We shall rely most heavily on descriptive statistics that measure location, vari­ ation, and linear association The formal definitions of these quantities follow

Section 1 3 The Organ ization of Data 7

Let x1 1 , x2 1 , , xn 1 be n measurements on the first variable Then the arith­ metic average of these measurements is

If the n measurements represent a subset of the full set of measurements that might have been observed, then x1 is also called the sample mean for the first vari­ able We adopt this terminology because the bulk of this book is devoted to proce­ dures designed for analyzing samples of measurements from larger collections The sample mean can be computed from the n measurements on each of the

p variables, so that, in general, there will be p sample means:

Second, although the s2 notation is traditionally used to indicate the sample variance, we shall eventually consider an array of quantities in which the sample vari­ ances lie along the main diagonal In this situation, it is convenient to use double subscripts on the variances in order to indicate their positions in the array Therefore,

we introduce the notation skk to denote the same variance computed from measure­ ments on the ith variable, and we have the notational identities

8 Chapter 1 Aspects of M u ltiva r i ate Ana lysis

That is, xj 1 and xj2 are observed on the jth experimental item (j = 1, 2, , n ) A measure of linear association between the measurements of variables 1 and 2 is pro­ vided by the sample covariance

1 n s12 = -n j=l :L (xj l - xl ) (xj2 - x2)

or the average product of the deviations from their respective means If large values for one variable are observed in conjunction with large values for the other variable, and the small values also occur together, s12 will be positive If large values from one variable occur with small values for the other variable, s1 2 will be negative If there is no partic­ ular association between the values for the two variables, s12 will be approximately zero The sample covariance

1 n s;k = n � (xi; - X;) ( xik - Xk) i = 1,2, , p, k = 1, 2, , p (1-4)

measures the association between the ith and kth variables We note that the covari­ ance reduces to the sample variance when i = k Moreover, sik = ski for all i and k The final descriptive statistic considered here is the sample correlation coefficient

(or Pearson's product-moment correlation coefficient; see [3]) This measure of the lin­ ear association between two variables does not depend on the units of measurement The sample correlation coefficient for the ith and kth variables is defined as

n

:L ( xji - xJ (xjk - xk) j= l

The sample correlation coefficient rik can also be viewed as a sample covariance

Suppose the original values xji and xjk are replaced by standardized values ( xji - xi)/�

and (xjk - xk)j� The standardized values are commensurable because both sets are centered at zero and expressed in standard deviation units The sample correlation co­ efficient is just the sample covariance of the standardized observations

Although the signs of the sample correlation and the sample covariance are the same, the correlation is ordinarily easier to interpret because its magnitude is bound­

ed To summarize, the sample correlation r has the following properties:

1 The value of r must be between -1 and + 1

2 Here r measures the strength of the linear association If r = 0 , this implies a lack of linear association between the components Otherwise, the sign of r in­ dicates the direction of the association: r < 0 implies a tendency for one value

in the pair to be larger than its average when the other is smaller than its aver­ age; and r > 0 implies a tendency for one value of the pair to be large when the other value is large and also for both values to be small together

Sect i o n 1 3 The Organ ization of Data 9

3 The value of rik remains unchanged if the measurements of the ith variable are changed to yjl = axji + b, j = 1, 2, , n, and the values of the kth variable are changed to Yjk = cxjk + d, j = 1, 2, , n, provided that the constants a

and c have the same sign

The quantities sik and rik do not, in general, convey all there is to know about the association between two variables Nonlinear associations can exist that are not revealed by these descriptive statistics Covariance and correlation provide mea­ sures of linear association, or association along a line Their values are less informa­ tive for other kinds of association On the other hand, these quantities can be very sensitive to "wild" observations ("outliers") and may indicate association when, in fact, little exists In spite of these shortcomings, covariance and correlation coefficients are routinely calculated and analyzed They provide cogent numerical summaries of as­ sociation when the data do not exhibit obvious nonlinear patterns of association and when wild observations are not present

Suspect observations must be accounted for by correcting obvious recording mistakes and by taking actions consistent with the identified causes The values of sik

and rik should be quoted both with and without these observations

The sum of squares of the deviations from the mean and the sum of cross­ product deviations are often of interest themselves These quantities are

The descriptive statistics computed from n measurements on p variables can also

be organized into arrays

1 0 Chapter 1 Aspects of M u ltiva r i ate Ana lysis

The sample mean array is denoted by x, the sample variance and covariance array by the capital letter Sn , and the sample correlation array by R The subscript

n on the array Sn is a mnemonic device used to remind you that n is employed as a divisor for the elements sik The size of all of the arrays is determined by the num­ ber of variables, p

The arrays Sn and R consist of prows and p columns The array x is a single col­ umn with p rows The first subscript on an entry in arrays Sn and R indicates the row; the second subscript indicates the column Since sik = ski and rik = rki for all i and k, the entries in symmetric positions about the main northwest-southeast diagonals in arrays Sn and R are the same, and the arrays are said to be symmetric

Example 1 2 (The arrays x, Sn, and R for bivariate data) Consider the data introduced in Example 1 1 Each receipt yields a pair of measurements, total dollar sales, and number of books sold Find the ar­ rays x, Sn , and R

Since there are four receipts, we have a total of four measurements ( ob­ servations ) on each variable

and

The sample means are

4 x1 = � � xjl = � ( 42 + 52 + 48 + 58) = 50

j=l

4 x2 = � � xj2 = � ( 4 + 5 + 4 + 3 ) = 4

j= l

= � ( (4 - 4)2 + (5 - 4)2 + (4 - 4)2 + (3 - 4)2) = .5

4 s1 2 = � � (xj l - xl ) (xj2 - x2)

j= l

= � ( (42 - 50) (4 - 4) + ( 52 - 50) (5 - 4)

+ (48 - 50) (4 - 4) + ( 58 - 50) (3 - 4) ) = - 1 5

sn = [ -1.5 34 - 1 5.5 ]

The sample correlation is

is known as a scatter diagram or scatter plot

2 4 6 8 10 Figure 1 1 A scatter plot and

Dot diagram marg i nal dot diagrams

1 2 Chapter 1 Aspects of M u ltivariate Ana lysis

diagrams for rearranged data

Also shown in Figure 1 1 are separate plots of the observed values of variable

1 and the observed values of variable 2, respectively These plots are called (marginal) dot diagrams They can be obtained from the original observations or by projecting the points in the scatter diagram onto each coordinate axis

The information contained in the single-variable dot diagrams can be used to calculate the sample means .X1 and .X2 and the sample variances s1 1 and s22 (See Ex­ ercise 1 1 ) The scatter diagram indicates the orientation of the points, and their co­ ordinates can be used to calculate the sample covariance s1 2 In the scatter diagram

of Figure 1.1, large values of x1 occur with large values of x2 and small values of x1

with small values of x2 • Hence, s12 will be positive

Dot diagrams and scatter plots contain different kinds of information The in­ formation in the marginal dot diagrams is not sufficient for constructing the scatter plot As an illustration, suppose the data preceding Figure 1.1 had been paired dif­ ferently, so that the measurements on the variables x1 and x2 were as follows:

which measures the association between pairs of variables, will now be negative The different orientations of the data in Figures 1 1 and 1 2 are not discernible from the marginal dot diagrams alone At the same time, the fact that the marginal dot diagrams are the same in the two cases is not immediately apparent from the scatter plots The two types of graphical procedures complement one another; they are not competitors

The next two examples further illustrate the information that can be conveyed

by a graphic display

Dun & Bradstreet

•

Time Warner

0 10 50 60 70 80 nu mber of employees for 16 publishing

Employees (thousands) firms

Example 1 3 (The effect of unusual observations on sample correlatio ns) Some financial data representing j obs and productivity for the 16 largest pub­ lishing firms appeared in an article in Forbes magazine on April 30, 1990 The data for the pair of variables x1 = employees (j obs) and x2 = profits per employee (productivity) are graphed in Figure 1.3 We have labeled two

"unusual" observations Dun & Bradstreet is the largest firm in terms of num­ ber of employees, but is "typical" in terms of profits per employee Time Warner has a "typical" number of employees, but comparatively small (negative) profits per employee

The sample correlation coefficient computed from the values of x1 and x2 is

- 39 for all 16 firms

- 56 for all firms but Dun & Bradstreet

- 39 for all firms but Time Warner

- 50 for all firms but Dun & Bradstreet and Time Warner

It is clear that atypical observations can have a considerable effect on the sam­

Example 1 4 (A scatter plot for baseball data)

In a July 17, 1978, article on money in sports, Sports Illustrated magazine pro­ vided data on x1 = player payroll for National League East baseball teams

We have added data on x2 = won-lost percentage for 1977 The results are given in Table 1.1

The scatter plot in Figure 1.4 supports the claim that a championship team can be bought Of course, this cause-effect relationship cannot be substantiat­

ed, because the experiment did not include a random assignment of payrolls Thus, statistics cannot answer the question: Could the Mets have won with $4

1 4 Chapter 1 Aspects of M u ltiva r i ate Ana lysis

TABLE 1 1 1 977 SALARY AN D FI NAL RECORD FOR TH E NATIONAL LEAG U E EAST

Team x1 = player payroll

x2 = won-lost percentage Philadelphia Phillies

Pittsburgh Pirates

St Louis Cardinals Chicago Cubs Montreal Expos New York Mets

� 0£) C\S 800

Example 1 5 {M u ltiple scatter plots for paper strength measu rements) Paper is manufactured in continuous sheets several feet wide Because of the orientation of fibers within the paper, it has a different strength when measured

in the direction produced by the machine than when measured across, or at right angles to, the machine direction Table 1.2 shows the measured values of

x1 = density (grams/cubic centimeter)

x2 = strength (pounds) in the machine direction x3 = strength (pounds) in the cross direction

A novel graphic presentation of these data appears in Figure 1 5 , page 16 The scatter plots are arranged as the off-diagonal elements of a co­ variance array and box plots as the diagonal elements The latter are on a different scale with this software, so we use only the overall shape to provide

Section 1 3 The Orga n i zation of Data 1 5

TABLE 1 2 PAPE R-Q UALITY M EASU R E M E NTS

Strength Specimen Density Machine direction Cross direction

1 6 Chapter 1 Aspects of M u ltivariate Ana lys is

:·

j_

These scatter plot arrays are further pursued in our discussion of new

In the general multiresponse situation, p variables are simultaneously record­

ed on n items Scatter plots should be made for pairs of important variables and, if the task is not too great to warrant the effort, for all pairs

Limited as we are to a three-dimensional world, we cannot always picture an en­ tire set of data However, two further geometric representations of the data provide

an important conceptual framework for viewing multivariable statistical methods

In cases where it is possible to capture the essence of the data in three dimensions, these representations can actually be graphed

Section 1 3 The Organ ization of Data 1 7

n Points in p Dimensions (p-Dimensional Scatter Plot) Consider the natur­

al extension of the scatter plot to p dimensions, where the p measurements

on the jth item represent the coordinates of a point in p-dimensional space The co­ ordinate axes are taken to correspond to the variables, so that the jth point is xj 1

units along the first axis, xj2 units along the second, , xj P units along the pth axis The resulting plot with n points not only will exhibit the overall pattern of variabili­

ty, but also will show similarities (and differences) among the n items Groupings of

items will manifest themselves in this representation

The next example illustrates a three-dimensional scatter plot

Example 1 6 (Looking for lower-d imensional structu re)

A zoologist obtained measurements on n = 25 lizards known scientifically as

Cophosaurus texanus The weight, or mass, is given in grams while the snout­ vent length (SVL) and hind limb span (HLS) are given in millimeters The data are displayed in Table 1.3

TABLE 1 3 LIZARD SIZE DATA

Lizard Mass SVL HLS Lizard Mass SVL HLS

Source: Data courtesy of Kevin E Bonine

Although there are three size measurements, we can ask whether or not most

of the variation is primarily restricted to two dimensions or even to one dimension

To help answer questions regarding reduced dimensionality, we construct the three-dimensional scatter plot in Figure 1 6 Clearly most of the variation

is scatter about a one-dimensional straight line Knowing the position on a line along the maj or axes of the cloud of points would be almost as good as know­ ing the three measurements Mass, SVL, and HLS

However, this kind of analysis can be missleading if one variable has a much larger variance than the others Consequently, we first calculate the stan­ dardized values, Zjk = (xjk - xk)/�, so the variables contribute equally to

1 8 Chapter 1 Aspects of M u ltiva riate Ana lysis

_ 2.5- 1 5 ZHLS Figure 1 7 3D scatter plot of

2 standardized lizard data

the variation in the scatter plot Figure 1.7 gives the three-dimensional scatter plot for the standardized variables Most of the variation can be explained by

a single variable determined by a line through the cloud of points •

A three-dimensional scatter plot can often reveal group structure

Example 1 7 (Looking for group structu re i n three dimensions) Referring to Example 1 6, it is interesting to see if male and female lizards oc­ cupy different parts of the three dimensional space containing the size data The gender, by row, for the lizard data in Table 1.3 are

f m f f m f m f m f m f m

m m m f m m m f f m f f Figure 1.8 repeats the scatter plot for the original variables but with males marked by solid circles and females by open circles Clearly, males are typically

consisting of all n measurements on the ith variable, determines the ith point

In Chapter 3, we show how the closeness of points in n dimensions can be re­ lated to measures of association between the corresponding variables

1 4 DATA DI SPLAYS AN D PICTORIAL REPRESENTATI ONS

The rapid development of powerful personal computers and workstations has led to

a proliferation of sophisticated statistical software for data analysis and graphics It

is often possible, for example, to sit at one's desk and examine the nature of multidi­ mensional data with clever computer-generated pictures These pictures are valu­ able aids in understanding data and often prevent many false starts and subsequent inferential problems

As we shall see in Chapters 8 and 12, there are several techniques that seek to represent p-dimensional observations in few dimensions such that the original dis­ tances ( or similarities ) between pairs of observations are ( nearly ) preserved In gen­ eral, if multidimensional observations can be represented in two dimensions, then outliers, relationships, and distinguishable groupings can often be discerned by eye

We shall discuss and illustrate several methods for displaying multivariate data in two dimensions One good source for more discussion of graphical methods is [12]