- •brief contents
- •contents
- •preface
- •acknowledgments
- •about this book
- •What’s new in the second edition
- •Who should read this book
- •Roadmap
- •Advice for data miners
- •Code examples
- •Code conventions
- •Author Online
- •About the author
- •about the cover illustration
- •1 Introduction to R
- •1.2 Obtaining and installing R
- •1.3 Working with R
- •1.3.1 Getting started
- •1.3.2 Getting help
- •1.3.3 The workspace
- •1.3.4 Input and output
- •1.4 Packages
- •1.4.1 What are packages?
- •1.4.2 Installing a package
- •1.4.3 Loading a package
- •1.4.4 Learning about a package
- •1.5 Batch processing
- •1.6 Using output as input: reusing results
- •1.7 Working with large datasets
- •1.8 Working through an example
- •1.9 Summary
- •2 Creating a dataset
- •2.1 Understanding datasets
- •2.2 Data structures
- •2.2.1 Vectors
- •2.2.2 Matrices
- •2.2.3 Arrays
- •2.2.4 Data frames
- •2.2.5 Factors
- •2.2.6 Lists
- •2.3 Data input
- •2.3.1 Entering data from the keyboard
- •2.3.2 Importing data from a delimited text file
- •2.3.3 Importing data from Excel
- •2.3.4 Importing data from XML
- •2.3.5 Importing data from the web
- •2.3.6 Importing data from SPSS
- •2.3.7 Importing data from SAS
- •2.3.8 Importing data from Stata
- •2.3.9 Importing data from NetCDF
- •2.3.10 Importing data from HDF5
- •2.3.11 Accessing database management systems (DBMSs)
- •2.3.12 Importing data via Stat/Transfer
- •2.4 Annotating datasets
- •2.4.1 Variable labels
- •2.4.2 Value labels
- •2.5 Useful functions for working with data objects
- •2.6 Summary
- •3 Getting started with graphs
- •3.1 Working with graphs
- •3.2 A simple example
- •3.3 Graphical parameters
- •3.3.1 Symbols and lines
- •3.3.2 Colors
- •3.3.3 Text characteristics
- •3.3.4 Graph and margin dimensions
- •3.4 Adding text, customized axes, and legends
- •3.4.1 Titles
- •3.4.2 Axes
- •3.4.3 Reference lines
- •3.4.4 Legend
- •3.4.5 Text annotations
- •3.4.6 Math annotations
- •3.5 Combining graphs
- •3.5.1 Creating a figure arrangement with fine control
- •3.6 Summary
- •4 Basic data management
- •4.1 A working example
- •4.2 Creating new variables
- •4.3 Recoding variables
- •4.4 Renaming variables
- •4.5 Missing values
- •4.5.1 Recoding values to missing
- •4.5.2 Excluding missing values from analyses
- •4.6 Date values
- •4.6.1 Converting dates to character variables
- •4.6.2 Going further
- •4.7 Type conversions
- •4.8 Sorting data
- •4.9 Merging datasets
- •4.9.1 Adding columns to a data frame
- •4.9.2 Adding rows to a data frame
- •4.10 Subsetting datasets
- •4.10.1 Selecting (keeping) variables
- •4.10.2 Excluding (dropping) variables
- •4.10.3 Selecting observations
- •4.10.4 The subset() function
- •4.10.5 Random samples
- •4.11 Using SQL statements to manipulate data frames
- •4.12 Summary
- •5 Advanced data management
- •5.2 Numerical and character functions
- •5.2.1 Mathematical functions
- •5.2.2 Statistical functions
- •5.2.3 Probability functions
- •5.2.4 Character functions
- •5.2.5 Other useful functions
- •5.2.6 Applying functions to matrices and data frames
- •5.3 A solution for the data-management challenge
- •5.4 Control flow
- •5.4.1 Repetition and looping
- •5.4.2 Conditional execution
- •5.5 User-written functions
- •5.6 Aggregation and reshaping
- •5.6.1 Transpose
- •5.6.2 Aggregating data
- •5.6.3 The reshape2 package
- •5.7 Summary
- •6 Basic graphs
- •6.1 Bar plots
- •6.1.1 Simple bar plots
- •6.1.2 Stacked and grouped bar plots
- •6.1.3 Mean bar plots
- •6.1.4 Tweaking bar plots
- •6.1.5 Spinograms
- •6.2 Pie charts
- •6.3 Histograms
- •6.4 Kernel density plots
- •6.5 Box plots
- •6.5.1 Using parallel box plots to compare groups
- •6.5.2 Violin plots
- •6.6 Dot plots
- •6.7 Summary
- •7 Basic statistics
- •7.1 Descriptive statistics
- •7.1.1 A menagerie of methods
- •7.1.2 Even more methods
- •7.1.3 Descriptive statistics by group
- •7.1.4 Additional methods by group
- •7.1.5 Visualizing results
- •7.2 Frequency and contingency tables
- •7.2.1 Generating frequency tables
- •7.2.2 Tests of independence
- •7.2.3 Measures of association
- •7.2.4 Visualizing results
- •7.3 Correlations
- •7.3.1 Types of correlations
- •7.3.2 Testing correlations for significance
- •7.3.3 Visualizing correlations
- •7.4 T-tests
- •7.4.3 When there are more than two groups
- •7.5 Nonparametric tests of group differences
- •7.5.1 Comparing two groups
- •7.5.2 Comparing more than two groups
- •7.6 Visualizing group differences
- •7.7 Summary
- •8 Regression
- •8.1 The many faces of regression
- •8.1.1 Scenarios for using OLS regression
- •8.1.2 What you need to know
- •8.2 OLS regression
- •8.2.1 Fitting regression models with lm()
- •8.2.2 Simple linear regression
- •8.2.3 Polynomial regression
- •8.2.4 Multiple linear regression
- •8.2.5 Multiple linear regression with interactions
- •8.3 Regression diagnostics
- •8.3.1 A typical approach
- •8.3.2 An enhanced approach
- •8.3.3 Global validation of linear model assumption
- •8.3.4 Multicollinearity
- •8.4 Unusual observations
- •8.4.1 Outliers
- •8.4.3 Influential observations
- •8.5 Corrective measures
- •8.5.1 Deleting observations
- •8.5.2 Transforming variables
- •8.5.3 Adding or deleting variables
- •8.5.4 Trying a different approach
- •8.6 Selecting the “best” regression model
- •8.6.1 Comparing models
- •8.6.2 Variable selection
- •8.7 Taking the analysis further
- •8.7.1 Cross-validation
- •8.7.2 Relative importance
- •8.8 Summary
- •9 Analysis of variance
- •9.1 A crash course on terminology
- •9.2 Fitting ANOVA models
- •9.2.1 The aov() function
- •9.2.2 The order of formula terms
- •9.3.1 Multiple comparisons
- •9.3.2 Assessing test assumptions
- •9.4 One-way ANCOVA
- •9.4.1 Assessing test assumptions
- •9.4.2 Visualizing the results
- •9.6 Repeated measures ANOVA
- •9.7 Multivariate analysis of variance (MANOVA)
- •9.7.1 Assessing test assumptions
- •9.7.2 Robust MANOVA
- •9.8 ANOVA as regression
- •9.9 Summary
- •10 Power analysis
- •10.1 A quick review of hypothesis testing
- •10.2 Implementing power analysis with the pwr package
- •10.2.1 t-tests
- •10.2.2 ANOVA
- •10.2.3 Correlations
- •10.2.4 Linear models
- •10.2.5 Tests of proportions
- •10.2.7 Choosing an appropriate effect size in novel situations
- •10.3 Creating power analysis plots
- •10.4 Other packages
- •10.5 Summary
- •11 Intermediate graphs
- •11.1 Scatter plots
- •11.1.3 3D scatter plots
- •11.1.4 Spinning 3D scatter plots
- •11.1.5 Bubble plots
- •11.2 Line charts
- •11.3 Corrgrams
- •11.4 Mosaic plots
- •11.5 Summary
- •12 Resampling statistics and bootstrapping
- •12.1 Permutation tests
- •12.2 Permutation tests with the coin package
- •12.2.2 Independence in contingency tables
- •12.2.3 Independence between numeric variables
- •12.2.5 Going further
- •12.3 Permutation tests with the lmPerm package
- •12.3.1 Simple and polynomial regression
- •12.3.2 Multiple regression
- •12.4 Additional comments on permutation tests
- •12.5 Bootstrapping
- •12.6 Bootstrapping with the boot package
- •12.6.1 Bootstrapping a single statistic
- •12.6.2 Bootstrapping several statistics
- •12.7 Summary
- •13 Generalized linear models
- •13.1 Generalized linear models and the glm() function
- •13.1.1 The glm() function
- •13.1.2 Supporting functions
- •13.1.3 Model fit and regression diagnostics
- •13.2 Logistic regression
- •13.2.1 Interpreting the model parameters
- •13.2.2 Assessing the impact of predictors on the probability of an outcome
- •13.2.3 Overdispersion
- •13.2.4 Extensions
- •13.3 Poisson regression
- •13.3.1 Interpreting the model parameters
- •13.3.2 Overdispersion
- •13.3.3 Extensions
- •13.4 Summary
- •14 Principal components and factor analysis
- •14.1 Principal components and factor analysis in R
- •14.2 Principal components
- •14.2.1 Selecting the number of components to extract
- •14.2.2 Extracting principal components
- •14.2.3 Rotating principal components
- •14.2.4 Obtaining principal components scores
- •14.3 Exploratory factor analysis
- •14.3.1 Deciding how many common factors to extract
- •14.3.2 Extracting common factors
- •14.3.3 Rotating factors
- •14.3.4 Factor scores
- •14.4 Other latent variable models
- •14.5 Summary
- •15 Time series
- •15.1 Creating a time-series object in R
- •15.2 Smoothing and seasonal decomposition
- •15.2.1 Smoothing with simple moving averages
- •15.2.2 Seasonal decomposition
- •15.3 Exponential forecasting models
- •15.3.1 Simple exponential smoothing
- •15.3.3 The ets() function and automated forecasting
- •15.4 ARIMA forecasting models
- •15.4.1 Prerequisite concepts
- •15.4.2 ARMA and ARIMA models
- •15.4.3 Automated ARIMA forecasting
- •15.5 Going further
- •15.6 Summary
- •16 Cluster analysis
- •16.1 Common steps in cluster analysis
- •16.2 Calculating distances
- •16.3 Hierarchical cluster analysis
- •16.4 Partitioning cluster analysis
- •16.4.2 Partitioning around medoids
- •16.5 Avoiding nonexistent clusters
- •16.6 Summary
- •17 Classification
- •17.1 Preparing the data
- •17.2 Logistic regression
- •17.3 Decision trees
- •17.3.1 Classical decision trees
- •17.3.2 Conditional inference trees
- •17.4 Random forests
- •17.5 Support vector machines
- •17.5.1 Tuning an SVM
- •17.6 Choosing a best predictive solution
- •17.7 Using the rattle package for data mining
- •17.8 Summary
- •18 Advanced methods for missing data
- •18.1 Steps in dealing with missing data
- •18.2 Identifying missing values
- •18.3 Exploring missing-values patterns
- •18.3.1 Tabulating missing values
- •18.3.2 Exploring missing data visually
- •18.3.3 Using correlations to explore missing values
- •18.4 Understanding the sources and impact of missing data
- •18.5 Rational approaches for dealing with incomplete data
- •18.6 Complete-case analysis (listwise deletion)
- •18.7 Multiple imputation
- •18.8 Other approaches to missing data
- •18.8.1 Pairwise deletion
- •18.8.2 Simple (nonstochastic) imputation
- •18.9 Summary
- •19 Advanced graphics with ggplot2
- •19.1 The four graphics systems in R
- •19.2 An introduction to the ggplot2 package
- •19.3 Specifying the plot type with geoms
- •19.4 Grouping
- •19.5 Faceting
- •19.6 Adding smoothed lines
- •19.7 Modifying the appearance of ggplot2 graphs
- •19.7.1 Axes
- •19.7.2 Legends
- •19.7.3 Scales
- •19.7.4 Themes
- •19.7.5 Multiple graphs per page
- •19.8 Saving graphs
- •19.9 Summary
- •20 Advanced programming
- •20.1 A review of the language
- •20.1.1 Data types
- •20.1.2 Control structures
- •20.1.3 Creating functions
- •20.2 Working with environments
- •20.3 Object-oriented programming
- •20.3.1 Generic functions
- •20.3.2 Limitations of the S3 model
- •20.4 Writing efficient code
- •20.5 Debugging
- •20.5.1 Common sources of errors
- •20.5.2 Debugging tools
- •20.5.3 Session options that support debugging
- •20.6 Going further
- •20.7 Summary
- •21 Creating a package
- •21.1 Nonparametric analysis and the npar package
- •21.1.1 Comparing groups with the npar package
- •21.2 Developing the package
- •21.2.1 Computing the statistics
- •21.2.2 Printing the results
- •21.2.3 Summarizing the results
- •21.2.4 Plotting the results
- •21.2.5 Adding sample data to the package
- •21.3 Creating the package documentation
- •21.4 Building the package
- •21.5 Going further
- •21.6 Summary
- •22 Creating dynamic reports
- •22.1 A template approach to reports
- •22.2 Creating dynamic reports with R and Markdown
- •22.3 Creating dynamic reports with R and LaTeX
- •22.4 Creating dynamic reports with R and Open Document
- •22.5 Creating dynamic reports with R and Microsoft Word
- •22.6 Summary
- •afterword Into the rabbit hole
- •appendix A Graphical user interfaces
- •appendix B Customizing the startup environment
- •appendix C Exporting data from R
- •Delimited text file
- •Excel spreadsheet
- •Statistical applications
- •appendix D Matrix algebra in R
- •appendix E Packages used in this book
- •appendix F Working with large datasets
- •F.1 Efficient programming
- •F.2 Storing data outside of RAM
- •F.3 Analytic packages for out-of-memory data
- •F.4 Comprehensive solutions for working with enormous datasets
- •appendix G Updating an R installation
- •G.1 Automated installation (Windows only)
- •G.2 Manual installation (Windows and Mac OS X)
- •G.3 Updating an R installation (Linux)
- •references
- •index
- •Symbols
- •Numerics
- •23.1 The lattice package
- •23.2 Conditioning variables
- •23.3 Panel functions
- •23.4 Grouping variables
- •23.5 Graphic parameters
- •23.6 Customizing plot strips
- •23.7 Page arrangement
- •23.8 Going further
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> clusplot(fit.pam, main="Bivariate Cluster Plot")
Note that the medoids are actual observations contained in the wine dataset. In this case, they’re observations 36, 107, and 175, and they have been chosen to represent the three clusters. The bivariate plot is created by plotting the coordinates of each observation on the first two principal components (see chapter 14) derived from the 13 assay variables. Each cluster is represented by an ellipse with the smallest area containing all its points.
Also note that PAM didn’t perform as well as k-means in this instance:
> ct.pam <- table(wine$Type, fit.pam$clustering)
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>randIndex(ct.pam) [1] 0.699
The adjusted Rand index has decreased from 0.9 (for k-means) to 0.7.
16.5 Avoiding nonexistent clusters
Before I finish this discussion, a word of caution is in order. Cluster analysis is a methodology designed to identify cohesive subgroups in a dataset. It’s very good at doing this. In fact, it’s so good, it can find clusters where none exist.
Consider the following code:
library(fMultivar)
set.seed(1234)
df <- rnorm2d(1000, rho=.5) df <- as.data.frame(df)
plot(df, main="Bivariate Normal Distribution with rho=0.5")
The rnorm2d() function in the fMultivar package is used to sample 1,000 observations from a bivariate normal distribution with a correlation of 0.5. The resulting graph is displayed in figure 16.7. Clearly there are no clusters in this data.
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Bivariate Normal Distribution with rho=0.5
Figure 16.7 Bivariate normal data (n = 1000). There are no clusters in this data.
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The wssplot() and NbClust() functions are then used to determine the number of clusters present:
wssplot(df)
library(NbClust)
nc <- NbClust(df, min.nc=2, max.nc=15, method="kmeans") dev.new()
barplot(table(nc$Best.n[1,]),
xlab="Number of Clusters", ylab="Number of Criteria", main="Number of Clusters Chosen by 26 Criteria")
The results are plotted in figures 16.8 and 16.9.
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Figure 16.8 Plot of within-groups sums of squares vs. number of k-means clusters for bivariate normal data
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CHAPTER 16 Cluster analysis |
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Figure 16.9 Number of clusters recommended for bivariate normal data by criteria in the NbClust package. Two or three clusters are suggested.
The wssplot() function suggest that there are three clusters, whereas many of the criteria returned by NbClust() suggest between two and three clusters. If you carry out a two-cluster analysis with PAM,
library(ggplot2)
library(cluster) fit <- pam(df, k=2)
df$clustering <- factor(fit$clustering)
ggplot(data=df, aes(x=V1, y=V2, color=clustering, shape=clustering)) + geom_point() + ggtitle("Clustering of Bivariate Normal Data")
you get the two-cluster plot shown in figure 16.10. (The ggplot() statement is part of the comprehensive graphics package ggplot2. Chapter 19 covers ggplot2 in detail.)
Clustering of Bivariate Normal Data
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Figure 16.10 PAM cluster analysis of bivariate normal data, extracting two clusters. Note that the clusters are an arbitrary division of the data.
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Figure 16.11 CCC plot for bivariate normal data. It correctly suggests that no clusters are present.
Clearly the partitioning is artificial. There are no real clusters here. How can you avoid this mistake? Although it isn’t foolproof, I have found that the Cubic Cluster Criteria (CCC) reported by NbClust can often help to uncover situations where no structure exists. The code is
plot(nc$All.index[,4], type="o", ylab="CCC", xlab="Number of clusters", col="blue")
and the resulting graph is displayed in figure 16.11. When the CCC values are all negative and decreasing for two or more clusters, the distribution is typically unimodal.
The ability of cluster analysis (or your interpretation of it) to find erroneous clusters makes the validation step of cluster analysis important. If you’re trying to identify clusters that are “real” in some sense (rather than a convenient partitioning), be sure the results are robust and repeatable. Try different clustering methods, and replicate the findings with new samples. If the same clusters are consistently recovered, you can be more confident in the results.
16.6 Summary
In this chapter, we reviewed some of the most common approaches to clustering observations into cohesive groups. First we reviewed the general steps for a comprehensive cluster analysis. Next, common methods for hierarchical and partitioning clustering were described. Finally, I reinforced the need to validate the resulting clusters in situations where you seek more than convenient partitioning.
Cluster analysis is a broad topic, and R has some of the most comprehensive facilities for applying this methodology currently available. To learn more about these capabilities, see the CRAN Task View for Cluster Analysis & Finite Mixture Models (http://cran.r-project.org/web/views/Cluster.html). Additionally, Tan, Steinbach, & Kumar (2006) have an excellent book on data-mining techniques. It contains a lucid
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CHAPTER 16 Cluster analysis |
chapter on cluster analysis that you can freely downloaded (www-users.cs.umn.edu/ ~kumar/dmbook/ch8.pdf). Finally, Everitt, Landau, Leese, & Stahl (2011) have written a practical and highly regarded textbook on this subject.
Cluster analysis is a methodology for discovering cohesive subgroups of observations in a dataset. In the next chapter, we’ll consider situations where the groups have already been defined and your goal is to find an accurate method of classifying observations into them.