An Enhanced Projection Pursuit Tree Classifier with Visual Methods for Assessing Algorithmic Improvements
Authors: Natalia da Silva, Dianne Cook, Eun-Kyung Lee
Organizations: Instituto de Estadística (IESTA), Universidad de la República, Montevideo, Uruguay · Department of Econometrics and Business Statistics, Monash University, Melbourne, Australia · Department of Statistics, Ewha Womans University, Seoul, Republic of Korea
This paper presents enhancements to the projection pursuit tree classifier and visual diagnostic methods for assessing their impact in high dimensions. The original algorithm uses linear combinations of variables in a tree structure where depth is constrained to be less than the number of classes -- a limitation that proves too rigid for complex classification problems. Our extensions improve performance in multi-class settings with unequal variance-covariance structures and nonlinear class separations by allowing more splits and more flexible class groupings in the projection pursuit computation. Proposing algorithmic improvements is straightforward; demonstrating their actual utility is not. We therefore develop two visual diagnostic approaches to verify that the enhancements perform as intended. Using high-dimensional visualization techniques, we examine model fits on benchmark datasets to assess whether the algorithm behaves as theorized. An interactive web application enables users to explore the behavior of both the original and enhanced classifiers under controlled scenarios. The enhancements are implemented in the R package PPtreeExt.
Figures & tables
Figure 1: Illustration of the original PPtree algorithm for G=3 . In step 1, PP optimization decides on the best linear projection. Step 2 combines two groups to make a two-group classification. The PP optimization is computed for two group problem, and an appropriate split is decided. This is repeated for the remaining two groups to get the final model containing two splits. The locations where modifications will be made are circled.
Table 1: Rules for computing the split value, c , between two groups, on a data projection, using means, weighted mean, medians, standard deviations, and interquartile ranges.
Figure 2: Comparison of decision boundaries produced by the rpart (left) and PPtree (right) algorithms on the LC data. The boundaries generated by PPtree are oblique to the coordinate axes, appropriately capturing the separations as linear combinations of the two variables. Even with many splits, the rpart algorithm cannot elegantly classify this data.
Figure 3: Comparison of decision boundaries produced by the rpart (left) and PPtree (right) algorithms on the MC data. The T class (orange triangles) cannot be separated using a single linear partition, and PPtree fails to model it accurately because each class must be assigned to a single terminal node. This illustrates the need for allowing more splits in PPtree to capture unusually shaped clusters and separations involving combinations of variables.
Figure 4: Illustration of the algorithm with modification 2 applied to a three-class problem. Projections of the data are computed at each node, and multiple splits per class are allowed. An impurity-based criterion, such as entropy, is used to determine when and how often to split observations within a node.
Figure 5: Comparing the fits for three-class data with a strong correlation between variables. Modification 1 (different subsetting rules) of PPtree is shown. The modification produces lower error and decision boundaries that are more symmetrically placed between the class clusters.
Figure 6: Comparing the fits for data where one class has two distinct clusters. Modification 2 (multiple splits) of PPtree is used. The modification produces lower error and better decision boundaries.
Figure 7: Comparing the fits for five-cluster Gaussian mixtures. Modification 2 of PPtree is used. This produces lower error and reasonable decision boundaries.
Figure 8: Average test error with 95% error bars from 200 training/test splits of benchmark data for four models: rpart , PPtree, PPtreeExt modifications 1 and 2, where the latter performs better than the others. The order of the plots is based on the pattern of errors: at top left PPtreeExt (mod 2) is best but only slightly better than rpart , and at bottom right each of the PPtree versions iteratively performs better than rpart .
dataset
Cases
Predictors
Groups
Imbalance
Correlation
data20-3
8143
5
2
0.58
0.45
data27-a11
1747
18
5
0.38
0.24
data27-a31
1834
18
5
0.28
0.27
data27-b31
1424
18
5
0.21
0.24
data27-c11
1111
18
5
0.14
0.27
data27-c31
1448
18
5
0.17
0.27
Table 2: Overview of benchmark datasets where the proposed tree-based extensions outperform the selected tree methods. The table summarizes the number of observations, predictors, number of classes, class imbalance, and absolute average correlation among predictors. Imbalance quantifies the disparity in class sizes (0 indicates perfectly balanced classes), while higher correlation suggests a greater potential for class separation through linear combinations of variables.
Figure 9: Two projections from a grand tour of data20-3, from which we can see why the PPtreeExt method is the most effective. Class 0 is split into two clusters on either side of group 1, which means that the original algorithm is not optimal. Secondly, the separation between the two groups is primarily V3 with small contributions from other variables, which gives PPtreeExt a slight edge over rpart .
Figure 10: Examining why data49-2 is best classified using PPtreeExt . Because there are 100 predictors, for visualisation it is useful to reduce the dimension using principal component analysis, and then examine the separation between groups. PC1 explains 99.8% of the overall variability among predictors, but it is not useful for separating the classes (a). PC2 and PC3 (b) have an interesting difference between the two classes, which shows why multiple linear splits might be useful. A guided projection pursuit tour on the first 26 principal components (c) shows that these classes could be separated with a linear combination. This is why the original PPtree classifier does better than the tree algorithm and also why the extension improves the performance.
Figure 11: Examining why data69-1 is best classified using PPtreeExt : (a) best projection from a guided tour shows that the data has three similar linear pieces oriented to form a triangle, (b) boundary produced by the PPtreeExt (mod 2) fitted model, and (c) boundary produced by rpart fitted model. The same projection is used in all plots to allow comparison. The boundary is examined by predicting the class of a uniform random sample of points in the data space, and viewed using a slice tour. The boundary for PPtreeExt (mod 2) mirrors what we learn from the data, that it is carving the data space into three equiangular chunks, but rpart is not capturing these linear combinations.
Figure 12: Average test error from 200 training/test splits of benchmark data for: SVM, Random Forest, PPtree (pda), PPtree (LDA), PPtreeExt modifications 1 and 2, PPforest and rpart .
Figure 13: Average test error from 200 training/test splits of benchmark data for: SVM, Random Forest, PPtree (pda), PPtree (LDA), PPtreeExt modifications 1 and 2, PPforest and rpart .
Figure 14: Average test error from 200 training/test splits of benchmark data for: SVM, Random Forest, PPtree (pda), PPtree (LDA), PPtreeExt modifications 1 and 2, PPforest and rpart .
Figure 15: Average test error from 200 training/test splits of benchmark data for: SVM, Random Forest, PPtree (pda), PPtree (LDA), PPtreeExt modifications 1 and 2, PPforest and rpart .