Trees, Bagging, Random Forests and Boosting

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Boosting
Trevor Hastie, Stanford University
Trees, Bagging, Random Forests and Boosting
• Classification Trees
• Bagging: Averaging Trees
• Random Forests: Cleverer Averaging of Trees
• Boosting: Cleverest Averaging of Trees
Methods for improving the performance of weak learners such as
Trees. Classification trees are adaptive and robust, but do not
generalize well. The techniques discussed here enhance their
performance considerably.
1
Boosting
Trevor Hastie, Stanford University
Two-class Classification
• Observations are classified into two or more classes, coded by a
response variable Y taking values 1, 2, . . . , K.
• We have a feature vector X = (X1 , X2 , . . . , Xp ), and we hope
to build a classification rule C(X) to assign a class label to an
individual with feature X.
• We have a sample of pairs (yi , xi ), i = 1, . . . , N . Note that
each of the xi are vectors xi = (xi1 , xi2 , . . . , xip ).
• Example: Y indicates whether an email is spam or not. X
represents the relative frequency of a subset of specially chosen
words in the email message.
• The technology described here estimates C(X) directly, or via
the probability function P (C = k|X).
2
Boosting
Trevor Hastie, Stanford University
Classification Trees
• Represented by a series of binary splits.
• Each internal node represents a value query on one of the
variables — e.g. “Is X3 > 0.4”. If the answer is “Yes”, go right,
else go left.
• The terminal nodes are the decision nodes. Typically each
terminal node is dominated by one of the classes.
• The tree is grown using training data, by recursive splitting.
• The tree is often pruned to an optimal size, evaluated by
cross-validation.
• New observations are classified by passing their X down to a
terminal node of the tree, and then using majority vote.
3
Boosting
Trevor Hastie, Stanford University
Classification Tree
0
10/30
x.2<0.39
x.2>0.39
0
1
3/21
2/9
x.3<-1.575
x.3>-1.575
1
0
2/5
0/16
4
Boosting
Trevor Hastie, Stanford University
Properties of Trees
✔ Can handle huge datasets
✔ Can handle mixed predictors—quantitative and qualitative
✔ Easily ignore redundant variables
✔ Handle missing data elegantly
✔ Small trees are easy to interpret
✖ large trees are hard to interpret
✖ Often prediction performance is poor
5
Boosting
Trevor Hastie, Stanford University
Example: Predicting e-mail spam
• data from 4601 email messages
• goal: predict whether an email message is spam (junk email) or
good.
• input features: relative frequencies in a message of 57 of the
most commonly occurring words and punctuation marks in all
the training the email messages.
• for this problem not all errors are equal; we want to avoid
filtering out good email, while letting spam get through is not
desirable but less serious in its consequences.
• we coded spam as 1 and email as 0.
• A system like this would be trained for each user separately
(e.g. their word lists would be different)
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Boosting
Trevor Hastie, Stanford University
Predictors
• 48 quantitative predictors—the percentage of words in the
email that match a given word. Examples include business,
address, internet, free, and george. The idea was that these
could be customized for individual users.
• 6 quantitative predictors—the percentage of characters in the
email that match a given character. The characters are ch;,
ch(, ch[, ch!, ch$, and ch#.
• The average length of uninterrupted sequences of capital
letters: CAPAVE.
• The length of the longest uninterrupted sequence of capital
letters: CAPMAX.
• The sum of the length of uninterrupted sequences of capital
letters: CAPTOT.
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Boosting
Trevor Hastie, Stanford University
Details
• A test set of size 1536 was randomly chosen, leaving 3065
observations in the training set.
• A full tree was grown on the training set, with splitting
continuing until a minimum bucket size of 5 was reached.
• This bushy tree was pruned back using cost-complexity
pruning, and the tree size was chosen by 10-fold
cross-validation.
• We then compute the test error and ROC curve on the test
data.
8
Boosting
Trevor Hastie, Stanford University
Some important features
39% of the training data were spam.
Average percentage of words or characters in an email message
equal to the indicated word or character. We have chosen the
words and characters showing the largest difference between spam
and email.
george
you
your
hp
free
hpl
spam
0.00
2.26
1.38
0.02
0.52
0.01
email
1.27
1.27
0.44
0.90
0.07
0.43
!
our
re
edu
remove
spam
0.51
0.51
0.13
0.01
0.28
email
0.11
0.18
0.42
0.29
0.01
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Boosting
Trevor Hastie, Stanford University
10
email
600/1536
ch$<0.0555
ch$>0.0555
email
spam
280/1177
48/359
remove<0.06
remove>0.06
email
180/1065
hp<0.405
hp>0.405
spam
spam email
9/112
26/337
0/22
ch!<0.191
george<0.15CAPAVE<2.907
ch!>0.191
george>0.15CAPAVE>2.907
email
email spam email spam spam
80/861
100/204
6/109
0/3
19/110
7/227
george<0.005 CAPAVE<2.7505 1999<0.58
george>0.005 CAPAVE>2.7505 1999>0.58
email email
email spam
spam email
80/652
36/123
18/109
0/209
16/81
hp<0.03
hp>0.03
free<0.065
free>0.065
email email
email spam
77/423
3/229
16/94
9/29
CAPMAX<10.5 business<0.145
CAPMAX>10.5
business>0.145
email
email email spam
20/238
57/185
14/89
receive<0.125edu<0.045
receive>0.125edu>0.045
email spam email email
19/236
1/2
48/113
9/72
our<1.2
our>1.2
email spam
37/101
1/12
3/5
0/1
Boosting
Trevor Hastie, Stanford University
ROC curve for pruned tree on SPAM data
0.8
1.0
SPAM Data
TREE − Error: 8.7%
0.0
0.2
0.4
Sensitivity
0.6
o
0.0
0.2
0.4
0.6
Specificity
0.8
1.0
Overall error rate on test data:
8.7%.
ROC curve obtained by varying the threshold c0 of the classifier:
C(X) = +1 if P̂ (+1|X) > c0 .
Sensitivity: proportion of true
spam identified
Specificity: proportion of true
email identified.
We may want specificity to be high, and suffer some spam:
Specificity : 95% =⇒ Sensitivity : 79%
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Boosting
Trevor Hastie, Stanford University
1.0
ROC curve for TREE vs SVM on SPAM data
0.8
TREE vs SVM
o
o
SVM − Error: 6.7%
TREE − Error: 8.7%
0.0
0.2
0.4
Sensitivity
0.6
Comparing ROC curves on
the test data is a good
way to compare classifiers.
SVM dominates
TREE here.
0.0
0.2
0.4
0.6
Specificity
0.8
1.0
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Boosting
Trevor Hastie, Stanford University
Toy Classification Problem
Bayes Error Rate: 0.25
6
1
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• Here X = (X1 , X2 )
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00000000000010
11 1
10 10110110110110001
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1 1
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1 11 111 111
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011111 10
1 00011 1 110111 1
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1
• Data X and Y , with Y
taking values +1 or −1.
1
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-2
0
X1
2
4
1
1
1
6
• The black boundary
is the Bayes Decision
Boundary - the best
one can do.
• Goal: Given N training
pairs
(Xi , Yi )
produce a classifier
Ĉ(X) ∈ {−1, 1}
• Also estimate the probability of the class labels P (Y = +1|X).
13
Boosting
Trevor Hastie, Stanford University
Toy Example - No Noise
Bayes Error Rate: 0
3
1
1
11 1 1 1
1
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1 1
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1 11 1
1 1
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111 1 11 1 1
1 1
1111
1
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1 11 11 111 11 11 1 1
1 11
1 111 1 0 00 1 1 1 1
1
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1 1 11 11111 11 00000 0 0
11 1
00 1 01
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0 1 11 1
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1 1 1 1111 00000 00 000000000
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1 11 00 0 00 00000 00000
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1 111 1 111000000000000 0 00 0
000 000 1111 11 11
1
1 1 0 0 00000000000 0000
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1
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11
1 100 0 00 0 00000000
11
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00 00 0 01 1111 1
1
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1 11 11 11 1 0000000000000000
0
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11 1 111 0 0
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000
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1
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0
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1101001
0
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11 1 1
0 100
1
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1
1
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1
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11
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1 1 11 1111 11 1
1
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1 11 11 1 1 111 11
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1
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1 1
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1
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0
-1
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X2
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-1
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X1
1
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3
• Deterministic problem;
noise comes from sampling distribution of X.
• Use a training sample
of size 200.
• Here Bayes Error is
0%.
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Boosting
Trevor Hastie, Stanford University
Classification Tree
1
94/200
x.2<-1.06711
x.2>-1.06711
0
1
72/166
x.2<1.14988
x.2>1.14988
0/34
0
1
40/134
x.1<1.13632
x.1>1.13632
0
1
23/117
0/17
0/32
x.1<-0.900735
x.1>-0.900735
1
0
5/26
x.1<-1.1668
x.1>-1.1668
1
1
0/12
2/91
x.2<-0.823968
x.2>-0.823968
5/14
x.1<-1.07831
x.1>-1.07831
1
1
1/5
4/9
0
0
2/8
0/83
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Boosting
Trevor Hastie, Stanford University
Decision Boundary: Tree
2
3
Error Rate: 0.073
1
1
0
1
1
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-1
1
-2
1
1
1 1
1
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1
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1 1
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00 01 1
11 1 1
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1 1
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1 0 000
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0 00 0 000
1 1
1 11
1
11 0 0 00 0 0 0 0 0000 1
0 0 00
0 00 0 00
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00
0 00 0000 0000 0 0 0
1
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000 000 0 1
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1 1
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0 0
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1 0000 000 000 0 0 11 1
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1 1
1 1 0 01
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-3
X2
1
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-3
-2
-1
0
X1
1
2
3
When the nested spheres
are in 10-dimensions, Classification Trees produces a
rather noisy and inaccurate
rule Ĉ(X), with error rates
around 30%.
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Boosting
Trevor Hastie, Stanford University
Model Averaging
Classification trees can be simple, but often produce noisy (bushy)
or weak (stunted) classifiers.
• Bagging (Breiman, 1996): Fit many large trees to
bootstrap-resampled versions of the training data, and classify
by majority vote.
• Boosting (Freund & Shapire, 1996): Fit many large or small
trees to reweighted versions of the training data. Classify by
weighted majority vote.
• Random Forests (Breiman 1999): Fancier version of bagging.
In general Boosting Random Forests Bagging Single Tree.
17
Boosting
Trevor Hastie, Stanford University
Bagging
Bagging or bootstrap aggregation averages a given procedure over
many samples, to reduce its variance — a poor man’s Bayes. See
pp 246.
Suppose C(S, x) is a classifier, such as a tree, based on our training
data S, producing a predicted class label at input point x.
To bag C, we draw bootstrap samples S ∗1 , . . . S ∗B each of size N
with replacement from the training data. Then
Ĉbag (x) = Majority Vote {C(S ∗b , x)}B
b=1 .
Bagging can dramatically reduce the variance of unstable
procedures (like trees), leading to improved prediction. However
any simple structure in C (e.g a tree) is lost.
18
Boosting
Trevor Hastie, Stanford University
Original Tree
Bootstrap Tree 1
0
0
10/30
7/30
x.2<0.39
x.2<0.36
x.2>0.39
x.2>0.36
0
1
0
1
3/21
2/9
1/23
1/7
x.3<-1.575
x.1<-0.965
x.3>-1.575
x.1>-0.965
1
0
0
0
2/5
0/16
1/5
0/18
Bootstrap Tree 2
Bootstrap Tree 3
0
0
11/30
4/30
x.2<0.39
x.4<0.395
x.2>0.39
x.4>0.395
0
1
0
0
3/22
0/8
2/25
2/5
x.3<-1.575
x.3<-1.575
x.3>-1.575
x.3>-1.575
1
0
0
0
2/5
0/17
2/5
0/20
Bootstrap Tree 4
Bootstrap Tree 5
0
0
13/30
12/30
x.2<0.255
x.2<0.38
x.2>0.255
x.2>0.38
0
1
0
1
2/16
3/14
4/20
2/10
x.3<-1.385
x.3<-1.61
x.3>-1.385
x.3>-1.61
0
0
1
0
2/5
0/11
2/6
0/14
19
Boosting
Trevor Hastie, Stanford University
Decision Boundary: Bagging
2
3
Error Rate: 0.032
1
1
0
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-2
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0 00 0 000
1 1
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11 0 0 00 0 0 0 0 0000 1
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0 00 0 00
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00
0 00 0000 0000 0 0 0
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000 000 0 1
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1 1
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0 0
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1 0000 000 000 0 0 11 1
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1 1
1 1 0 01
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Bagging averages many
trees,
and
produces
smoother decision boundaries.
20
Boosting
Trevor Hastie, Stanford University
Random forests
• refinement of bagged trees; quite popular
• at each tree split, a random sample of m features is drawn, and
only those m features are considered for splitting. Typically
√
m = p or log2 p, where p is the number of features
• For each tree grown on a bootstrap sample, the error rate for
observations left out of the bootstrap sample is monitored.
This is called the “out-of-bag” error rate.
• random forests tries to improve on bagging by “de-correlating”
the trees. Each tree has the same expectation.
21
Boosting
Trevor Hastie, Stanford University
22
1.0
ROC curve for TREE, SVM and Random Forest on SPAM data
0.8
TREE, SVM and RF
Random Forest − Error: 5.0%
SVM − Error: 6.7%
TREE − Error: 8.7%
Random Forest dominates
both other methods on the
SPAM data — 5.0% error.
Used 500 trees with default
settings for random Forest
package in R.
0.0
0.2
0.4
Sensitivity
0.6
o
o
o
0.0
0.2
0.4
0.6
Specificity
0.8
1.0
Boosting
Trevor Hastie, Stanford University
Weighted Sample
CM (x)
Boosting
• Average many trees, each
grown to re-weighted versions
of the training data.
Weighted Sample
C3 (x)
Weighted Sample
C2 (x)
Training Sample
C1 (x)
• Final Classifier is weighted average of classifiers:
M
C(x) = sign
m=1 αm Cm (x)
23
Boosting
Trevor Hastie, Stanford University
24
100 Node Trees
Boosting vs Bagging
0.4
Bagging
AdaBoost
• Bayes error rate is 0%.
0.2
• Trees are grown best
first without pruning.
0.1
• Leftmost term is a single tree.
0.0
Test Error
0.3
• 2000
points
from
Nested Spheres in R10
0
100
200
Number of Terms
300
400
Boosting
Trevor Hastie, Stanford University
AdaBoost (Freund & Schapire, 1996)
1. Initialize the observation weights wi = 1/N, i = 1, 2, . . . , N .
2. For m = 1 to M repeat steps (a)–(d):
(a) Fit a classifier Cm (x) to the training data using weights wi .
(b) Compute weighted error of newest tree
N
i=1 wi I(yi = Cm (xi ))
.
errm =
N
i=1 wi
(c) Compute αm = log[(1 − errm )/errm ].
(d) Update weights for i = 1, . . . , N :
wi ← wi · exp[αm · I(yi = Cm (xi ))]
and renormalize to wi to sum to 1.
M
3. Output C(x) = sign
m=1 αm Cm (x) .
25
Trevor Hastie, Stanford University
26
0.5
Boosting
Single Stump
0.3
A stump is a two-node
tree, after a single split.
Boosting stumps works
remarkably well on the
nested-spheres problem.
0.1
0.2
400 Node Tree
0.0
Test Error
0.4
Boosting Stumps
0
100
200
Boosting Iterations
300
400
Boosting
Trevor Hastie, Stanford University
0.4
• Nested spheres in 10Dimensions.
0.3
0.5
Training Error
• Bayes error is 0%.
0.2
• Boosting drives the
training error to zero.
0.1
• Further iterations continue to improve test
error in many examples.
0.0
Train and Test Error
27
0
100
200
300
Number of Terms
400
500
600
Trevor Hastie, Stanford University
0.5
Boosting
0.4
Noisy Problems
0.3
• Nested Gaussians in
10-Dimensions.
• Bayes error is 25%.
Bayes Error
0.2
• Boosting with stumps
0.1
• Here the test error
does increase, but quite
slowly.
0.0
Train and Test Error
28
0
100
200
300
Number of Terms
400
500
600
Boosting
Trevor Hastie, Stanford University
Stagewise Additive Modeling
Boosting builds an additive model
f (x) =
M
βm b(x; γm ).
m=1
Here b(x, γm ) is a tree, and γm parametrizes the splits.
We do things like that in statistics all the time!
• GAMs: f (x) = j fj (xj )
M
• Basis expansions: f (x) = m=1 θm hm (x)
Traditionally the parameters fm , θm are fit jointly (i.e. least
squares, maximum likelihood).
With boosting, the parameters (βm , γm ) are fit in a stagewise
fashion. This slows the process down, and overfits less quickly.
29
Boosting
Trevor Hastie, Stanford University
Additive Trees
• Simple example: stagewise least-squares?
• Fix the past M − 1 functions, and update the M th using a tree:
min
fM ∈T ree(x)
E(Y −
M
−1
fm (x) − fM (x))2
m=1
• If we define the current residuals to be
R=Y −
M
−1
fm (x)
m=1
then at each stage we fit a tree to the residuals
min
fM ∈T ree(x)
E(R − fM (x))2
30
Boosting
Trevor Hastie, Stanford University
31
Stagewise Least Squares
Suppose we have available a basis family b(x; γ) parametrized by γ.
• After m − 1 steps, suppose we have the model
m−1
fm−1 (x) = j=1 βj b(x; γj ).
• At the mth step we solve
min
β,γ
N
2
(yi − fm−1 (xi ) − βb(xi ; γ))
i=1
• Denoting the residuals at the mth stage by
rim = yi − fm−1 (xi ), the previous step amounts to
min(rim − βb(xi ; γ))2 ,
β,γ
• Thus the term βm b(x; γm ) that best fits the current residuals is
added to the expansion at each step.
Boosting
Trevor Hastie, Stanford University
Adaboost: Stagewise Modeling
• AdaBoost builds an additive logistic regression model
M
Pr(Y = 1|x)
αm Gm (x)
f (x) = log
=
Pr(Y = −1|x) m=1
by stagewise fitting using the loss function
L(y, f (x)) = exp(−y f (x)).
• Given the current fM −1 (x), our solution for (βm , Gm ) is
arg min
β,G
N
exp[−yi (fm−1 (xi ) + β G(x))]
i=1
where Gm (x) ∈ {−1, 1} is a tree classifier and βm is a
coefficient.
32
Boosting
Trevor Hastie, Stanford University
(m)
• With wi
= exp(−yi fm−1 (xi )), this can be re-expressed as
arg min
β,G
N
(m)
wi
exp(−β yi G(xi ))
i=1
• We can show that this leads to the Adaboost algorithm; See
pp 305.
33
Boosting
Trevor Hastie, Stanford University
Why Exponential Loss?
3.0
• e−yF (x) is a monotone,
smooth upper bound on
misclassification loss at x.
• Leads to simple reweighting
scheme.
1.0
1.5
• Has logit transform as population minimizer
0.5
f ∗ (x) =
0.0
Loss
2.0
2.5
Misclassification
Exponential
Binomial Deviance
Squared Error
Support Vector
-2
-1
0
y·f
1
2
1
Pr(Y = 1|x)
log
2
Pr(Y = −1|x)
• Other more robust loss functions, like binomial deviance.
34
Boosting
Trevor Hastie, Stanford University
General Stagewise Algorithm
We can do the same for more general loss functions, not only least
squares.
1. Initialize f0 (x) = 0.
2. For m = 1 to M :
(a) Compute
N
(βm , γm ) = arg minβ,γ i=1 L(yi , fm−1 (xi ) + βb(xi ; γ)).
(b) Set fm (x) = fm−1 (x) + βm b(x; γm ).
Sometimes we replace step (b) in item 2 by
(b∗ ) Set fm (x) = fm−1 (x) + νβm b(x; γm )
Here ν is a shrinkage factor, and often ν < 0.1. Shrinkage slows the
stagewise model-building even more, and typically leads to better
performance.
35
Boosting
Trevor Hastie, Stanford University
36
Gradient Boosting
• General boosting algorithm that works with a variety of
different loss functions. Models include regression, resistant
regression, K-class classification and risk modeling.
• Gradient Boosting builds additive tree models, for example, for
representing the logits in logistic regression.
• Tree size is a parameter that determines the order of
interaction (next slide).
• Gradient Boosting inherits all the good features of trees
(variable selection, missing data, mixed predictors), and
improves on the weak features, such as prediction performance.
• Gradient Boosting is described in detail in
, section 10.10.
Boosting
Trevor Hastie, Stanford University
Tree Size
0.4
Stumps
10 Node
100 Node
Adaboost
0.2
0.3
The tree size J determines
the interaction order of the
model:
η(X) =
ηj (Xj )
0.1
j
+
ηjk (Xj , Xk )
jk
0.0
Test Error
37
+
0
100
200
Number of Terms
300
400
jkl
+···
ηjkl (Xj , Xk , Xl )
Boosting
Trevor Hastie, Stanford University
38
Stumps win!
Since the true decision boundary is the surface of a sphere, the
function that describes it has the form
f (X) = X12 + X22 + . . . + Xp2 − c = 0.
Boosted stumps via Gradient Boosting returns reasonable
approximations to these quadratic functions.
Coordinate Functions for Additive Logistic Trees
f1 (x1 )
f2 (x2 )
f3 (x3 )
f4 (x4 )
f5 (x5 )
f6 (x6 )
f7 (x7 )
f8 (x8 )
f9 (x9 )
f10 (x10 )
Boosting
Trevor Hastie, Stanford University
Spam Example Results
With 3000 training and 1500 test observations, Gradient Boosting
fits an additive logistic model
f (x) = log
Pr(spam|x)
Pr(email|x)
using trees with J = 6 terminal-node trees.
Gradient Boosting achieves a test error of 4%, compared to 5.3% for
an additive GAM, 5.0% for Random Forests, and 8.7% for CART.
39
Boosting
Trevor Hastie, Stanford University
Spam: Variable Importance
3d
addresses
labs
telnet
857
415
direct
cs
table
85
#
parts
credit
[
lab
conference
report
original
data
project
font
make
address
order
all
hpl
technology
people
pm
mail
over
650
;
meeting
email
000
internet
receive
(
re
business
1999
will
money
our
you
edu
CAPTOT
george
CAPMAX
your
CAPAVE
free
remove
hp
$
!
0
20
40
60
Relative importance
80
100
40
-1.0
-1.0
-0.2 0.0 0.2
0.0
0.2
0.2
0.4
0.6
0.4
0.6
edu
0.8
0.8
1.0
-0.2 0.0 0.2
0.0
-0.6
Partial Dependence
-0.6
Partial Dependence
-0.2 0.0 0.2 0.4 0.6 0.8 1.0
Partial Dependence
-0.2 0.0 0.2 0.4 0.6 0.8 1.0
Partial Dependence
Boosting
Trevor Hastie, Stanford University
1.0
0.0
0.0
0.2
!
0.5
1.0
41
Spam: Partial Dependence
0.4
1.5
hp
0.6
remove
2.0
2.5
3.0
Boosting
Trevor Hastie, Stanford University
42
Comparison of Learning Methods
Some characteristics of different learning methods.
Key: ●= good, ●=fair, and ●=poor.
Characteristic
Neural
Nets
SVM
CART
GAM
KNN,
Kernel
Gradient
Boost
Natural handling of data
of “mixed” type
●
●
●
●
●
●
Handling of missing values
●
●
●
●
●
●
Robustness to outliers in
input space
●
●
●
●
●
●
Insensitive to monotone
transformations of inputs
●
●
●
●
●
●
Computational scalability (large N )
●
●
●
●
●
●
Ability to deal with irrelevant inputs
●
●
●
●
●
●
Ability to extract linear
combinations of features
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
Interpretability
Predictive power
Boosting
Trevor Hastie, Stanford University
Software
• R: free GPL statistical computing environment available from
CRAN, implements the S language. Includes:
– randomForest: implementation of Leo Breimans algorithms.
– rpart: Terry Therneau’s implementation of classification
and regression trees.
– gbm: Greg Ridgeway’s implementation of Friedman’s
gradient boosting algorithm.
• Salford Systems: Commercial implementation of trees, random
forests and gradient boosting.
• Splus (Insightful): Commerical version of S.
• Weka: GPL software from University of Waikato, New Zealand.
Includes Trees, Random Forests and many other procedures.
43
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