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CO S 2010COMPSTAT2010 in Paris

Ensembled Multivariate Adaptive Regression SplinesEnsembled Multivariate Adaptive Regression Splines ith N ti G t E ti twith Nonnegative Garrote Estimator

Hiroki MotogaitogOsaka UniversityOsaka University

M hi G tMasashi GotoBiostatistical Research Association NPOBiostatistical Research Association, NPO.

JAPANJAPAN

AgendaAgendag

• Introduction and motivation• Introduction and motivationTree methods• Tree methods M lti i t Ad ti R iMultivariate Adaptive RegressionMultivariate Adaptive Regression

Splines(MARS)Splines(MARS)p ( )Bagging MARSBagging MARSgg g

O th d d• Our method proposedOur method proposedEnsembled MARS with nonnegative garroteEnsembled MARS with nonnegative garrote

• Example and simulation• Example and simulation• Concluding remarks• Concluding remarksg

22

AgendaAgendag

• Introduction and motivation• Introduction and motivationTree methods• Tree methods M lti i t Ad ti R iMultivariate Adaptive RegressionMultivariate Adaptive Regression

Splines(MARS)Splines(MARS)p ( )Bagging MARSBagging MARSgg g

O th d d• Our method proposedOur method proposedEnsembled MARS with nonnegative garroteEnsembled MARS with nonnegative garrote

• Example and simulation• Example and simulation• Concluding remarks• Concluding remarksg

33

Introduction and motivationIntroduction and motivation

Unstable Less interpretableUnstable Less interpretable

)(f )(xf

ˆ)(ˆ xf )(ˆ xfSt bili i)(ˆ xf)(xf )(xfStabilizing

BaggingMARS gg g(Breiman,1996)(Friedman,1991) (Breiman,1996)(Friedman,1991)

M ti tiMotivation

i MARS th t h b th t bilit d i t t bilita new version MARS that has both stability and interpretability

44

AgendaAgendag

• Introduction and motivation• Introduction and motivationTree methods• Tree methodsM lti i t Ad ti R iMultivariate Adaptive RegressionMultivariate Adaptive Regression

Splines(MARS)Splines(MARS)p ( )Bagging MARSBagging MARSgg g

O th d d• Our method proposedOur method proposedEnsembled MARS with nonnegative garroteEnsembled MARS with nonnegative garrote

• Example and simulation• Example and simulation• Concluding remarks• Concluding remarksg

55

M lti i t Ad ti R i S li (F i d 1991)Multivariate Adaptive Regression Splines(Friedman,1991)

• Model form• Model formRegression model Basis function

M KRegression model Basis function

M

Bf )(ˆˆˆ mK

qiB )]([)( mmBf 0MARS )(x qmkmkpmkm txiB ),(),(),( )]([)(x

m 1

k

mkmkpmkm1

),(),(),(

• Algorithms• AlgorithmsForward stepwise

0.5

Forward stepwise 0.45

Increase basis functions0.4

Increase basis functions 0 3

0.35

Backward stepwise 0 25

0.3

数の値Backward stepwise

P ff 0 2

0.25

基底関

Prune off 0.15

0.2基

Select the best tree 0.1

0.15

)]5.0([ px )]5.0([ px Select the best tree0.05

)]([ p)]([ p

0 0 2 0 4 0 6 0 8 10

0 2 0 4 0 5 0 6 0 8 1 x0 0.2 0.4 0.6 0.8 1

px0.2 0.4 0.5 0.6 0.8 1 px

1 d k t t 0 5q=1 and knot t=0.5

66

Bagging (Breiman 1996)Bagging (Breiman,1996)gg g ( , )

• Model form(Bagging MARS)• Model form(Bagging MARS)Regression model Each treeRegression model

1Each tree

)(ˆ1ˆ E ff MARS d l)(f)(1MARS Bagging x

e efE

f : MARS model)(xef1gg g eE

• Algorithms• AlgorithmsSamplep

Bootstrap sample Bootstrap sample Bootstrap sampleBootstrap sample Bootstrap sample

+ +・・・+ +・・・+

)(ˆ xf )(f )(f )(f)(1 xf )(2 xf )( xef )( xEf

ˆ7

averaging )(xf7

AgendaAgendag

• Introduction and motivation• Introduction and motivationPre io s research• Previous research M lti i t Ad ti R iMultivariate Adaptive RegressionMultivariate Adaptive Regression

Splines(MARS)Splines(MARS)p ( )Bagging MARSBagging MARSgg g

O th d d• Our method proposedOur method proposedEnsembled MARS with nonnegative garroteEnsembled MARS with nonnegative garrote

• Example and simulation• Example and simulation• Concluding remarks• Concluding remarksg

88

Proposed methodProposed methodp

Motivation

a new version MARS that has both stability and interpretabilitya new version MARS that has both stability and interpretability

Stable, but less interpretable Stable and interpretable

233

1Selection 14

1

&RankingRanking

45Typical tree

45Typical tree

nonnegativeBagging Proposed methodnonnegativetBagging Proposed methodgarrote

(B i 1995)(Breiman,1995)

99

Ensembled MARS ith non negati e garrote(1/2)Ensembled MARS with non-negative garrote(1/2)g g

• Model form• Model formRegression model Each treeg

E )(ˆˆˆ x E fcf : MARS model :non-negative garrote estimator)(ˆ xf c)(1

x

e ee fcf : MARS model , :non negative garrote estimator )(xef ec

• Algorithms• Algorithms

Generate Bagging trees Generate Bagging trees. Att h h t d ti t i tiˆ Attach on each tree and estimate using nonnegative ec ec

garrote(Breiman,1995). e e

g ( , )Select candidate trees(If the tree is removed)0ˆ c― Select candidate trees(If , the tree is removed).0ec

)(ˆˆˆ E ff Get .)(1

x

e ee fcf• Interpretable structure through typical tree(max )

1e

c• Interpretable structure through typical tree(max )ec

1010

Ensembled MARS ith non negati e garrote(2/2)Ensembled MARS with non-negative garrote(2/2)g g

ti t (B i 1995)non-negative garrote (Breiman,1995)

N P

P 2)(ˆP

pnppn

Pp xcYc

P

2)(1 )ˆ(min arg}ˆ{ scc pp ,0  , subject to ,

n pnppn

cp P

p 1 1}{1 )(g}{

1

p

pp 1

,, j ,

h i th l t ti t d P1where is the least square estimator and .p Ps 1

Ensembled MARS with non-negative garrote g g

N E E

N E

E fcYc 2))(ˆ(minarg}ˆ{ x 10 E

ccbj t t neenc

e fcYcE

1 1}{1 ))((min arg}{

1

x 1,01

ee cc  , subject to , n ece 1 1}{ 1 1e

ˆwhere is MARS model.)(ˆnef x )( nef

h t i ticharacteristics

• All indicates BaggingEc /1All indicates Bagging.Ece /1

• Selection of optimal is unnecessary( ). s 1sp y( )s s

1111

AgendaAgendag

• Introduction and motivation• Introduction and motivationPre io s research• Previous research M lti i t Ad ti R iMultivariate Adaptive RegressionMultivariate Adaptive Regression

Splines(MARS)Splines(MARS)p ( )Bagging MARSBagging MARSgg g

O th d d• Our method proposedOur method proposedEnsembled MARS with non-negative garroteEnsembled MARS with non negative garrote

• Example and simulation• Example and simulation• Concluding remarks• Concluding remarksg

1212

Literature exampleLiterature examplep

Prostate cancer data (Stamney et al 1989: Tibshirani 1996)Prostate cancer data (Stamney et al.,1989: Tibshirani,1996)

L l f t t ifi tiy• : Level of prostate-specific antigenyT• : Clinical measuresT

81 ),...,( xxx: Log of tumor size

81 ), ,(x : Log of tumor size1x

: Weight of prostate2x : Weight of prostate P ti t’

2

: Patient’s age 3x: Log of benign prostatic hyperplasia amount4x : Log of benign prostatic hyperplasia amount4x: Dummy variables of whether it is metastasizing to seminal vesicle5x y g: Log of capsular penetration

5

x : Log of capsular penetration 6x: Gleason score7x : Gleason scoreGl ’ ti f 4 5

7

x : Gleason score’s ratio of 4 or 58x

• Sample size : 97Np

1313

Literature exampleLiterature examplep

0 50.5

0.45

0 40.4

V

0 35CV

0.35

GC

G

0.3

0 250.25

0 20.2

Ensembled BaggingMARS NNG

gg gMARSMARS-NNG MARS

1414

Literature exampleLiterature examplep

• Number of trees• Number of treesBagging Ensembled MARS-NNG

97 997 9

• Structure• StructureBagging Ensembled MARS-NNG

1x 2x 2x2x

x 1x4x

Typical treecandidates

Typical treecandidates

1515

Small simulationSmall simulation

• Design• Design Model(Friedman 1991) Model(Friedman,1991)

510)50(20)sin(10 2 xxxxxy where is )10(N,510)5.0(20)sin(10 54321 xxxxxy where is . )1,0(N

T i i l i 100 Training sample size: 100 Testing sample size: 1 000 Testing sample size: 1,000 Number of simulation: 100

M th d• MethodMethod MARS B i MARS E bl d MARS NNG MARS, Bagging MARS, Ensembled MARS-NNG

E l ti• EvaluationMSE (St d di d )MSESTD(Standardized mean square error)( q )

1616

Small simulationSmall simulation

0.07

0.065

DE

ST

0 06MS

E

0.06M

0 0550.055

0.05

Ensembledse b edMARS-NNG Bagging MARS MARSMARS NNG

Number 11 6Numberof trees

11.6( d)

100 1of trees (averaged)

1717

AgendaAgendag

• Introduction and motivation• Introduction and motivationPre io s research• Previous research M lti i t Ad ti R iMultivariate Adaptive RegressionMultivariate Adaptive Regression

Splines(MARS)Splines(MARS)p ( )Bagging MARSBagging MARSgg g

O th d d• Our method proposedOur method proposedEnsembled MARS with non-negative garroteEnsembled MARS with non negative garrote

• Example and simulation• Example and simulation• Concluding remarks• Concluding remarksg

1818

Concluding remarksConcluding remarksg

• We proposed a new ensembled method of• We proposed a new ensembled method of p pMARSMARS.O h d d i bl d i blOur method proposed is stable and interpretable.p p p

• Ensembled MARS NNG provided superior• Ensembled MARS-NNG provided superior p por comparable results to MARS andor comparable results to MARS and pBagging MARSBagging MARS.gg g

1919

ReferencesReferences

• Breiman, L. (1995) Better subset regression using the nonnegative , ( ) g g ggarrote. Technometrics, 37,373-384.g , ,

• Breiman L (1996) Bagging predictors Machine Learning 24 123-• Breiman, L. (1996). Bagging predictors. Machine Learning, 24, 123-140140. B i L F i d J H Ol h R A & St C J (1984)• Breiman, L., Friedman, J. H., Olshen, R. A. & Stone, C. J. (1984). Cl ifi ti A d R i T W d thClassification And Regression Trees. Wadsworth.

• Friedman, J. H. (1991) Multivariate Adaptive Regression SplinesFriedman, J. H. (1991) Multivariate Adaptive Regression Splines (with discussion) Annals of Statistics 19 1-141(with discussion). Annals of Statistics,19, 1 141.

• Friedman J H (2001) Greedy function approximation: a gradient• Friedman, J. H. (2001). Greedy function approximation: a gradient boosting machine Ann Statist 29(5) 1189 1232boosting machine. Ann. Statist., 29(5), 1189-1232.

• Meinshausen N (2009): Node Harvest: simple and interpretableMeinshausen, N. (2009): Node Harvest: simple and interpretable regression and classification Arxiv preprint arXiv:0910 2145regression and classification. Arxiv preprint arXiv:0910.2145.

• Motogaito, H., Sugimoto, T. & Goto, M. (2007): Multivariate AdaptiveMotogaito, H., Sugimoto, T. & Goto, M. (2007): Multivariate Adaptive Regression Splines with Non negative Garrote Estimator JapaneseRegression Splines with Non-negative Garrote Estimator. Japanese J A l St ti t 36 99 118 (i J )J. Appl. Statist., 36, 99-118 (in Japanese).

• Yuan M & Lin Y (2007) On the non negative garrote estimator J• Yuan, M. & Lin, Y. (2007) On the non-negative garrote estimator. J. R St ti t S B 69(2) 143 161R. Statist. Soc., B 69(2), 143-161.

2020

Thank you very much for your attentionThank you very much for your attentiony y y

h-motogt@sigmath es osaka-u ac jph-motogt@sigmath.es.osaka-u.ac.jp

2121

Back pBack upBack upp

2222

Small simulationSmall simulation

0 06620 07

0.0597 0.06620.07

0 05950 065

0.05950.065

0 05450,0545

0 060.0567

0.06

0 0 440.0544

0 0550.0550 06090.0609

0.05 0.05730.0570

0.05730.0570

EnsembledEnsembledMARS-NNG Bagging MARS MARSMARS-NNG gg g

2323

Literature exampleLiterature examplep

1x x x1x 1x 8x 8x 1x1

x x x2x 3x 6x

MARSMARSMARSMARSMARSMARS24242424

Literature exampleLiterature examplep

x1x 2x 2x2x1

xx 1x4x

EnsembledEnsembledEnsembledEnsembledMARS NNGMARS NNGMARS-NNGMARS-NNG

25252525