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CO COMPSTAT2010 in Paris S 2010 Ensembled Multivariate Adaptive Regression Splines Ensembled Multivariate Adaptive Regression Splines with Nonnegative Garrote Estimator ith N ti G t E ti t Hiroki Motogaito g Osaka University Osaka


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SLIDE 1

CO S 2010 COMPSTAT2010 in Paris

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

Hiroki Motogaito g Osaka University Osaka University M hi G t Masashi Goto Biostatistical Research Association NPO Biostatistical Research Association, NPO. JAPAN JAPAN

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SLIDE 2

Agenda Agenda g

  • Introduction and motivation
  • Introduction and motivation

Tree methods

  • Tree methods
  • M lti

i t Ad ti R i

  • Multivariate Adaptive Regression
  • Multivariate Adaptive Regression

Splines(MARS) Splines(MARS) p ( )

  • Bagging MARS
  • Bagging MARS

gg g

O th d d

  • Our method proposed

Our method proposed

  • Ensembled MARS with nonnegative garrote
  • Ensembled MARS with nonnegative garrote
  • Example and simulation
  • Example and simulation
  • Concluding remarks
  • Concluding remarks

g

2

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SLIDE 3

Agenda Agenda g

  • Introduction and motivation
  • Introduction and motivation

Tree methods

  • Tree methods
  • M lti

i t Ad ti R i

  • Multivariate Adaptive Regression
  • Multivariate Adaptive Regression

Splines(MARS) Splines(MARS) p ( )

  • Bagging MARS
  • Bagging MARS

gg g

O th d d

  • Our method proposed

Our method proposed

  • Ensembled MARS with nonnegative garrote
  • Ensembled MARS with nonnegative garrote
  • Example and simulation
  • Example and simulation
  • Concluding remarks
  • Concluding remarks

g

3

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SLIDE 4

Introduction and motivation Introduction and motivation

Unstable Less interpretable Unstable Less interpretable

) ( ˆ f ) (x f ˆ ) ( ˆ x f

) ( ˆ x f

St bili i

) ( ˆ x f ) (x f

) (x f

Stabilizing

Bagging MARS gg g (Breiman,1996) (Friedman,1991) (Breiman,1996) (Friedman,1991)

M ti ti Motivation

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

4

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SLIDE 5

Agenda Agenda g

  • Introduction and motivation
  • Introduction and motivation

Tree methods

  • Tree methods
  • M lti

i t Ad ti R i

  • Multivariate Adaptive Regression
  • Multivariate Adaptive Regression

Splines(MARS) Splines(MARS) p ( )

  • Bagging MARS
  • Bagging MARS

gg g

O th d d

  • Our method proposed

Our method proposed

  • Ensembled MARS with nonnegative garrote
  • Ensembled MARS with nonnegative garrote
  • Example and simulation
  • Example and simulation
  • Concluding remarks
  • Concluding remarks

g

5

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SLIDE 6

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

  • Model form
  • Model form

Regression model Basis function

M K

Regression model Basis function

M

B f ) ( ˆ ˆ ˆ  

m

K q

i B )] ( [ ) (

 

m mB

f

MARS

) (x  

 

q m k m k p m k m

t x i B

) , ( ) , ( ) , (

)] ( [ ) (x

 m 1

  k m k m k p m k m 1 ) , ( ) , ( ) , (

  • Algorithms
  • Algorithms
  • Forward stepwise

0.5

  • Forward stepwise

0.45

 Increase basis functions

0.4

 Increase basis functions

0 3 0.35

  • Backward stepwise

0 25 0.3

数の値

  • Backward stepwise

 P ff

0 2 0.25

基底関数

 Prune off

0.15 0.2

 Select the best tree

0.1 0.15

  )] 5 . ( [

p

x

  )] 5 . ( [

p

x

 Select the best tree

0.05

)] ( [

p 

)] ( [

p

0 2 0 4 0 6 0 8 1

0 2 0 4 0 5 0 6 0 8 1 x

0.2 0.4 0.6 0.8 1

p

x

0.2 0.4 0.5 0.6 0.8 1

p

x

1 d k t t 0 5 q=1 and knot t=0.5 6

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SLIDE 7

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

  • Model form(Bagging MARS)
  • Model form(Bagging MARS)

Regression model Each tree Regression model

1

Each tree

) ( ˆ 1 ˆ

E f

f

MARS d l

) ( ˆ f ) (

1 MARS Bagging

x

 

e e

f E f

: MARS model

) (x

e

f

1 gg g

 

e

E

  • Algorithms
  • Algorithms

Sample p

Bootstrap sample Bootstrap sample Bootstrap sample Bootstrap sample Bootstrap sample

+ +・・・+ +・・・+

) ( ˆ x f ) ( ˆ f ) ( ˆ f ) ( ˆ f ) (

1 x

f ) (

2 x

f

) ( x

e

f ) ( x

E

f

ˆ

7

averaging

) (x f

7

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SLIDE 8

Agenda Agenda g

  • Introduction and motivation
  • Introduction and motivation

Pre io s research

  • Previous research
  • M lti

i t Ad ti R i

  • Multivariate Adaptive Regression
  • Multivariate Adaptive Regression

Splines(MARS) Splines(MARS) p ( )

  • Bagging MARS
  • Bagging MARS

gg g

O th d d

  • Our method proposed

Our method proposed

  • Ensembled MARS with nonnegative garrote
  • Ensembled MARS with nonnegative garrote
  • Example and simulation
  • Example and simulation
  • Concluding remarks
  • Concluding remarks

g

8

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SLIDE 9

Proposed method Proposed method p

Motivation

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

Stable, but less interpretable Stable and interpretable

2 3

1

Selection

1 4

1

& Ranking Ranking

4 5

Typical tree

4 5

Typical tree

nonnegative

Bagging Proposed method

nonnegative t

Bagging Proposed method

garrote (B i 1995) (Breiman,1995)

9

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SLIDE 10

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

  • Model form
  • Model form

Regression model Each tree g

E

) ( ˆ ˆ ˆ x

E

f c f

: MARS model :non-negative garrote estimator

) ( ˆ x f c ˆ ) (

1

x

 

e e e f

c f

: MARS model , :non negative garrote estimator

) (x

e

f

e

c

  • Algorithms
  • Algorithms
  • Generate Bagging trees
  • Generate Bagging trees.
  • Att

h h t d ti t i ti

ˆ

  • Attach
  • n each tree and estimate using nonnegative

e

c

e

c

garrote(Breiman,1995).

e e

g ( , ) Select candidate trees(If the tree is removed)

ˆ  c

― Select candidate trees(If , the tree is removed).

e

c

) ( ˆ ˆ ˆ 

E

f f

  • Get .

) (

1

x

 

e e e f

c f

  • Interpretable structure through typical tree(max

)

1

e

c ˆ

  • Interpretable structure through typical tree(max )

e

c

10 10

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SLIDE 11

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 ) (

ˆ

P

  

 

p n p p n P p

x c Y c

P

2 ) ( 1

) ˆ ( min arg } ˆ {  s c c

p p

 

,

, subject to ,

 

  n p n p p n c p

P p

1 1 } { 1

) ( g } {

1

p p p

1

,

, j , h i th l t ti t d

 ˆ P   1

where is the least square estimator and .

p

 P s   1

Ensembled MARS with non-negative garrote g g

N E E

 

N E E

f c Y c

2

) ) ( ˆ ( min arg } ˆ { x 1 

E

c c

bj t t

 

 

n e e n c e

f c Y c

E

1 1 } { 1

) ) ( ( min arg } {

1

x 1 ,

1

 

e e

c c

, subject to ,

  n e ce 1 1 } {

1

1  e

ˆ

where is MARS model.

) ( ˆ

n e

f x ) (

n e

f

h t i ti characteristics

  • All

indicates Bagging

E c / 1 

All indicates Bagging.

E ce / 1 

  • Selection of optimal is unnecessary( ).

s 1  s

p y( )

s s

11 11

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SLIDE 12

Agenda Agenda g

  • Introduction and motivation
  • Introduction and motivation

Pre io s research

  • Previous research
  • M lti

i t Ad ti R i

  • Multivariate Adaptive Regression
  • Multivariate Adaptive Regression

Splines(MARS) Splines(MARS) p ( )

  • Bagging MARS
  • Bagging MARS

gg g

O th d d

  • Our method proposed

Our method proposed

  • Ensembled MARS with non-negative garrote
  • Ensembled MARS with non negative garrote
  • Example and simulation
  • Example and simulation
  • Concluding remarks
  • Concluding remarks

g

12 12

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SLIDE 13

Literature example Literature example p

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

L l f t t ifi ti

y

  • : Level of prostate-specific antigen

y

T

  • : Clinical measures

T 8 1

) ,..., ( x x  x

: Log of tumor size

8 1

) , , ( x : Log of tumor size

1

x

: Weight of prostate

2

x : Weight of prostate

P ti t’

2

: Patient’s age

3

x

: Log of benign prostatic hyperplasia amount

4

x : Log of benign prostatic hyperplasia amount

4

x

: Dummy variables of whether it is metastasizing to seminal vesicle

5

x

y g : Log of capsular penetration

5

x : Log of capsular penetration

6

x

: Gleason score

7

x : Gleason score

Gl ’ ti f 4 5

7

x : Gleason score’s ratio of 4 or 5

8

x

  • Sample size : 97

 N

p

13 13

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SLIDE 14

Literature example Literature example p

0 5 0.5 0.45 0 4 0.4

V

0 35

CV

0.35

GC G

0.3 0 25 0.25 0 2 0.2

Ensembled Bagging MARS NNG gg g MARS MARS-NNG MARS

14 14

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SLIDE 15

Literature example Literature example p

  • Number of trees
  • Number of trees

Bagging Ensembled MARS-NNG

97 9 97 9

  • Structure
  • Structure

Bagging Ensembled MARS-NNG

1

x

2

x

2

x

2

x x

1

x

4

x

Typical tree candidates Typical tree candidates 15 15

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SLIDE 16

Small simulation Small simulation

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

5 10 ) 5 ( 20 ) sin( 10

2

        x x x x x y

where is

 ) 1 ( N

, 5 10 ) 5 . ( 20 ) sin( 10

5 4 3 2 1

        x x x x x y

where is .

 ) 1 , ( 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

  • Method

Method

  • MARS B

i MARS E bl d MARS NNG

  • MARS, Bagging MARS, Ensembled MARS-NNG

E l ti

  • Evaluation
  • MSE

(St d di d )

  • MSESTD(Standardized mean square error)

( q )

16 16

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SLIDE 17

Small simulation Small simulation

0.07 0.065

D

EST

0 06

MSE

0.06

M

0 055 0.055 0.05

Ensembled se b ed MARS-NNG Bagging MARS MARS MARS NNG

Number 11 6 Number

  • f trees

11.6

( d)

100 1

  • f trees

(averaged) 17 17

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SLIDE 18

Agenda Agenda g

  • Introduction and motivation
  • Introduction and motivation

Pre io s research

  • Previous research
  • M lti

i t Ad ti R i

  • Multivariate Adaptive Regression
  • Multivariate Adaptive Regression

Splines(MARS) Splines(MARS) p ( )

  • Bagging MARS
  • Bagging MARS

gg g

O th d d

  • Our method proposed

Our method proposed

  • Ensembled MARS with non-negative garrote
  • Ensembled MARS with non negative garrote
  • Example and simulation
  • Example and simulation
  • Concluding remarks
  • Concluding remarks

g

18 18

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SLIDE 19

Concluding remarks Concluding remarks g

  • We proposed a new ensembled method of
  • We proposed a new ensembled method of

p p MARS MARS.

  • O

h d d i bl d i bl

  • Our method proposed is stable and interpretable.

p p p

  • Ensembled MARS NNG provided superior
  • Ensembled MARS-NNG provided superior

p p

  • r comparable results to MARS and
  • r comparable results to MARS and

p Bagging MARS Bagging MARS. gg g

19 19

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SLIDE 20

References References

  • Breiman, L. (1995) Better subset regression using the nonnegative

, ( ) g g g

  • garrote. Technometrics, 37,373-384.

g , ,

  • Breiman L (1996) Bagging predictors Machine Learning 24 123-
  • Breiman, L. (1996). Bagging predictors. Machine Learning, 24, 123-

140 140. 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 th Classification And Regression Trees. Wadsworth.

  • Friedman, J. H. (1991) Multivariate Adaptive Regression Splines

Friedman, 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 1232 boosting machine. Ann. Statist., 29(5), 1189-1232.

  • Meinshausen N (2009): Node Harvest: simple and interpretable

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

  • Motogaito, H., Sugimoto, T. & Goto, M. (2007): Multivariate Adaptive

Motogaito, H., Sugimoto, T. & Goto, M. (2007): Multivariate Adaptive Regression Splines with Non negative Garrote Estimator Japanese Regression 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) 143 161

  • R. Statist. Soc., B 69(2), 143-161.

20 20

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SLIDE 21

Thank you very much for your attention Thank you very much for your attention y y y

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

21 21

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SLIDE 22

Back p Back up Back up p

22 22

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SLIDE 23

Small simulation Small simulation

0 0662

0 07

0.0597 0.0662

0.07

0 0595

0 065

0.0595

0.065

0 0545 0,0545

0 06

0.0567

0.06

0 0 44 0.0544

0 055 0.055

0 0609 0.0609

0.05

0.0573 0.0570 0.0573 0.0570

Ensembled Ensembled MARS-NNG Bagging MARS MARS MARS-NNG gg g

23 23

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SLIDE 24

Literature example Literature example p

1

x x x

1

x

1

x

8

x

8

x

1

x

1

x x x

2

x

3

x

6

x

MARS MARS MARS MARS MARS MARS

24 24 24 24

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SLIDE 25

Literature example Literature example p

x

1

x

2

x

2

x

2

x

1

x x

1

x

4

x

Ensembled Ensembled Ensembled Ensembled MARS NNG MARS NNG MARS-NNG MARS-NNG

25 25 25 25