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PLOWING THROUGH THE PLS PATH MODEL:
OPERATIONALIZING PREDICTION
FROM MEASUREMENT AND STRUCTURE
Institute of Service Science
National Tsing Hua University
Taiwan, R.O.C.
Soumya Ray
Associate Professor
Nicholas Danks
Phd Student
Galit Shmueli
Distinguished Professor
A Simple PLS Model
X1
X2
Y1
β1
β2
x11
x12
x13
λ11
λ12
λ13
x21
x22
x23
λ23
λ22
λ21
y11
y12
y13
λ33
λ32
λ31
Exogenous Factors Endogenous Factors
Structural model (Inner model)
Measurement Model (Outer Model)
y14
λ34
Overview of Prediction Process
𝑥"#
$
𝑦&#
$
𝑥"#
'
𝑦&#
'
𝑦&#
'
𝒚)𝒍𝒋
,
w β λ
Training Data (~70%)
Holdout Data (~30%)
Evaluation
Data Split
Training
Prediction
Training: Estimation of PLS Model
Y1 Y2β
X1
X2
β
β
X
x23
x21
x22
λ
λ
λ
X
x13
x11
x12
w
w
w
Measurement Model
Structural Model
weightsloadings
structural paths
Prediction: Forming Exogenous Scores
2. Predict 𝑿. 𝒊
𝑋1" = 3 𝑤"#
$
5 𝑥"#
'
unstandardized holdout data
standardized
holdout data
𝑥"#7
'
=
𝑥"#7
,'
− 𝜇"#
$
𝜎"#
$ training descriptives
1. Create standardized holdout data 𝒙𝒊𝒋𝒌
𝒉
training weights
𝑋1>
xh
13
xh
11
xh
12
𝑤>>
$
𝑤>?
$
𝑤>@
$
x’h
11
x’h
12
x’h
13
unstandardized
holdout data
standardized
holdout data
Prediction: Structural Latent
𝑋1>
𝑌1>
𝑋1?
𝛽>>
$
𝛽?>
$
Predict 𝒀.
𝑌1&7 = 3 𝛽"&
$
5 𝑋1"7
predicted scores
training paths
Prediction: Outcome Items
𝑦D&#7 = 𝜆&#
$
5 𝑌1&7
training loadings
1. Predict 𝑦D"#
predicted item
𝑦D&#7
,
= 𝑦D&#7 5 𝜎&#
$
+ 𝜇&#
$
2. Destandardized predictions 𝒚) 𝒍𝒋
,𝑌1>
𝒚) 𝟏𝟏
𝒚) 𝟏𝟏
𝒚) 𝟏𝟏
𝜆>>
$
𝜆>?
$
𝜆>@
$
yD′
11
yD′
12
yD′
13
predicted scores
training data
descriptives
𝑦&#
'
=
𝑦&#
,'
− 𝜇&#
'
𝜎&#
'
Evaluation: Prediction Metrics
2. Item-level RMSE1. Factor-level RMSE
𝑌&
'
= 3 𝑤&#
'
5 𝑦&#
'
#
a. Create standardized holdout items
𝑅𝑀𝑆𝐸L1M
=
∑ (𝑌&7
'
− 𝑌1&7)?Q
7R>
𝑛
𝑅𝑀𝑆𝐸TDUV
W =
∑ (𝑦&#7
,'
− 𝑦D&#7
,
)?Q
7R>
𝑛
Y.>
𝒚) 𝟏𝟑
𝒚) 𝟏𝟏
𝒚) 𝟏𝟐
yD′
11
yD′
12
yD′
13
holdout weights
standardized
holdout items
b. Estimate out-of-sample Y scores
holdout descriptives
Evaluation: Cross-Validation
𝑥"# 𝑦"#
𝑥"# 𝑦"#
!"#$
%
!"#$
%
!"#$
%
!"#$
%
Training Data Folds
10-fold Cross Validation
∑ ∑ (𝑦&#7[
,'
− 𝑦D&#7[
,
)?Q
7R>

[R>
𝑛 5 𝑝
∑
∑ (𝑦&#7[
,'
− 𝑦D&#7[
,
)?Q
7R>
𝑛

[R>
𝑝
Average k-fold RMSE
is not equivalent
4. Estimate k-fold 𝑹𝑴𝑺𝑬 𝒚) 𝒊𝒋
W
𝑥"# 𝑦"#
𝑥"# 𝑦"#
𝑥"# 𝑦"#
𝑥"# 𝑦"#
𝑥"# 𝑦"#
𝑥"# 𝑦"#
Holdout Data Folds
1. Create 10 combinations of:
90% training
10% holdout
2. Estimate Training Models
3. Predict holdout outcomes
Evaluation: Prediction Intervals
𝑥"#
'
𝑦&#
'
!"#
$
%"#
$
!"#
$
%"#
$
!"#
$
%"#
$
!"#
$
%"#
$
1. Bootstrap Training Datasets (B=1000)
Bootstrapping
4. Predict B holdout outcomes
Single Holdout Dataset
2. Estimate B
training models
3. Predict B training outcomes
𝑦D&#
'
𝑦D&#
$
𝑦D&#
'
𝑦D&#
$
𝑦D&#
'
𝑦D&#
$
𝑦D&#
'
𝑦D&#
$
5. Compute Training
Prediction Errors
6. Add randomly selected
error to each prediction
𝑒&#7
$
= 𝑦&#7
$
− 𝑦D&#7
$
𝑦D&#7
'∗
= 𝑦D&#7
'
+ 𝑒&#7
$
7. Choose 95% interval of 𝒚)𝒍𝒋𝒌
𝒉∗
Evaluation: Visualizing Predictions
Sort cases by:
1. Actuals
2. Predicted values
Case-wise prediction interval
Average-case prediction interval
Case-specific prediction
Actual case value
Likert Scale Prediction Intervals
Cases, sorted
Actuals,Predictions,Intervals
Simulated Likert Scale Data Model
Open Issues
Y1 Y2
β
y23
y21
y22
λ
λ
λ
X1
x13
x11
x12
w
w
w
y13y11 y12
λ λ
X2
x23
x21
x22
λ
λ
λ
β
β
y14
λ λ
Mediated Models
Alternative PLS Estimation
Consistent PLS WarpPLS
Implementations
https://github.com/ISS-Analytics/pls-predict
https://github.com/ISS-Analytics/seminr
predictions,	
intervals
modeling,
mediation
visualizations,
reports
Summer 2017 Fall 2017 Winter 2017
PLSpredict v0.1
SEMinR v0.1
PLSpredict v0.2
SEMinR v0.2
PLSpredict v1.0
SEMinR v1.0
library(seminr)
sec = read.csv("security_data.csv")
# Measurement Model
sec_mm <- measure(
reflect("TRUST", multi_items("TRST", 1:4)),
reflect("SEC", multi_items("PSEC", 1:4)),
form("REP", multi_items("PREP", 1:4)),
reflect("INV", multi_items("PINV", 1:3)),
reflect("POL", multi_items("PPSS", 1:3)),
reflect("FAML", single_item("FAML1"))
)
sec_intxn <- interact(
interaction_ortho("REP", "POL")
)
print_paths(sec_pls)
SEC TRUST
R^2 0.44 0.37
REP 0.30 .
INV 0.17 .
POL 0.32 .
FAML 0.01 .
REP.POL -0.11 .
SEC . 0.61

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Soumya Ray - PLS 2017 - Operationalizing Prediction in PLS Models

  • 1. PLOWING THROUGH THE PLS PATH MODEL: OPERATIONALIZING PREDICTION FROM MEASUREMENT AND STRUCTURE Institute of Service Science National Tsing Hua University Taiwan, R.O.C. Soumya Ray Associate Professor Nicholas Danks Phd Student Galit Shmueli Distinguished Professor
  • 2. A Simple PLS Model X1 X2 Y1 β1 β2 x11 x12 x13 λ11 λ12 λ13 x21 x22 x23 λ23 λ22 λ21 y11 y12 y13 λ33 λ32 λ31 Exogenous Factors Endogenous Factors Structural model (Inner model) Measurement Model (Outer Model) y14 λ34
  • 3. Overview of Prediction Process 𝑥"# $ 𝑦&# $ 𝑥"# ' 𝑦&# ' 𝑦&# ' 𝒚)𝒍𝒋 , w β λ Training Data (~70%) Holdout Data (~30%) Evaluation Data Split Training Prediction
  • 4. Training: Estimation of PLS Model Y1 Y2β X1 X2 β β X x23 x21 x22 λ λ λ X x13 x11 x12 w w w Measurement Model Structural Model weightsloadings structural paths
  • 5. Prediction: Forming Exogenous Scores 2. Predict 𝑿. 𝒊 𝑋1" = 3 𝑤"# $ 5 𝑥"# ' unstandardized holdout data standardized holdout data 𝑥"#7 ' = 𝑥"#7 ,' − 𝜇"# $ 𝜎"# $ training descriptives 1. Create standardized holdout data 𝒙𝒊𝒋𝒌 𝒉 training weights 𝑋1> xh 13 xh 11 xh 12 𝑤>> $ 𝑤>? $ 𝑤>@ $ x’h 11 x’h 12 x’h 13 unstandardized holdout data standardized holdout data
  • 6. Prediction: Structural Latent 𝑋1> 𝑌1> 𝑋1? 𝛽>> $ 𝛽?> $ Predict 𝒀. 𝑌1&7 = 3 𝛽"& $ 5 𝑋1"7 predicted scores training paths
  • 7. Prediction: Outcome Items 𝑦D&#7 = 𝜆&# $ 5 𝑌1&7 training loadings 1. Predict 𝑦D"# predicted item 𝑦D&#7 , = 𝑦D&#7 5 𝜎&# $ + 𝜇&# $ 2. Destandardized predictions 𝒚) 𝒍𝒋 ,𝑌1> 𝒚) 𝟏𝟏 𝒚) 𝟏𝟏 𝒚) 𝟏𝟏 𝜆>> $ 𝜆>? $ 𝜆>@ $ yD′ 11 yD′ 12 yD′ 13 predicted scores training data descriptives
  • 8. 𝑦&# ' = 𝑦&# ,' − 𝜇&# ' 𝜎&# ' Evaluation: Prediction Metrics 2. Item-level RMSE1. Factor-level RMSE 𝑌& ' = 3 𝑤&# ' 5 𝑦&# ' # a. Create standardized holdout items 𝑅𝑀𝑆𝐸L1M = ∑ (𝑌&7 ' − 𝑌1&7)?Q 7R> 𝑛 𝑅𝑀𝑆𝐸TDUV W = ∑ (𝑦&#7 ,' − 𝑦D&#7 , )?Q 7R> 𝑛 Y.> 𝒚) 𝟏𝟑 𝒚) 𝟏𝟏 𝒚) 𝟏𝟐 yD′ 11 yD′ 12 yD′ 13 holdout weights standardized holdout items b. Estimate out-of-sample Y scores holdout descriptives
  • 9. Evaluation: Cross-Validation 𝑥"# 𝑦"# 𝑥"# 𝑦"# !"#$ % !"#$ % !"#$ % !"#$ % Training Data Folds 10-fold Cross Validation ∑ ∑ (𝑦&#7[ ,' − 𝑦D&#7[ , )?Q 7R> [R> 𝑛 5 𝑝 ∑ ∑ (𝑦&#7[ ,' − 𝑦D&#7[ , )?Q 7R> 𝑛 [R> 𝑝 Average k-fold RMSE is not equivalent 4. Estimate k-fold 𝑹𝑴𝑺𝑬 𝒚) 𝒊𝒋 W 𝑥"# 𝑦"# 𝑥"# 𝑦"# 𝑥"# 𝑦"# 𝑥"# 𝑦"# 𝑥"# 𝑦"# 𝑥"# 𝑦"# Holdout Data Folds 1. Create 10 combinations of: 90% training 10% holdout 2. Estimate Training Models 3. Predict holdout outcomes
  • 10. Evaluation: Prediction Intervals 𝑥"# ' 𝑦&# ' !"# $ %"# $ !"# $ %"# $ !"# $ %"# $ !"# $ %"# $ 1. Bootstrap Training Datasets (B=1000) Bootstrapping 4. Predict B holdout outcomes Single Holdout Dataset 2. Estimate B training models 3. Predict B training outcomes 𝑦D&# ' 𝑦D&# $ 𝑦D&# ' 𝑦D&# $ 𝑦D&# ' 𝑦D&# $ 𝑦D&# ' 𝑦D&# $ 5. Compute Training Prediction Errors 6. Add randomly selected error to each prediction 𝑒&#7 $ = 𝑦&#7 $ − 𝑦D&#7 $ 𝑦D&#7 '∗ = 𝑦D&#7 ' + 𝑒&#7 $ 7. Choose 95% interval of 𝒚)𝒍𝒋𝒌 𝒉∗
  • 11. Evaluation: Visualizing Predictions Sort cases by: 1. Actuals 2. Predicted values Case-wise prediction interval Average-case prediction interval Case-specific prediction Actual case value
  • 12. Likert Scale Prediction Intervals Cases, sorted Actuals,Predictions,Intervals Simulated Likert Scale Data Model
  • 13. Open Issues Y1 Y2 β y23 y21 y22 λ λ λ X1 x13 x11 x12 w w w y13y11 y12 λ λ X2 x23 x21 x22 λ λ λ β β y14 λ λ Mediated Models Alternative PLS Estimation Consistent PLS WarpPLS
  • 14. Implementations https://github.com/ISS-Analytics/pls-predict https://github.com/ISS-Analytics/seminr predictions, intervals modeling, mediation visualizations, reports Summer 2017 Fall 2017 Winter 2017 PLSpredict v0.1 SEMinR v0.1 PLSpredict v0.2 SEMinR v0.2 PLSpredict v1.0 SEMinR v1.0 library(seminr) sec = read.csv("security_data.csv") # Measurement Model sec_mm <- measure( reflect("TRUST", multi_items("TRST", 1:4)), reflect("SEC", multi_items("PSEC", 1:4)), form("REP", multi_items("PREP", 1:4)), reflect("INV", multi_items("PINV", 1:3)), reflect("POL", multi_items("PPSS", 1:3)), reflect("FAML", single_item("FAML1")) ) sec_intxn <- interact( interaction_ortho("REP", "POL") ) print_paths(sec_pls) SEC TRUST R^2 0.44 0.37 REP 0.30 . INV 0.17 . POL 0.32 . FAML 0.01 . REP.POL -0.11 . SEC . 0.61