Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data...

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Nonparametric Importance Sampling for Big Data Abigael C. Nachtsheim SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Research Training Group Spring 2018 Advisor: Dr. Stufken

Transcript of Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data...

Page 1: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

Nonparametric Importance Sampling for Big Data

Abigael C. Nachtsheim

 

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES

Research Training Group Spring 2018

Advisor: Dr. Stufken

Page 2: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Motivation

• Goal: build a model that predicts well over the predictor space• Massive amounts of data increasingly available• Big data presents computational challenges• First step: some method of data reduction

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Data Reduction Overview

• Our data set consists of n observations• n is very large

• From the full data, select s observations• s << n•  the s observations make up the subdata

• Carry out data analysis on subdata only

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Data Reduction Overview: Example

• Full data: 1 response, 9 predictors, 10,000,000 observations• n = 10,000,000

• Choose s = 5,000• Subdata: 1 response, 9 predictors, 5,000 observations

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Data Reduction Overview

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Obs   Y X1   X2   X3   X4   X5   X6   X7   X8   X9  

1  

2  

3  

4  

5  

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7  

8  

9  

10M  

Obs   Y X1   X2   X3   X4   X5   X6   X7   X8   X9  

1  

2  

3  

5K  

Page 6: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Data Reduction Overview

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Obs   Y X1   X2   X3   X4   X5   X6   X7   X8   X9  

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2  

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5  

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10M  

Obs   Y X1   X2   X3   X4   X5   X6   X7   X8   X9  

1  

2  

3  

5K  

But  how  do  we  choose?  

Page 7: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Selecting Subdata: Approach 1

• Goal: Subdata that is similar to full data• Just take a simple random sample- Fast- Easy

• But this may not be the best sample for prediction

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Selecting Subdata: Approach 2

• Goal: select an optimal subsample- Determinant of information matrix- Mean square error for prediction

• Select subdata carefully to optimize some criterion• Improves properties of the estimator

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Page 9: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Approach 2: Some Methods

• Leverage-based subsampling• Shrinkage leveraging method• Unweighted leveraging estimator• Information-Based Optimal Subdata Selection (IBOSS)*

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*Wang, H., Yang, M., & Stufken, J. (2017). Information-Based Optimal Subdata Selection for Big Data Linear Regression. Journal of the American Statistical Association

Page 10: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Approach 2 Example: IBOSS

• Goal: maximize determinant of subdata information matrix

• Some nice properties- Unbiased estimators- Variance of estimators ! 0 as n ! ∞- Computationally efficient

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Page 11: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Approach 2 Example: IBOSS

• Drawback: assumes linear model

• With big data we may not be able to guess the underlying model

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Another Possibility?

• Nonparametric approach- We don’t know the underlying model

• Goal: spread the subdata out throughout full region

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Today’s Plan

1)  Consider 2 new methods- Clustering- Space-filling design

2)  Perform a simulation study to evaluate the methods

3)  Conclusions

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

k-means Clustering

• Divide dataset into k initial clusters• Assign each point to cluster with nearest mean• Euclidean distance

• Update means• RepeatMinimizes within cluster sum of squares

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Page 15: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Potential Method 1: Clustering

• Cluster full data using k-means

• Choose subsample from clusters based on cluster characteristics

We consider two clustering sampling strategies

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Two Possible Strategies

1)  Inversely proportional to density of cluster• Sparse cluster " sample (proportionally) more points• Dense cluster " sample (proportionally) fewer points

2)  Equal subsample size from each cluster• Take s/k points from each cluster

Both are attempts at selecting subsample uniformly from the full sample

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Space Filling Designs

• Spread design points through experimental region

• Used when form of underlying model is unknown

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Some Examples

• Sphere Packing Design• Uniform Design• Fast Flexible Filling Design• Latin Hypercube Design*

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*McKay, M., Beckman, R., & Conover, W. (1979). Comparison of Three Methods for Selecting Values of Input Variables in the Analysis of Output from a Computer Code. Technometrics, 21(2), 239-245.

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Potential Method 2: Design

• Construct Latin hypercube design with k points• Cluster full data around these points• Sample equally from each cluster

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim 20

Simulation Study: Generate X

• One dimensional, mixture of Normals, n = 1000• Z1 ~ N(-100, 10,000)• Z2 ~ N(300, 1)• wi ~ Bernoulli(0.1)

Xi = wi*Z1 + (1 – wi)*Z2

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim 21

Simulation Study: Generate Y

• E(Yi | Xi ) = -0.002222 * Xi 2• Y(Xi ) = E(Yi | Xi ) + 30*εiεi = independent standard normal errors

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Simulation Study Analysis

For each of 1000 data sets with n = 1000:• Select subdata, s = 50 using each method- Simple random sample- IBOSS- Cluster with inverse proportional size, k = 5- Cluster with equal size, k = 5- Space-filling design, k = 5

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Simulation Study Analysis

• Using subdata only, estimate a model- Use OLS- Fit quadratic model

• Compute integrated predicted mean squared error

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Page 24: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Simulation Results

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10% of the data is here

Page 25: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Simulation Results

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90% of the the data is here10% of the data is here

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SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Simulation Results

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90% of the the data is here10% of the data is here

This is the true response:Y = -0.002222*X2

Page 27: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Simple Random Sample

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Page 28: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

IBOSS

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Page 29: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Cluster: Equal Sizes

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Page 30: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Cluster: Inverse Proportional Sizes

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Page 31: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Space-filling Design

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Page 32: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Full Data

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Page 33: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Toy Example: Results

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Method Predicted RMSE  

Simple Random Sample  

59,498  

IBOSS  

25.76  

Cluster: Inverse Prop.  

12.46  

Space-Filling Design  

9.33  

Cluster: Equal  

9.31  

Full Data  

4.97

Page 34: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Toy Example: Results

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Method Predicted RMSE  

Simple Random Sample  

59,498  

IBOSS  

25.76  

Cluster: Inverse Prop.  

12.46  

Space-Filling Design  

9.33  

Cluster: Equal  

9.31  

Full Data  

4.97

Page 35: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Example with Real Data

• n = 4.2 million • p = 15• 1 continuous response• Used in the IBOSS paper

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Page 36: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Example with Real Data

• Construct subdata of size s = 2,000• Consider 4 methods:- Simple random sample- IBOSS- Space-filling design- Cluster: Equal

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Page 37: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Example with Real Data

• Fit two models- First-order linear model (as in IBOSS paper)- Second-order linear model

• Compute holdout predicted mean squared error

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Page 38: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Real Data Results: First-Order Model

Method Predicted MSEIBOSS 434.56Simple random sample 0.0106Cluster: Equal 0.0118Space-filling design 0.0148

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Using 2,000 observations

Using 4.2 million observations

Predicted MSE from the full data: 0.0105

Page 39: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Real Data Results: Second-Order Model

Method Predicted MSEIBOSS 90,545.1Simple random sample 0.0085Cluster: Equal 0.0053Space-filling design 0.0038

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Using 2,000 observations

Using 4.2 million observations

Predicted MSE from the full data: 0.0022

Page 40: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Real Data Results: Second-Order Model

Method Predicted MSEIBOSS 90,545.1Simple random sample 0.0085Cluster: Equal 0.0053Space-filling design 0.0038

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Using 2,000 observations

Using 4.2 million observations

Predicted MSE from the full data: 0.0022

Page 41: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Preliminary Conclusions

• We can spread points uniformly using clustering and space-filling methods • If goal is prediction: clustering and space-filling methods as good or better than simple random sample• Space-filling design method performs best with quadratic model

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Page 42: Nonparametric Importance Sampling for Big Dataasurtg/Projects/RTGSlidesNachtsheimS18.pdfReal Data Results: First-Order Model Method Predicted MSE IBOSS 434.56 Simple random sample

SCHOOL OF MATHEMATICAL AND STATISTICAL SCIENCES Abigael C. Nachtsheim

Future work

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1) More extensive simulation study involving• Different sizes of k• Different underlying models

2)  Explore alternative methods to choose seed points• Fast Flexible Filling Design• Uniform random sample

3)  Nearest neighbor to seed points rather than cluster4)  Consider large sample properties