everything you wanted to know about definitive screening designs

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Copyright © 2013, SAS Institute Inc. All rights reserved. EVERYTHING YOU WANTED TO KNOW ABOUT DEFINITIVE SCREENING DESIGNS (but were afraid to ask) Bradley Jones April 2014

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An introduction to definitive screening designs (DSDs). These slides describe issues with standard screening designs and how to overcome these issues by using DSDs and orthogonally blocked DSD, first introduced by Bradley Jones of SAS and Christopher Nachtsheim of the Carlson School of Management, University of Minnesota. For information about using JMP software for design of experiments and DSDs, see http://www.jmp.com/applications/doe/

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Page 1: Everything You Wanted to Know About Definitive Screening Designs

Copyright © 2013, SAS Insti tute Inc. Al l r ights reserved.

EVERYTHING YOU WANTED TO KNOW

ABOUT DEFINITIVE SCREENING DESIGNS

(but were afraid to ask)

Bradley Jones

April 2014

Page 2: Everything You Wanted to Know About Definitive Screening Designs

Joint work with Chris Nachtsheim

Page 3: Everything You Wanted to Know About Definitive Screening Designs

DSDs Introduced in 2011

Page 4: Everything You Wanted to Know About Definitive Screening Designs

Paper won both the Brumbaugh and Lloyd S. Nelson Awards

Page 5: Everything You Wanted to Know About Definitive Screening Designs

Screening Design – Wish List

1. Orthogonal main effects.

2. Main effects uncorrelated with two-factor interactions and quadratic effects.

3. Estimable quadratic effects – three-level design.

4. Small number of runs – order of the number of factors.

5. Two-factor interactions not confounded with each other.

6. Good projective properties.

Page 6: Everything You Wanted to Know About Definitive Screening Designs

Motivation: Problems with Standard Screening Designs

Resolution III designs confound main effects and two-factor interactions.

Plackett-Burman designs have “complex aliasing of the main effects by two-factor interactions.

Resolution IV designs confound two-factor interactions with each other, so if one is active, you usually need further runs to resolve the active effects.

Center runs give an overall measure of curvature but you do not know which factor(s) are causing the curvature.

Example: JMP Demo

Page 7: Everything You Wanted to Know About Definitive Screening Designs

Solution: Definitive Screening Designs

1. Orthogonal for the main effects.

2. The number of required runs is only one more than twice the number of factors. ***

3. Unlike resolution III designs, main effects are independent of two-factor interactions.

4. Unlike resolution IV designs, two-factor interactions are not completely confounded with other two-factor interactions, although they may be correlated

5. Unlike resolution III, IV and V designs with added center points, all quadratic effects are estimable in models comprised of any number of linear and quadratic main effects terms.

6. Quadratic effects are orthogonal to main effects and not completely confounded (though correlated) with interaction effects.

7. If there are more than six factors, the designs are capable of efficiently estimating all possible full quadratic models involving three or fewer factors

Page 8: Everything You Wanted to Know About Definitive Screening Designs

Six factor DSD table.

6 factors and 13 runs.

Run A B C D E F

1 0 1 -1 -1 -1 -1

2 0 -1 1 1 1 1

3 1 0 -1 1 1 -1

4 -1 0 1 -1 -1 1

5 -1 -1 0 1 -1 -1

6 1 1 0 -1 1 1

7 -1 1 1 0 1 -1

8 1 -1 -1 0 -1 1

9 1 -1 1 -1 0 -1

10 -1 1 -1 1 0 1

11 1 1 1 1 -1 0

12 -1 -1 -1 -1 1 0

13 0 0 0 0 0 0

Page 9: Everything You Wanted to Know About Definitive Screening Designs

DSD structure – 1

Run A B C D E F

1 0 1 -1 -1 -1 -1

2 0 -1 1 1 1 1

3 1 0 -1 1 1 -1

4 -1 0 1 -1 -1 1

5 -1 -1 0 1 -1 -1

6 1 1 0 -1 1 1

7 -1 1 1 0 1 -1

8 1 -1 -1 0 -1 1

9 1 -1 1 -1 0 -1

10 -1 1 -1 1 0 1

11 1 1 1 1 -1 0

12 -1 -1 -1 -1 1 0

13 0 0 0 0 0 0

Six fold-over

pairs

Page 10: Everything You Wanted to Know About Definitive Screening Designs

DSD structure – 2

Run A B C D E F

1 0 1 -1 -1 -1 -1

2 0 -1 1 1 1 1

3 1 0 -1 1 1 -1

4 -1 0 1 -1 -1 1

5 -1 -1 0 1 -1 -1

6 1 1 0 -1 1 1

7 -1 1 1 0 1 -1

8 1 -1 -1 0 -1 1

9 1 -1 1 -1 0 -1

10 -1 1 -1 1 0 1

11 1 1 1 1 -1 0

12 -1 -1 -1 -1 1 0

13 0 0 0 0 0 0

Center value in

each row

Page 11: Everything You Wanted to Know About Definitive Screening Designs

DSD structure – 3

Run A B C D E F

1 0 1 -1 -1 -1 -1

2 0 -1 1 1 1 1

3 1 0 -1 1 1 -1

4 -1 0 1 -1 -1 1

5 -1 -1 0 1 -1 -1

6 1 1 0 -1 1 1

7 -1 1 1 0 1 -1

8 1 -1 -1 0 -1 1

9 1 -1 1 -1 0 -1

10 -1 1 -1 1 0 1

11 1 1 1 1 -1 0

12 -1 -1 -1 -1 1 0

13 0 0 0 0 0 0One overall

center run.

Page 12: Everything You Wanted to Know About Definitive Screening Designs

How do you make a DSD?

DSDs are constructed using conference matrices

What is a conference matrix?

An mxm square matrix C with 0 diagonal and +1 or -1 off diagonal elements so that:

CTC (m 1)Imm

Page 13: Everything You Wanted to Know About Definitive Screening Designs

Sample Conference Matrix

Page 14: Everything You Wanted to Know About Definitive Screening Designs

For six factors the model of interest has 6 main effects and 15 interactions.

But n = 12, so we can only fit the intercept and the main effects:

Standard result: some main effects estimates are biased:

where the “alias” matrix is:

Screening Conundrum 1 – Two Models

14

Page 15: Everything You Wanted to Know About Definitive Screening Designs

Alias Matrices

For the DSD there is no aliasing between main effects and two-factor interactions.

The D-optimal design (AKA Plackett-Burman) with one added center point has

substantial aliasing of each main effect with a number of two-factor interactions.

Page 16: Everything You Wanted to Know About Definitive Screening Designs

Column Correlations for 6 factor DSD

0.25

0.5

0.4655

0.1333

0.0

Page 17: Everything You Wanted to Know About Definitive Screening Designs

Are there any trade-offs versus the D-optimal design with an added center run?

Confidence intervals for the main effects are a little less than 10% longer.

Page 18: Everything You Wanted to Know About Definitive Screening Designs

Screening Conundrum 2 – Confounding

Resolution IV designs confound two-factor interactions with each other.

So, if some two-factor interaction is large, you are left with ambiguity about which model is correct.

Page 19: Everything You Wanted to Know About Definitive Screening Designs

Correlation Cell Plot for 8 Factor Screening Design

AB is

confounded with

CE, DH & FG

AB FG r = 1

AB DH r = 1

AB CE r = 1

Page 20: Everything You Wanted to Know About Definitive Screening Designs

Correlation Cell Plot for 8 Factor DSD

|r| = 2/3

|r| = 1/6

r = 0

Page 21: Everything You Wanted to Know About Definitive Screening Designs

What if some factors are categorical?

Page 22: Everything You Wanted to Know About Definitive Screening Designs

DSD with categorical factors - construction

Change pairs of

zeros to different

levels

Page 23: Everything You Wanted to Know About Definitive Screening Designs

DSD with a 2-level categorical factor

|r| = 0.169

|r| = 0.68

|r| = 0.5

|r| = 0.25

Page 24: Everything You Wanted to Know About Definitive Screening Designs

What if you want to block a DSD?

In revision with Technometrics

Page 25: Everything You Wanted to Know About Definitive Screening Designs

Constructing Orthogonally Blocked DSDs

1. Create DSD in standard order

2. Create blocks from groups of fold-over pairs

3. If you have all continuous factors, add one center run per block to estimate quadratic effects

4. If you have categorical factors, add pairs of center runs to estimate quadratic effects*

* How many pairs do I need? Answer on next slide.

Page 26: Everything You Wanted to Know About Definitive Screening Designs

How many pairs?

1. Let n be the number of runs in the conference matrix, m be the number of continuous factors and b be the desired number of blocks.

2. Add b – (n – m) pairs of center runs

Page 27: Everything You Wanted to Know About Definitive Screening Designs

Table of Orthogonal Blocking Alternatives

Page 28: Everything You Wanted to Know About Definitive Screening Designs

Ideas for analysis of DSDs

Simplest idea – fit the main effects model.

The main effects are not biased so you can believe their magnitude. Unfortunately, if there are strong interaction or quadratic effects, the RMSE, which estimates s, will be inflated.

Page 29: Everything You Wanted to Know About Definitive Screening Designs

Idea #2 for Analysis

Use a version of stepwise regression

Model:

all main effects

all quadratic effects

all two-factor interactions

Page 30: Everything You Wanted to Know About Definitive Screening Designs

Idea #2 for Analysis

Procedure:

1. Enter all main effects

2. Add any large quadratic effect

3. Add any large two-factor interaction

4. Remove any main effect that is small and not featured in any 2nd order effect

5. Beware of models with more than n/2 terms because of possible over-fitting

Page 31: Everything You Wanted to Know About Definitive Screening Designs

Idea #3 for Analysis

Use a version of all subsets regression

Model:

all main effects

all quadratic effects

all two-factor interactions

n/2 - 1

Page 32: Everything You Wanted to Know About Definitive Screening Designs

Recapitulation – Definitive Screening Design

1. Orthogonal main effects plans.

2. Two-factor interactions are uncorrelated with main effects.

3. Quadratic effects are uncorrelated with main effects.

4. All quadratic effects are estimable.

5. The number of runs is only one more than twice the number of factors.

6. For six factors or more, the designs can estimate all possible full quadratic models involving three or fewer factors

Page 33: Everything You Wanted to Know About Definitive Screening Designs

References

1. Box, G. E. P. and J. S. Hunter (2008). The 2k−p fractional factorial designs. Technometrics 3, 449–458.

2. Goethals, J. and Seidel, J. (1967). ”Orthogonal matrices with zero diagonal”. Canadian Journal of Mathematics, 19, pp. 1001–1010.

3. Tsai, P. W., Gilmour, S. G., and R. Mead (2000). Projective three-level main effects designs robust to model uncertainty. Biometrika 87, 467–475.

4. Jones, B. and Nachtsheim, C. J. (2011) “Efficient Designs with Minimal Aliasing” Technometrics, 53. 62-71.

5. Jones, B and Nachtsheim, C. (2011) “A Class of Three-Level Designs for Definitive Screening in the Presence of Second-Order Effects” Journal of Quality Technology, 43. 1-15.