RSM Part1 Intro
RSM Part1 Intro
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Agenda Transition
Response Surface Methodology:
Screening
Known
Factors
Unknown
Factors
Trivial
many
Screening
Vital few
Characterization
Factor effects
and interactions
no
Curvature?
yes
Optimization
Response
Surface
Methods
Verification
Confirm?
Celebrate!
no
Backup
yes
Process
Region of Operability
Region of Interest
Responses
Empirical Models
(polynomials)
ANOVA
Contour Plots
Optimization
4
Region of Interest
versus Region of Operability
Use factorial design to
get close to the peak.
Then RSM to climb it.
Region of Interest
Region of Operability
5
Polynomial Approximations
A decent approximation of any mathematical function can be made via an
infinite series of powers of X, such as that proposed by Taylor. For RSM,
this takes the form:
Maximum
4.00
95
2.00
75
B
M a x im u m
85
0.00
85
65
80
75
70
65
-2.00
4.00
4.00
2.00
2.00
0.00
0.00
-2.00
-2.00
-4.00 -4.00
-4.00
-4.00
-2.00
0.00
2.00
4.00
Rising Ridge
Rising Ridge
4.00
95
85
2.00
85
75
80
B
R is in g R id g e
90
65
65
0.00
65
75
-2.00
4.00
70
4.00
2.00
2.00
0.00
0.00
-2.00
-2.00
-4.00 -4.00
-4.00
-4.00
-2.00
0.00
2.00
4.00
Stationary Ridge
Stationary Ridge
4.00
85
2.00
75
B
S t a t io n a r y R id g e
95
65 75 80 85
70
0.00
65
70
80 75
85
65
-2.00
4.00
4.00
2.00
2.00
0.00
0.00
-2.00
-2.00
-4.00 -4.00
-4.00
-4.00
-2.00
0.00
2.00
4.00
Saddle, or MiniMax
Saddle
4.00
115
155
105
140
95
125
85
95
65
75
75
65
80
S a d d le
2.00
110
85
0.00
65
95
105
-2.00
115
4.00
4.00
2.00
0.00
125
2.00
135
145
0.00
-2.00
-2.00
-4.00 -4.00
-4.00
-4.00
-2.00
0.00
2.00
4.00
11
Agenda Transition
Response Surface Methodology:
Screening
Known
Factors
Unknown
Factors
Trivial
many
Screening
Vital few
Characterization
Factor effects
and interactions
no
Curvature?
yes
Optimization
Response
Surface
Methods
Verification
Confirm?
Celebrate!
no
Backup
yes
13
14
Axial (star)
points:
Center
points:
16
Structuring a CCD
Region of Interest
Keep axial
(star) runs
within the
circle.
This is the
region of
operability.
17
Agenda Transition
Response Surface Methodology:
Screening
Known
Factors
Unknown
Factors
Trivial
many
Screening
Vital few
Characterization
Factor effects
and interactions
no
Curvature?
yes
Optimization
Response
Surface
Methods
Verification
Confirm?
Celebrate!
no
Backup
yes
18
65
85
-0.025
0.375
0.05
0.2
The experimenters chose a CCD based on a one-half fraction for the cube portion
(25-1). This rotatable design (with = 2) has six center points.
19
Rsm section 3
20
Rsm section 3
21
Rsm section 3
22
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
Factor
Run
A:Heat
C / 30 min
9
25
3
19
4
29
22
18
11
31
2
23
13
30
7
12
70.0
80.0
70.0
80.0
70.0
80.0
70.0
80.0
70.0
80.0
70.0
80.0
70.0
80.0
70.0
80.0
Factor
B:pH
Factor
C:Redox
volt
Factor
D:Na ox
Molar
Factor
E:Na lau
% of soli
Response
Unde Pro
%
5.0
5.0
7.0
7.0
5.0
5.0
7.0
7.0
5.0
5.0
7.0
7.0
5.0
5.0
7.0
7.0
0.075
0.075
0.075
0.075
0.275
0.275
0.275
0.275
0.075
0.075
0.075
0.075
0.275
0.275
0.275
0.275
0.0125
0.0125
0.0125
0.0125
0.0125
0.0125
0.0125
0.0125
0.0375
0.0375
0.0375
0.0375
0.0375
0.0375
0.0375
0.0375
0.15
0.05
0.05
0.15
0.05
0.15
0.15
0.05
0.05
0.15
0.15
0.05
0.15
0.05
0.05
0.15
80.6
67.9
83.1
38.1
79.7
74.7
71.2
36.8
81.7
66.8
73.0
40.5
74.9
74.2
63.5
42.8
23
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
Factor
Run
A:Heat
C / 30 min
8
27
16
24
10
17
15
28
32
21
20
5
6
26
1
14
65.0
85.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
75.0
Factor
B:pH
Factor
C:Redox
volt
Factor
D:Na ox
Molar
Factor
E:Na lau
% of soli
Response
Unde Pro
%
6.0
6.0
4.0
8.0
6.0
6.0
6.0
6.0
6.0
6.0
6.0
6.0
6.0
6.0
6.0
6.0
0.175
0.175
0.175
0.175
-0.025
0.375
0.175
0.175
0.175
0.175
0.175
0.175
0.175
0.175
0.175
0.175
0.0250
0.0250
0.0250
0.0250
0.0250
0.0250
0.0000
0.0500
0.0250
0.0250
0.0250
0.0250
0.0250
0.0250
0.0250
0.0250
0.10
0.10
0.10
0.10
0.10
0.10
0.10
0.10
0.00
0.20
0.10
0.10
0.10
0.10
0.10
0.10
80.9
42.4
73.4
45.0
66.0
71.7
77.5
76.3
67.4
86.5
77.4
74.6
79.8
78.3
74.8
80.9
24
Case Study
25
F
Value
Prob > F
9.77
1.00
10.88
6.64
< 0.0001
0.4848
0.0006
0.0196
Suggested
Aliased
"Sequential Model Sum of Squares": Select the highest order polynomial where the
additional terms are significant.
26
Sum of
Squares
2268.60
1385.30
205.46
3.42
33.09
DF
21
11
6
1
5
Mean
Square
108.03
125.94
34.24
3.42
6.62
F
Value
16.32
19.03
5.17
0.52
Prob > F
0.0029
0.0022
0.0459
0.5044
Suggested
Aliased
"Lack of Fit Tests": Want the selected model to have insignificant lack-of-fit.
27
Suggested
Aliased
28
DF
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
MS
2458.35
1807.87
0.26
12.18
45.10
506.85
667.23
162.93
3.48
3.23
616.28
122.66
50.06
7.98
45.23
1.05
3.71
0.031
36.30
0.016
F
113.36
83.36
0.012
0.56
2.08
23.37
30.77
7.51
0.16
0.15
28.42
5.66
2.31
0.37
2.09
0.048
0.17
1.412E-003
1.67
7.205E-004
Prob > F
< 0.0001
< 0.0001
0.9147
0.4693
0.1771
0.0005
0.0002
0.0192
0.6965
0.7069
0.0002
0.0366
0.1569
0.5564
0.1766
0.8298
0.6873
0.9707
0.2222
0.9791
29
Backward Selection
1. Begin with the full model.
2. Remove from the model the factor with the smallest F value.
3. Stop when the p-value of the next factor out satisfies the
specified alpha value criterion.
30
31
Hierarchical Models*
Y E S!
32
Prob > F
< 0.0001
0.0459
Prob > F
< 0.0001
0.1297
33
R-Squared
Adj R-Squared
Pred R-Squared
Adeq. Precision
0.9640
0.8985
0.1632
11.789
R-Squared
Adj R-Squared
Pred R-Squared
Adeq Precision
0.9557
0.9276
0.8589
17.589
Benefits are clear for using the reduced model for this response.
34
Case Study
35
36
Std. Dev.
Mean
C.V.
PRESS
Constant: 0.000
0.066
0.64
10.28
R-Squared
Adj R-Squared
Pred R-Squared
0.20
Adeq Precision
0.8182
0.7652
0.6544
18.865
37
Case Study
38
39
Std. Dev.
Mean
C.V.
0.12
1.00
12.34
R-Squared
Adj R-Squared
Pred R-Squared
PRESS
0.73
Adeq Precision
Constant: 0.000
0.7001
0.6127
0.3933
12.609
40
41
42
Agenda Transition
Multiple Response Optimization:
Whey protein case study
(optimization)
Screening
Known
Factors
Unknown
Factors
Trivial
many
Screening
Vital few
Characterization
Factor effects
and interactions
no
Curvature?
yes
Optimization
Response
Surface
Methods
Verification
Confirm?
Celebrate!
no
Backup
yes
43
Simultaneous Optimization
of Multiple Responses
1. Analyze each response separately and establish an appropriate
transformation and model for each.
2. Optimize using the models to search the independent factor
space for a region that simultaneously satisfies the
requirements placed on the responses.
44
45
Mean
Value
F
Prob > F
12
527.64
34.12
< 0.0001
293.83
19
15.46
Lack of Fit
260.73
14
18.62
2.81
0.1297
Pure Error
33.09
6.62
6625.46
31
Source
Model
Residual
Cor. Total
Std. Dev.
Squares
Sum of
DF
6331.63
3.93
R-Squared
0.9557
68.83
Adj R-Squared
0.9276
C.V. %
5.71
Pred R-Squared
0.8589
PRESS
934.73
Adeq Precision
17.589
Mean
46
Constant: 0.000
Sum of
DF
7
Square
0.067
0.10
24
4.333E-003
Lack of Fit
0.093
19
4.905E-003
Pure Error
0.011
2.161E-003
31
Source
Model
Residual
Std. Dev.
Mean
Value
15.43
F
Prob > F
< 0.0001
2.27
0.1854
0.066
R-Squared
0.8182
Mean
0.64
Adj R-Squared
0.7652
C.V.
10.28
Pred R-Squared
0.6544
0.20
Adeq Precision
18.865
PRESS
47
Constant: 0.000
Sum of
DF
7
Square
0.12
0.36
24
0.015
0.35
19
0.019
1.590E-003
Source
Model
Residual
Lack of Fit
Cor Total
1.21
Mean
Value
8.01
F
Prob > F
< 0.0001
11.72
0.0063
31
Std. Dev.
0.12
R-Squared
0.7001
Mean
1.00
Adj R-Squared
0.6127
C.V.
12.34
Pred R-Squared
0.3933
0.73
Adeq Precision
12.609
PRESS
48
D d1 d2 ... dn
1
n
di
i 1
n
1
n
49
50
51
In this case:
Undenatured protein is most important, + + + + +.
Whip time is least important, + +.
Time at first drop, this is of intermediate importance, + + +.
52
+++++
53
54
55
Solutions
#
Y2
Y3
0.15
82.948 3.3895
12.7
0.217
0.04
0.15
82.917 3.3842
12.7
0.217
0.14
0.04
0.15
82.924 3.3902
12.6
0.214
6.15
0.17
0.04
0.15
82.852 3.3890
12.7
0.214
6.17
0.16
0.04
0.14
82.921 3.3925
12.5
0.212
1 70.00
6.23
0.15
0.04
2 70.00
6.24
0.15
3 70.00
6.26
4 70.00
5 70.00
Factor
A
B
C
D
E
Name
Heating
pH
Redox pot
Na oxalate
Na lauryl
Y1
Response
Y1
Y2
Y3
Name
Undenatured Protein
Whip time
Time at first drop
56
57
58
59
61