the design criteria with the Fine Tree suffering more with the
outliers as expressed by the larger variance compared to the
Wide ANN.
Tables 3 and 4 present the findings using the reduced
feature sets found in the Feature Extraction and RNT
Prediction section. The model with the smallest MAE is
emphasized in bold. With filtering down to 30 frequencies
instead of 700, the GPR and SVM were able to successfully
converge while the GPR surpasses the performance of the
ANNs. Using mRMR, the exponential GPR achieves an MAE
ME
|
RAILROADS
T A B L E 3
Machine learning algorithm sweep results for stress (MPa) using top 30 mRMR features
Model Type Mean absolute error Mean-squared error R2
Linear Linear 3.611 17.83 0.940
Linear Interactions 3.346 15.86 0.946
Linear Robust 3.542 17.95 0.939
Tree Fine 3.346 15.86 0.946
Tree Medium 2.624 17.10 0.942
Tree Coarse 2.701 16.77 0.943
SVM Linear 2.716 15.23 0.948
SVM Quadratic 3.606 18.07 0.939
SVM Cubic 2.946 12.85 0.957
SVM Fine Gaussian 2.781 11.43 0.961
SVM Medium Gaussian 2.230 9.11 0.969
SVM Coarse Gaussian 2.463 9.47 0.968
Ensemble Boosted trees 2.872 12.00 0.959
Ensemble Bagged trees 2.846 12.33 0.958
GPR Rational quadratic 2.512 13.58 0.954
GPR Squared exponential 2.544 9.996 0.966
GPR Matern 5/2 2.176 8.196 0.972
GPR Exponential 1.776 6.749 0.977
ANN Narrow 1.973 7.412 0.975
ANN Medium 2.553 10.35 0.965
ANN Wide 2.397 9.306 0.969
ANN Bilayered 2.146 8.153 0.972
ANN Trilayered 2.391 9.361 0.968
Kernel SVM kernel 2.338 9.229 0.969
Kernel Least-squares kernel 3.402 16.15 0.945
Note: Best is shown in red
0
0
5
10
15
–2 –4 –6 2 4
MAE: 1.08
MSE: 1.74
6
RNT error (°C)
0
0
5
10
15
–2 –4 –6 2 4
MAE: 1.41
MSE: 3.26
6
RNT error (°C)
Figure 10. Histogram of RNT
errors using predicted stresses
using all features: (a) Wide
ANN and (b) Fine Tree, one of
the worst-performing models.
The Wide ANN manages to
restrain much of the predictions
within the desired 2.78 °C
criteria, while the Fine Tree
suffers.
76
M A T E R I A L S E V A L U A T I O N • J A N U A R Y 2 0 2 4
2401 ME January.indd 76 12/20/23 8:01 AM
Number
of
observations
×
105
Number
of
observations
×
105
outliers as expressed by the larger variance compared to the
Wide ANN.
Tables 3 and 4 present the findings using the reduced
feature sets found in the Feature Extraction and RNT
Prediction section. The model with the smallest MAE is
emphasized in bold. With filtering down to 30 frequencies
instead of 700, the GPR and SVM were able to successfully
converge while the GPR surpasses the performance of the
ANNs. Using mRMR, the exponential GPR achieves an MAE
ME
|
RAILROADS
T A B L E 3
Machine learning algorithm sweep results for stress (MPa) using top 30 mRMR features
Model Type Mean absolute error Mean-squared error R2
Linear Linear 3.611 17.83 0.940
Linear Interactions 3.346 15.86 0.946
Linear Robust 3.542 17.95 0.939
Tree Fine 3.346 15.86 0.946
Tree Medium 2.624 17.10 0.942
Tree Coarse 2.701 16.77 0.943
SVM Linear 2.716 15.23 0.948
SVM Quadratic 3.606 18.07 0.939
SVM Cubic 2.946 12.85 0.957
SVM Fine Gaussian 2.781 11.43 0.961
SVM Medium Gaussian 2.230 9.11 0.969
SVM Coarse Gaussian 2.463 9.47 0.968
Ensemble Boosted trees 2.872 12.00 0.959
Ensemble Bagged trees 2.846 12.33 0.958
GPR Rational quadratic 2.512 13.58 0.954
GPR Squared exponential 2.544 9.996 0.966
GPR Matern 5/2 2.176 8.196 0.972
GPR Exponential 1.776 6.749 0.977
ANN Narrow 1.973 7.412 0.975
ANN Medium 2.553 10.35 0.965
ANN Wide 2.397 9.306 0.969
ANN Bilayered 2.146 8.153 0.972
ANN Trilayered 2.391 9.361 0.968
Kernel SVM kernel 2.338 9.229 0.969
Kernel Least-squares kernel 3.402 16.15 0.945
Note: Best is shown in red
0
0
5
10
15
–2 –4 –6 2 4
MAE: 1.08
MSE: 1.74
6
RNT error (°C)
0
0
5
10
15
–2 –4 –6 2 4
MAE: 1.41
MSE: 3.26
6
RNT error (°C)
Figure 10. Histogram of RNT
errors using predicted stresses
using all features: (a) Wide
ANN and (b) Fine Tree, one of
the worst-performing models.
The Wide ANN manages to
restrain much of the predictions
within the desired 2.78 °C
criteria, while the Fine Tree
suffers.
76
M A T E R I A L S E V A L U A T I O N • J A N U A R Y 2 0 2 4
2401 ME January.indd 76 12/20/23 8:01 AM
Number
of
observations
×
105
Number
of
observations
×
105