CRANFIELD UNIVERSITY Eleni Anthippi Chatzimichali ...

Figure 3-12 Speedup produced by the different optimisation techniques .................... 78
Figure 4-1 Procrustes Analysis superimposition .......................................................... 82
Figure 4-2 Generalised Procrustes Analysis ................................................................. 84
Figure 4-3 Steps of CPCA for the datasets of case study 1 .......................................... 86
Figure 4-4 Data integration workflow .......................................................................... 90
Figure 4-5 The steps of GPA (shown in order from left to right) when applied on the
datasets of case study 1 ......................................................................................... 91
Figure 4-6 The consensus of the first two Principal Components based on the fusion of
all three experimental techniques of case study 1 using GPA and CPCA
respectively ........................................................................................................... 92
Figure 4-7 Overall accuracies (%CC) for the standalone datasets of case study 1 ...... 95
Figure 4-8 Classification Results for the integrated datasets of case study 1............... 96
Figure 4-9 Class prediction rates of the standalone (prior and after PCA) datasets for
case study 1 ......................................................................................................... 100
Figure 4-10 Class prediction rates of the integrated datasets for case study 1 ........... 101
Figure 4-11 Distribution plots of the permutation tests on the datasets of case study 1
using nonlinear (RBF) SVMs ............................................................................. 105
Figure 4-12 Distribution plots of the permutation tests on the data of case study 1
using PLS-DA .................................................................................................... 106
Figure 4-13 Superimposed density plots of the permutation tests on the datasets of
case study 1 using PLS-DA and nonlinear (RBF) SVMs ................................... 107
Figure 4-14 Boxplots representing the outcome of permutation testing when PLS-DA
and RBF SVMs are applied on the datasets of case study 1 .............................. 110
Figure 5-1 Mean FTIR spectra for case study 2 in the fingerprint region (1500-1000
cm -1 ) .................................................................................................................... 114
Figure 5-2 Mean FTIR spectra for case study 3 in the fingerprint region (1500-1000
cm -1 ) .................................................................................................................... 116
Figure 5-3 Mean Raman spectra for case study 3 in the range 200-3400 cm -1 .......... 117
Figure 5-4 Mean FTIR spectra for case study 4 in the fingerprint region (1500-1000
cm -1 ) .................................................................................................................... 119
Figure 5-5 PCA scores plots with 95% confidence ellipses for case study 2 ............. 123
Figure 5-6 The consensus of the first two Principal Components based on the fusion of
the two experimental techniques from case study 2 using GPA and CPCA
respectively ......................................................................................................... 124
Figure 5-7 Overall accuracies (%CC) for the standalone and integrated datasets of case
study 2 ................................................................................................................ 126
Figure 5-8 Class prediction rates of the standalone (prior and after PCA) and
integrated datasets for case study 2 .................................................................... 128
Figure 5-9 Distribution plots of the permutation tests on the datasets of case study 2
using RBF SVMs and PLS-DA respectively ...................................................... 130
Figure 5-10 Superimposed density plots of the permutation tests on the datasets of
case study 2 using PLS-DA and nonlinear (RBF) SVMs ................................... 131
Figure 5-11 Boxplots representing the outcome of permutation testing when RBF
SVMs and PLS-DA are applied on the datasets of case study 2 ........................ 133
Figure 5-12 Execution times of the permutation tests on the datasets of case study 2
............................................................................................................................ 134
Figure 5-13 PCA scores plots with 95% confidence ellipses for case study 3 ........... 136
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