De-omposition
Anymatrix
X ∈ R n × p
denesalinearmapR p → R n
viaw 7→ Xw
. Thesingularvaluedeompositionof
X
isarepresentationofthis mapintermsoforthonormal basis vetors forbothR p
andR n
suhthat the mapdened byX
isassimple aspossible.
Proposition A.7 (SingularValue Deomposition). For any matrix
X ∈ R n × p
, there is an orthonormal basisu 1 , . . . u p
ofR p
and a set of orthonormal vetorsv 1 , . . . , v p ∈ R n
suh thatXu i = σ i v i , σ i ≥ 0 .
The quantities
σ i
are alled the singular values ofX
and are numbered inde-reasingorder. In matrix notation, we have
X = V Σ U t
(A.8)with
V t V = I p
andU t U = I p .
It follows immediatelythatthe rankof
X
equalsthe numberofnonzero singularvalues (ounted with multipliities). We note that
V
is a basis of the olumnspae of
X
andU
is a basis of the row spae ofX
. We an extend the vetorsv i
toan orthonormalbasis ofR n
.Denition A.8. A vetor
u ∈ R p \ { 0 }
is alled an eigenvetor of a quadratimatrix
A ∈ R p × p
if there is a salarλ ∈ R
suh thatAu = λu
. We allλ
aneigenvalue of
A
.The eigendeomposition of
A
is a representation of the formA = U Λ U − 1 .
For some matries, there is no eigendeomposition. If
A
is however symmetri,we have anorthogonal eigendeomposition
A = U Λ U t , U t U = I p .
The eigenvetors of a symmetri matrix an be omputed with the help of the
so-alledpowermethod.
Algorithm A.9 (Power method). For a symmetri matrix
A
and an initialvetor
b 0
, the power method omputes iterativelye b k+1 = Ab k
matrix multipliationb k+1 = 1
k
eb k+1 k e b k+1
normalizationThe power algorithm onverges to the eigenvetor
u
for whih theorrespond-ingeigenvalue has the greatest absolutevalue, if this eigenvalue is dominant (in
absoluteterms)and ifthe startingvetor
b 0
isnot orthogonalonthe eigenvetoru
.A.4 Projetions
Letusonsider ageneralHibertspae
V
. ForasubspaeU
andanyvetorv ∈ V
,we denethe following optimizationproblem:
arg
min k v − u k ,
subjet to
u ∈ U .
As we assume that
V
is a Hilbert spae, the solution exists ifU
is a losedsub-spae. We all the unique solution the (orthogonal) projetion of
v
ontoU
anddenoteit by
P U v
.If
U
is nite-dimensional, we an give a short representation of the projetion operator. Denote byU = (u 1 , . . . , u k )
any set of vetors that generate thesubspae
U
. For any other setV = (v 1 , . . . , v l )
of vetors we dene thek × l
matrix
h U , V i = ( h u i , v j i ) .
Furthermore,we dene the (symboli) multipliationof
U
with a vetorα ∈ R k
as
U α = X k
i=1
α i u i .
The projetion mapis then
P U v = U ( h U , U i ) − h U , v i .
(A.9)Wenow listsome properties of projetion operators.
Proposition A.10. Denote by
P U
the projetion onto the subspaeU
.1.
P U
isa symmetri map.2. The projetion operator is idempotent,
P U 2 ≡ P U
.3. If thespae
U ⊥
thatis orthogonal onU
isalosed subspae, then(Id V − P )
is the projetion onto that spae.
4. If
V
is nite-dimensional andP U
an be represented by a matrixP
, thentrae
(P ) = dim U
.In Chapter 4, we need the rst derivative of a projetion operator. We now
present this result. Let us assume that both vetors
v = v(y), z = z(y) ∈ R n
depend ona vetor
y
. The projetion ofz
ontov
isdened as (see (A.9))P v z = v v t v − 1
v t z .
For any funtion
f
that depends ony
, we usedf = df (y)
as a shortut. Usingproposition A.5,wehave
d ( P v z) = d
v v t v − 1
v t z
= (dv) v t v − 1
v t z + v
d v t v − 1
v t z + v v t v − 1
d v t z
= (dv) v t v − 1
v t z − v v t v − 1
d v t v
v t v − 1
v t z +v v t v − 1
d v t
z + v t dz
= (dv) v t v − 1
v t z − v v t v − 1
d v t
v v t v − 1
v t z
− v v t v − 1
v t dv v t v − 1
v t z + v v t v − 1
d v t
z + v v t v − 1
v t dz
= (dv) v t v − 1
v t z − v v t v − 1
d v t
P v z − P v dv v t v − 1
v t z +v v t v − 1
d v t
z + P v dz
= (dv) v t v − 1
v t z − v v t v − 1
d (v) t P v z − P v dv v t v − 1
v t z +v v t v − 1
d (v) t z + P v dz
Using(A.2), this isequivalent tothe following. For all
h ∈ R n
,(d ( P v z)) h = ((dv) h) v t v − 1
v t z − v v t v − 1
(d (v) h) t P v z
−P v (dvh) v t v − 1
v t z + v v t v − 1
(d (v) h) t z + P v dzh .
This an be further simplied by fatoring out the expression
(v t v) − 1
andrear-rangingsome terms. We obtain
(d ( P v z)) h = 1 v t v
v t z ((dv) h) − vz t P v t ((dv) h) − v t z P v ((dv) h) + vz t ((dv) h)
+ P v dzh
= 1
v t v
v t z − vz t P v − v t z P v + vz t
((dv) h) + P v dzh .
Finally,we use the denition of the rst derivative A.1 and obtain the following
result.
Proposition A.11. The rst derivate of the projetion operator is
∂ P v z
∂y = 1
v t v
vz t (I − P v ) + v t z (I − P v ) ∂v
∂y + P z ∂z
∂y .
A.5 The Moore-Penrose Inverse
The ontents of this setion an befound e.g. in Kokelkorn (2000). If amatrix
A
is not quadrati oris not of full rank, we have tond a suitablesurrogate foritsinverse. In this work,we use the Moore-Penrose inverse.
Proposition A.12 (Moore-PenroseInverse). For any matrix
A ∈ R p × l
, there is
a unique matrix
A − ∈ R l × p
suh that
A = AA − A , A − = A − AA − , AA − t
= AA − , A − A t
= A − A .
Proposition A.13. If
A
is a symmetri matrix with eigendeompositionA = U Λ U t ,
the Moore-Penrose inverse of
A
is dened in the followingway. SetΛ −
ij =
0 i 6 = j
1
λ i i = j
andλ i 6 = 0 0 i = j
andλ i = 0 .
Then
A − = U Λ − U t .
Proof. It follows readily fromthe deniton of
Λ −
thatΛΛ − = Λ − Λ =
diag( 1, . . . , 1
| {z }
rk
(A) −
times, 0, . . . , 0) .
This impliesthat
Λ −
isindeedthe Moore-Penrose inverse ofΛ
,asthe properties in proposition A.12are fullled. It follows thatAU Λ − U t A = U ΛΛ − Λ U t = U Λ U t = A
and
U Λ − U t AU Λ − U t = U Λ − ΛΛ − U t = U Λ − U t .
Finally,we remark that the matrix
AU Λ − U t = U Λ − U t A = U
diag(1, . . . , 1, 0, . . . , 0)U t
issymmetri.
Proposition A.14. The system of linear equations
Ax = b
has asolution if and onlyif
x ∗ = A − b
isa solution. Any solution of these linearequations has the form
x = x ∗ + I − A − A v
for any vetor
v
. The two omponents ofx
are orthogonal.Results of the Simulation Study
We display the results of the simulation study that is desribed in Setion 7.3.
Thefollowingtables show theMSE-RATIO for
β b
aswellasfory b
. In additiontotheMSE-RATIO,wedisplaytheoptimalnumberofomponentsforeahmethod.
Itisinterestingtosee thatthetwoquantitiesarethesamealmostallofthetimes.
ollinearity no no no med. med. med. high high high
stnr 1 3 7 1 3 7 1 2 7
1 0.833 0.861 0.676 0.958 1.000 0.993 1.000 0.999 1.000
2 0.980 0.976 0.975 0.995 0.938 0.864 0.847 0.965 0.866
3 1.000 0.993 1.001 0.969 0.960 0.993 0.954 0.980 0.967
4 1.000 1.001 0.999 0.988 1.000 1.002 0.997 0.993 0.992
m opt P LS
2 5 2 2 4 3 1 2 5m opt T RN
2 5 2 2 4 3 1 2 5Table B.1: MSE-RATIOof
β b
forp = 5
. The rsttworows display the settingofthe parameters. The rows entitled 1-4 display the MSE ratio for the respetive
number of omponents.
ollinearity no no no med. med. med. high high high
stnr 1 3 7 1 3 7 1 2 7
1 0.775 0.780 0.570 0.919 1.000 0.970 1.004 0.995 0.999
2 0.978 0.972 0.9697 0.994 0.882 0.786 0.828 0.951 0.823
3 1.001 0.990 1.001 0.969 0.967 0.992 0.960 0.977 0.973
4 1.000 1.001 0.999 0.990 1.000 1.001 0.997 0.996 0.993
m opt P LS
3 5 3 2 4 4 1 2 5m opt T RN
2 5 2 2 4 4 1 2 3Table B.2: MSE-RATIOof
y b
forp = 5
.ollinearity no no no med. med. med. high high high
stnr 1 3 7 1 3 7 1 2 7
1 0.929 0.963 0.972 0.98 0.998 0.989 1.000 1.000 1.000
2 0.938 0.959 0.977 0.922 0.91 0.978 0.789 0.793 0.792
3 0.907 0.952 0.981 0.875 0.91 0.945 0.849 0.843 0.849
4 0.905 0.933 0.971 0.879 0.913 0.912 0.857 0.864 0.868
5 0.901 0.942 0.954 0.879 0.924 0.898 0.870 0.883 0.879
6 0.898 0.942 0.945 0.878 0.915 0.891 0.882 0.890 0.893
7 0.892 0.926 0.949 0.887 0.906 0.891 0.891 0.895 0.898
8 0.899 0.926 0.956 0.892 0.904 0.895 0.897 0.897 0.903
9 0.908 0.933 0.955 0.897 0.910 0.895 0.903 0.902 0.904
10 0.913 0.938 0.951 0.900 0.916 0.898 0.902 0.899 0.901
11 0.913 0.937 0.947 0.902 0.919 0.907 0.906 0.901 0.902
12 0.917 0.931 0.944 0.909 0.919 0.917 0.908 0.904 0.906
13 0.924 0.932 0.946 0.919 0.92 0.925 0.913 0.907 0.914
14 0.933 0.939 0.946 0.927 0.917 0.936 0.921 0.911 0.922
15 0.94 0.945 0.95 0.933 0.916 0.936 0.928 0.916 0.931
16 0.949 0.945 0.951 0.935 0.918 0.941 0.938 0.922 0.936
17 0.956 0.945 0.954 0.939 0.922 0.945 0.944 0.926 0.936
18 0.961 0.944 0.959 0.943 0.931 0.95 0.946 0.930 0.935
19 0.968 0.946 0.964 0.946 0.934 0.958 0.953 0.939 0.936
20 0.973 0.951 0.973 0.949 0.935 0.962 0.961 0.947 0.939
21 0.977 0.958 0.977 0.954 0.936 0.966 0.968 0.955 0.943
22 0.98 0.965 0.981 0.961 0.94 0.973 0.972 0.962 0.948
23 0.984 0.97 0.984 0.968 0.945 0.98 0.976 0.967 0.950
24 0.987 0.976 0.988 0.975 0.948 0.983 0.98 0.970 0.953
25 0.989 0.98 0.99 0.978 0.953 0.987 0.981 0.973 0.959
26 0.992 0.985 0.993 0.982 0.959 0.991 0.984 0.977 0.966
27 0.994 0.989 0.996 0.986 0.966 0.992 0.987 0.981 0.975
28 0.995 0.991 0.997 0.988 0.973 0.994 0.99 0.985 0.984
29 0.996 0.993 0.998 0.99 0.978 0.995 0.993 0.988 0.988
30 0.997 0.994 0.999 0.992 0.982 0.996 0.995 0.991 0.99
31 0.998 0.995 0.999 0.994 0.985 0.997 0.996 0.992 0.993
32 0.998 0.996 0.999 0.996 0.99 0.998 0.996 0.994 0.995
33 0.999 0.997 1.000 0.996 0.991 0.999 0.997 0.995 0.996
34 0.999 0.998 1.000 0.997 0.993 0.999 0.998 0.996 0.997
35 0.999 0.999 1.000 0.999 0.994 0.999 0.998 0.997 0.998
36 1.000 1.000 1.000 0.999 0.996 0.999 0.999 0.998 0.998
37 1.000 1.000 1.000 0.999 0.998 1.000 0.999 0.998 0.999
38 1.000 1.000 1.000 1.000 0.999 1.000 0.999 0.999 0.999
39 1.000 1.000 1.000 1.000 0.999 1.000 1.000 0.999 1.000
m opt P LS
1 3 5 1 2 2 1 1 1m opt T RN
1 3 5 1 2 2 1 1 1Table B.3: MSE-RATIO of
β b
forp = 40
.ollinearity no no no med. med. med. high high high
stnr 1 3 7 1 3 7 1 2 7
1 0.781 0.797 0.791 0.877 0.983 0.924 1.013 1.004 1.001
2 0.870 0.857 0.853 0.785 0.702 0.868 0.673 0.684 0.680
3 0.853 0.899 0.914 0.776 0.818 0.853 0.778 0.772 0.778
4 0.874 0.891 0.896 0.818 0.836 0.838 0.81 0.818 0.822
5 0.889 0.92 0.893 0.839 0.891 0.846 0.835 0.855 0.856
6 0.898 0.942 0.921 0.844 0.884 0.859 0.862 0.881 0.881
7 0.897 0.938 0.929 0.876 0.902 0.88 0.886 0.898 0.898
8 0.923 0.941 0.943 0.886 0.898 0.896 0.9 0.906 0.914
9 0.924 0.944 0.960 0.904 0.916 0.901 0.915 0.92 0.917
10 0.935 0.958 0.961 0.913 0.93 0.915 0.915 0.914 0.921
11 0.943 0.967 0.959 0.922 0.937 0.916 0.924 0.92 0.927
12 0.954 0.967 0.958 0.929 0.942 0.938 0.932 0.926 0.931
13 0.959 0.967 0.965 0.941 0.95 0.942 0.939 0.933 0.937
14 0.961 0.961 0.966 0.948 0.949 0.954 0.947 0.942 0.942
15 0.97 0.969 0.977 0.954 0.953 0.96 0.953 0.948 0.949
16 0.975 0.971 0.976 0.964 0.962 0.967 0.961 0.954 0.957
17 0.979 0.976 0.983 0.968 0.962 0.974 0.967 0.957 0.957
18 0.982 0.981 0.985 0.972 0.966 0.979 0.968 0.960 0.966
19 0.986 0.985 0.988 0.976 0.969 0.980 0.974 0.965 0.970
20 0.989 0.987 0.991 0.977 0.970 0.983 0.979 0.972 0.974
21 0.991 0.99 0.992 0.980 0.973 0.985 0.984 0.977 0.978
22 0.993 0.99 0.994 0.984 0.979 0.988 0.988 0.982 0.981
23 0.995 0.992 0.996 0.987 0.98 0.991 0.990 0.986 0.983
24 0.996 0.993 0.997 0.989 0.982 0.993 0.992 0.987 0.984
25 0.996 0.995 0.997 0.99 0.983 0.994 0.993 0.989 0.985
26 0.997 0.996 0.998 0.992 0.986 0.996 0.994 0.991 0.987
27 0.998 0.997 0.999 0.994 0.990 0.997 0.995 0.993 0.989
28 0.999 0.997 0.999 0.995 0.991 0.998 0.996 0.994 0.991
29 0.999 0.998 0.999 0.996 0.992 0.998 0.997 0.996 0.994
30 0.999 0.999 1.000 0.997 0.993 0.999 0.998 0.997 0.994
31 0.999 0.999 1.000 0.998 0.994 0.999 0.998 0.997 0.996
32 0.999 0.999 1.000 0.998 0.995 0.999 0.999 0.998 0.997
33 1.000 0.999 1.000 0.998 0.996 0.999 0.999 0.998 0.998
34 1.000 0.999 1.000 0.999 0.997 1.000 0.999 0.999 0.998
35 1.000 1.000 1.000 0.999 0.998 1.000 0.999 0.999 0.999
36 1.000 1.000 1.000 0.999 0.998 1.000 1.000 0.999 0.999
37 1.000 1.000 1.000 1.000 0.998 1.000 1.000 0.999 0.999
38 1.000 1.000 1.000 1.000 0.999 1.000 1.000 0.999 1.000
39 1.000 1.000 1.000 1.000 0.999 1.000 1.000 1.000 1.000
m opt P LS
1 3 9 1 1 2 1 1 1m opt T RN
1 3 4 1 2 2 1 1 1Table B.4: MSE-RATIO of