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´
BY J. A. CUESTA-ALBERTOS, A. GORDALIZA AND C. MATRAN
Universidad de Cantabria, Universidad de Valladolid
and Universidad de Valladolid
A class of procedures based on ‘‘impartial trimming’’ Žself-determined
by the data. is introduced with the aim of robustifying k-means, hence the
associated clustering analysis. We include a detailed study of optimal
regions, showing that only nonpathological regions can arise from impar-
tial trimming procedures. The asymptotic results provided in the paper
focus on strong consistency of the suggested methods under widely gen-
eral conditions. A section is devoted to exploring the performance of the
procedure to detect anomalous data in simulated data sets.
Principal points w see, e.g., Tarpey, Li and Flury Ž1995.x is another recent
meaning of this concept in the population framework.
The motivation for this work lies in the fact that, although this formula-
tion is similar to that of obtaining k joint location M-estimators, robustness
properties behave very differently and quantizers based on typically robust
methods can be highly unsatisfactory. For instance, although the median of a
random variable may be considered a very robust centralization measure, the
HA F ž is1,inf. . . , k 5 X y m 5 / dP .
1
VFA Ž M . [
P Ž A. i
VFA Ž M . measures how well the set M represents the probability mass of P
living on A and our job is to choose the best representation to the ‘‘more
adequate’’ set containing a given amount of probability mass. This is done by
minimizing VFA Ž M . on A and M in the following way:
1. obtain the k-variation given A, Vk,A F , by minimizing in M:
Vk , F , a [ Vk , F , a Ž X . [ Vk , F , a Ž PX . [ inf VkA, F .
Ag b p
P Ž A .G1y a
VFA 0 Ž M0 . s Vk , F , a .
TRIMMED k-MEANS 555
and
½
d Ž C, D . s sup sup d Ž x , D . , sup d Ž y, C .
xgC ygD
5
Žnote that the last expression coincides with the Hausdorff distance between
bounded closed sets in R p , although in this paper we only use it to obtain
distances between sets of k elements..
For a g Ž0, 1., ta w ' ta Ž X .x denotes the nonempty set of trimming functions
for X of level a , that is,
½
ta s t : R p ª w 0, 1 x , measurable and H t Ž X . dP s 1 y a 5
556 ´
J. A. CUESTA-ALBERTOS, A. GORDALIZA AND C. MATRAN
and, tay denotes the set of trimming functions for level b F a , that is,
½
tays t : R p ª w 0, 1 x , measurable and H t Ž X . dP G 1 y a 5 s D t
bF a
b.
Note that the functions in ta Žresp. tay . are a natural generalization of the
indicator functions of sets which have probability a Žresp. at least a . ob-
tained by introducing the possibility of partial participation of the points in
the trimmings.
Now the problem stated in Section 1 can be generalized in a natural way:
let a g Ž0, 1., k a natural number and F a penalty function be given, and, for
every t g tay and every k-set M s m1 , m 2 , . . . , m k 4 in R p , let us consider
the variation about M given t :
1
VFt Ž M . [
H t Ž X . dP
H t Ž X . F Ž d Ž X , M . . dP .
Then:
t
1. obtain the k-variation given t , Bk, F , by minimizing in M:
F F Ž r . - `.
The following simple results provide the bases for our subsequent work.
Their proofs are related to those given in Gordaliza Ž1991a. and will be
omitted.
and let
rb Ž M . s inf r G 0: PX Ž B Ž M , r . . F 1 y b F PX Ž B Ž M , r . . 4
and
t M , b s t g tb : IBŽ M , rb Ž M .. F t F IBŽ M , rb Ž M .. , a.e. PX 4 ,
PROPOSITION 2.3. With the same notation as in Lemmas 2.1 and 2.2,
Vk , F , a s inf p VF , a Ž M . .
M;R
aMsk
REMARK 2.1. After Lemma 2.1 we know that the b-trimmed variation
about M is minimized by taking any trimming function in t M , b , that is,
essentially an indicator function of a ball centered at M.
REMARK 2.2. After Lemma 2.2 we know that in order to minimize the
a-trimmed variation about M, it is strictly better to trim the exact quantity
a , except in the case where all the probability mass of B Ž M, ra Ž M .. is
concentrated on the boundary.
REMARK 2.3. After Proposition 2.3 the problem stated in Ž1. can be
restated as follows: select a k-set M0 s m10 , . . . , m0k 4 ; R p such that
Ž 3. VF , a Ž M0 . s Vk , F , a .
558 ´
J. A. CUESTA-ALBERTOS, A. GORDALIZA AND C. MATRAN
1 k
s Ý
1 y a is1 A i 0
H
t Ž X . F Ž d Ž X , m0i . . dP .
inf
mgR p
HA t 0 Ž X . F Ž d Ž X , m . . dP .
i
1. The boundary does not lie at all in the optimal trimming set, that is,
PX w B Ž M0 , r 0 .x s 1 y a .
2. All the boundary lies in the optimal trimming set, that is, PX w B Ž M0 , r 0 .x
s 1 y a.
3. There exists x 0 g BdŽ B Ž M0 , r 0 .. such that all the probability mass of the
boundary is concentrated at x 0 , that is, PX w BdŽ bŽ M0 , r 0 ..x s PX w x 0 4x .
First, we will randomly generate a set of points which are divided into
three clusters and we will add a proportion b of anomalous points. This set
will be denoted by A. Then we will choose a g Ž0, 1.. According to our
procedure, we will delete a proportion a of points in A and we will divide the
remaining points into three groups in order to minimize the within-group
variance.
As stated, our analysis of the method is focused in two directions. First, in
the spirit of cluster analysis, we make a sensitivity study by exploring
different departures of what could be called the ideal model. Here our interest
relies on the capacity of the method to detect the anomalous data and to
divide the remaining ones in the original clusters.
Note that, from Corollary 3.2, it follows that relatively nearby clusters
could be badly detected if they are nonspherical or even if their shapes are too
different because, according to that corollary, every cluster obtained with our
method is spherical and all of them have the same radius. Therefore, the
ideal model would be one consisting of spherical, not too close, clusters.
Moreover, in that ideal model, the anomalous observations should appear
clearly separated from the nonanomalous ones.
Here we have chosen a sample of situations in which each requirement to
have an ideal model is violated. Moreover, all of them have in common that
many of the anomalous data are not so anomalous because the only restric-
tion we have imposed on them is that they are not allowed to be in the 75%
level confidence ellipsoids of the distributions generating the points in the
clusters.
More precisely, in every situation we have simulated three bivariate
normal distributions, N1 , N2 and N3 , with means at Ž0, 0., Ž0, 10. and Ž6, 0..
These means were chosen to avoid harmonizing effects which could appear if
we place the means on the vertices of an equilateral triangle. The anomalous
data were randomly generated from N4 , a bivariate normal centered at
Ž2, 10r3. Žthe mean of the means above. with a dispersion large enough to
produce both inner and outer contaminations. The points from N4 lying in
the 75% level confidence ellipsoids of N1 , N2 , or N3 were replaced by other
ones not belonging to that area. With this selection of contaminating data, we
wanted to produce an inner additional Žsmall. cluster, zones of uncertainty
and masking to render difficult a right classification, and even a clear bias
due to the greater proportion of anomalous data in the middle area. We fixed
the size of every cluster and the number of anomalous observations sepa-
rately.
Therefore, in every situation, the model is specified by Ž n1 , n 2 , n 3 , n 4 , S 1 ,
S 2 , S 3 , S 4 ., where n i is the sample size from the distribution Ni , and S i is
the covariance matrix of the distribution Ni , I s 1, 2, 3, 4. In order to improve
the final display, we have chosen moderate sample sizes. However, every time
we have chosen n 4 s 40 and S4 s 20Id, where Id denotes the identify matrix.
Thus, only the value of n1 , n 2 , n 3 , S 1 , S 2 and S 3 need to be specified.
The capability of the method, under reasonable deviations from homogene-
ity and sphericity of the right clusters, is shown in Figures 1]4. The figures
562 ´
J. A. CUESTA-ALBERTOS, A. GORDALIZA AND C. MATRAN
FIG. 1.
labeled Ža. correspond to the initial set of points, while the figures labeled
Žb.35., Žb.40. and Žb.45. show the results of our method for the different
trimming sizes which were chosen around the number of anomalous observa-
tions as 35, 40 and 45. In this figures the symbol ` denotes an anomalous
observation in the figures labeled Ža. or a trimmed observation in the figures
labeled Žb.. The symbols q, = and ) denote the initial clusters in the figures
labeled Ža. or the clusters suggested by our method in the figures labeled Žb..
The closest situation to the ideal model is shown in Figure 1. Here the
model is given by
FIG. 2.
FIG. 3.
S1 s ž 3
2
2
3/.
The results are summarized in Table 1, where we show, for every case and
every trimming size, the number of rightly trimmed data and the number of
mistakes Žwhere we include the incorrectly trimmed data, the data which
were incorrectly assigned to a cluster and those anomalous observations
which were not trimmed.. Note that the number of incorrectly trimmed data
is necessarily grater than or equal to 5 when trimming 45 points because
TRIMMED k-MEANS 565
FIG. 4.
TABLE 1
Case 1 33 9 35 10 35 15
Case 2 30 19 34 16 37 15
Case 3 26 23 30 21 33 20
Case 4 27 24 32 19 35 18
566 ´
J. A. CUESTA-ALBERTOS, A. GORDALIZA AND C. MATRAN
TABLE 2
Vector of k-means
Case Cluster 1 Cluster 2 Cluster 3 Distance Order
That is, we are allowed to delete up to three points in A, and then to split
the remaining points into two groups and to compute the within-group
variance. The goal is to minimize this quantity.
It is obvious that the optimal points to trim are 20, 23 and 26 and that the
associated 2-mean is y2, 24 . Now let us contaminate A by replacing the
point y3 by y100. Then it happens that the points to trim are again 20, 23
and 26, but now the associated 2-mean is y100, 0.64 . Thus the trimming
procedure, when applied to A, has a breakdown point which is less than or
equal to 1r9. Moreover, it is clear that, by modifying the set A, we would
have that for every a , k and F there exists a probability P such that the
breakdown point of the a-trimmed k-mean of P is as close to 0 as desired.
A careful look at this example shows that the cause of this behavior of the
2-mean procedure when applied to the uniform probability on A is that, if we
are looking for just two clusters, then the set A already contains 1r3 of
anomalous points Žindependently of when those points constitute or do not
constitute a new cluster.. Therefore, it seems that for probabilities Q, sup-
ported by a set which is divided into exactly k clusters with respective
probabilities q1 , q2 , . . . , qk , the breakdown point of the a-trimmed k-mean of
Q is, at most, inf a , q1 , . . . , qk 4 independently of F. Of course, this fact is
more apparent when we use other methods like the ‘‘two joint medians’’
example in the Introduction, which is clearly unstable in every circumstance.
In other words, the breakdown point generally depends, of course, on the
procedure, but it also depends heavily on the data, in the sense that the same
procedure can be highly stable with reasonable clusterized data when consid-
ering the right number of clusters, but it can also be very unstable in other
cases. This is in some way natural and clearly related to the traditional key
problem in cluster analysis: how to choose the number of clusters to look for?
As an added conclusion, from our point of view, the analysis of robustness
of the cluster analysis procedures needs some fit of the available theory to
analyze problems like the previous one.
An extreme case which naturally arises from our study is that of the
trimmed k-means associated with the L` -criterion, the so-called trimmed
k-nets. This case is quite different from the one treated here and we have
studied it in a separate paper w Cuesta-Albertos, Gordaliza and Matran ´ Ž1996.x .
To give a hint to the difference between k-nets and k-means may be
enough to say that the strong consistency of trimmed k-nets does not
generally hold if the level of trimming in the sampling remains constant. In
fact, in order to get consistency, we need suitable sizes of trimming that vary
with the size of the sample.
APPENDIX
We begin with two results of a different scope. The first one shows the
continuity of the trimmed variation VF , a Ž M . with respect to M, and the
second one shows the natural fact that the trimmed variation is strictly
improved by increasing the number of clusters. Both results are needed in the
proof of the existence of trimmed k-means.
TRIMMED k-MEANS 569
Ž 1 y a . Dn s H tn Ž X . F Ž d Ž X , Mn . . dP y H t 0 Ž X . F Ž d Ž X , M0 . . dP
F H t Ž X . Ž FŽ dŽ X , M
n n . . y F Ž d Ž X , M0 . . . dP
q H Žt Ž X . y t
n 0 Ž X . . F Ž d Ž X , M0 . . dP
\ DnŽ1. q DnŽ2. .
Notice now that dŽ X, Mn . y dŽ X, M0 . ª 0 as n ª ` and that F is uni-
formly continuous on every compact set, so that we have
DnŽ1. F H t Ž X . <FŽ dŽ X , M
n n . . y F Ž d Ž X , M0 . . < dP
F Ž1 y a . ž sup
xgB Ž M n , r n .
< F Ž d Ž x , Mn . . y F Ž d Ž x , M0 . . < /
ª 0 as n ª `.
In order to prove that also DnŽ2. ª 0 as n ª `, let us denote
En [ x g R p : t n Ž x . ) t 0 Ž x . 4
and
Fn [ x g R p : tn Ž x . - t 0 Ž x . 4 .
We have
0s H Žt Ž x . y t
n 0 Ž x . . dPX
Ž 4.
s HE Ž tn Ž x . y t 0 Ž x . . dPX q H Ž tn Ž x . y t 0 Ž x . . dPX
Fn
n
and therefore
HE Ž tn Ž x . y t 0 Ž x . . dPx s H Ž t 0 Ž x . y tn Ž x . . dPx .
Fn
n
F Ž d Ž x , M0 . . G F Ž d Ž x , Mn . y d Ž Mn , M0 . .
Ž 6.
G F Ž rn y d Ž Mn , M0 . . ,
because En ; B c Ž M0 , r 0 . l B Ž Mn , rn . and Fn ; B Ž M0 , r 0 . l B c Ž Mn , rn .. On
the other hand, by the definition of t 0 ,
H Žt Ž X . y t Ž X . . F Ž d Ž X , M
n 0 . . dP G 0,
so that we have
DnŽ2. s H Žt Ž X . y t
n 0 Ž X . . F Ž d Ž X , M0 . . dP
s HE Ž tn Ž X . y t 0 Ž X . . F Ž d Ž X , M0 . . dP
n
y HF Ž t 0 Ž X . y tn Ž X . . F Ž d Ž X , M0 . . dP
n
F F Ž rn q d Ž Mn , M0 . . HE Ž tn Ž X . y t 0 Ž X . . dP
n
y F Ž rn y d Ž Mn , M0 . . HF Ž t 0 Ž X . y tn Ž X . . dP
n
F F Ž rn q d Ž Mn , M0 . . y F Ž rn y d Ž Mn , M0 . . ª 0 as n ª `. I
Ža. VF , a Ž M . ) 0;
Žb. there exists m 0 g R p such that VF , a Ž M j m 0 4. - VF , a Ž M ..
PROOF. We only prove that Ža. implies Žb., because the other implication
is obvious. To do this, suppose that VF , a Ž M . ) 0. Then we have that ra Ž M .
) 0 and PX Ž M . - 1 y a . Moreover, for every r - ra Ž M ., we have that
PX Ž B Ž M, r .. - 1 y a and therefore there exist m 0 g R p and r 0 ) 0 such
that B0 s B Ž m 0 , r 0 . satisfies:
Ži. HB ta , M Ž X . dP ) 0;
0
Žii. min is1, . . . , k 5 m i y m 0 5 ) 23 ra Ž M .;
Žiii. r 0 - 31 ra Ž M ..
TRIMMED k-MEANS 571
Hence
1
VF , a Ž M . s
1ya
Ht M, a Ž X . F Ž d Ž X , M . . dP
1
s
1ya
HB t M, a Ž X . F Ž d Ž X , M . . dP
0
1
q
1ya
HB t c
M, a Ž X . F Ž d Ž X , M . . dP
0
1
)
1ya
HB t M, a Ž X . F Ž d Ž X , m 0 . . dP
0
1
q
1ya
HB t c
M, a Ž X . F Ž d Ž X , M . . dP
0
1
G
1ya
Ht M, a Ž X . min F Ž d Ž X , M . . , F Ž d Ž X , m 0 . . 4 dP
1
G
1ya
Ht M j m 0 4, a Ž X . F Ž d Ž X , M j m 0 4 . . dP
s VF , a Ž M j m 0 4 . . I
1
G
1ya
HB tn Ž X . F Ž gn . dP
n
1 y a y «n
G F Ž gn . F Ž `. ,
1ya
which contradicts Ž8.. I
PROOF OF THEOREM 3.1. After Lemma A.3 we have that there exists a
nonempty set I : 1, . . . , k 4 and a subsequence Žwhich we denote as the
initial one. such that:
if i f I, then d Ž m ni , 0 . ª ` as n ª `,
Ž 9.
if i g I, there exists m0i g R p such that m ni ª m0i as n ª `.
We can assume, without loss of generality, that I s 1, . . . , h4 with 1 F h F
k. Let us use the notation Mnh s m1n , . . . , m nh 4 and rnX s ra Ž Mnh ., n s 1, 2, . . . ,
and note that rnX G rn , n s 1, 2, . . . , and rnX 4n is a bounded sequence. First,
we will prove that
Ž 10. VF , a Ž Mnh . ª Vh , F , a as n ª ` and Vh , F , a s v k , F , a .
Let us take « n 4n and gn 4n as in Lemma A.3. After Ž9. we can assume,
without loss of generality, that, for every n g N ,
d Ž m ni , 0 . ) 2gn for i s h q 1, . . . , k ,
ž / ž /
h k
D B Ž m ni , rn . l D B Ž m ni , rn . s B
is1 ishq1
and
ž /
k
PX D B Ž m ni , rn . F « n .
ishq1
Hence we have
1
VF , a Ž Mnh . F
1ya
HB Ž M h
r n.
tn Ž X . F Ž d Ž X , Mnh . . dP q F Ž rnX . « n
n,
and then
Ž 1 y a . VF , a Ž Mn . G H tn Ž X . F Ž d Ž X , Mnh . . dP
B Ž M nh , r n .
G Ž 1 y a . VF , a Ž Mnh . y F Ž rnX . « n
G Ž 1 y a . Vh , F , a Ž X . y F Ž rnX . « n .
TRIMMED k-MEANS 573
Then, necessarily, Vk, F , a s Vh, F , a and Ž10. holds. Moreover, from Proposi-
tion A.1, we have
Ž 12. VF , a Ž Mnh . ª VF , a Ž M0h . as n ª `
and from Ž11. and Ž12. it follows that
VF , a Ž M0h . s Vh , F , a Ž X . ,
and then M0h s m10 , . . . , m0h 4 is a trimmed h-mean of X.
Now, if h s k, the proof is complete. If h - k, Proposition A.2 and Ž10.
imply that VF , a Ž M0h . s 0 and then the existence is obviously guaranteed for
every k G h. I
Finally, we are going to prove Theorem 3.4. We employ the same notation
as in Section 3. That is, x n 4n is a sequence of R p-valued random vectors
defined on Ž V, s , P . and Mn s m1n , . . . , m nk 4 , n s 0, 1, 2, . . . , is a trimmed
k-mean of X n with associated optimal trimming function tn and optimal
radius rn . Moreover, VnŽs Vk, F , a Ž X n .., n s 0, 1, 2, . . . , denotes the trimmed
k-variation of X n .
We begin with the following lemma. Its proof is somewhat related to that
of Lemma A.3.
F F Ž g . - F Ž `. .
Now, let « n 4n and gn 4n be sequences such that « n x0, gn ` and P w X n g
B Ž0, gn .x G 1 y « n .
If a n 4n were not bounded, we could obtain a subsequence Žwhich we denote
as the initial one. such that a n ) 2gn for every n s 1, 2, . . . and then we
574 ´
J. A. CUESTA-ALBERTOS, A. GORDALIZA AND C. MATRAN
would have
1
Vn G
1ya
HŽ X gB . t Ž X n n . F Ž d Ž X n , Mn . . dP
n n
1
)
1ya
HŽ X gB . t Ž X n n . F Ž gn . dP
n n
1 y a y «n
G F Ž gn . F Ž `. ,
1ya
which contradicts Ž13.. I
1yas Ht Ž X X
n n . dP ª H IBŽ M 0 , r X0 . Ž X 0 . dP as n ª `.
Hence
HI BŽ M 0 , r 0 .
X Ž X 0 . dP s 1 y a
and
IBŽ M 0 , r X0 . s t 0 , PX 0-a.e.
Moreover, we have
tnX Ž X n . F Ž d Ž X n , M0 . . ª t 0 Ž X 0 . F Ž d Ž X 0 , M0 . . , P-a.e.,
and tnX Ž X n . F Ž dŽ X n , M0 ..4n is uniformly bounded. Thus
1
Vn F
1ya
Ht Ž X X
n n . F Ž d Ž X n , M0 . dP
1
ª
1ya
Ht 0 Ž X 0 . F Ž d Ž X 0 , M0 . . dP as n ª `
and, consequently,
Ž 14. lim sup Vn F V0 .
n
TRIMMED k-MEANS 575
Then, by taking into account that <tn < F 1 for every n g N, we have
1yas Ht Ž Xn n . dP ª H IBŽ M Ž h. , r . Ž X 0 . dP as n ª `,
so that IBŽ M Ž h. , t . is a trimming function of level a for X 0 . Furthermore,
1
lim inf Vn s
n 1ya
lim inf
n
Ht Ž X n n . F Ž d Ž X n , Mn . dP
1
G
1ya
H limninf Žt Ž X n n . IBŽ M nŽ h. , r n . Ž X n . F Ž d Ž X n , Mn . . dP
1
q
1ya
H limninf Žt Ž X n n . IBŽ M ny M nŽ h. , r n . Ž X n . F Ž d Ž X n , Mn . . dP .
Therefore, in view of
1
1ya
H limninf Žt Ž X n n . IBŽ M ny M nŽ h. , r n . Ž X n . F Ž d Ž X n , Mn . . dP s 0,
we obtain
1
lim inf Vn G
n 1ya
H
IBŽ M Ž h. , r . Ž X 0 . F Ž d Ž X 0 , M Ž h. . . dP
G Vh , F , a Ž X 0 . .
This and Ž14. imply
Vh , F , a Ž X 0 . s Vk , F , a Ž X 0 . s lim Vn ,
n
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J. A. CUESTA-ALBERTOS A. GORDALIZA
´
DEPARTAMENTO DE MATEMATICAS ´
C. MATRAN
´
ESTADISTICA ´
Y COMPUTACION ´
DEPARTAMENTO DE ESTADISTICA
UNIVERSIDAD DE CANTABRIA ´ OPERATIVA
E INVESTIGACION
SAN TANDER UNIVERSIDAD DE VALLADOLID
SPAIN 47005 VALLADOLID
SPAIN