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  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Searching for Optimal Classi er Using a Combination of Cluster Ensemble and Kernel Method</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Vladimir B. Berikov</string-name>
          <email>berikov@math.nsc.ru</email>
          <xref ref-type="aff" rid="aff1">1</xref>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Lyailya Sh. Cherikbayeva</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Al-Farabi Kazakh National University</institution>
          ,
          <addr-line>Almaty</addr-line>
          ,
          <country country="KZ">Kazakhstan</country>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>Novosibirsk State University</institution>
          ,
          <addr-line>Novosibirsk</addr-line>
          ,
          <country country="RU">Russia</country>
        </aff>
        <aff id="aff2">
          <label>2</label>
          <institution>Sobolev Institute of Mathematics</institution>
          ,
          <addr-line>Novosibirsk</addr-line>
          ,
          <country country="RU">Russia</country>
        </aff>
      </contrib-group>
      <fpage>45</fpage>
      <lpage>60</lpage>
      <abstract>
        <p>This work introduces a supervised classi cation algorithm based on a combination of ensemble clustering and kernel method. The main idea of the algorithm lies behind the expectation that the ensemble clustering as a preliminary stage would restore more accurately metric relations between data objects under noise distortions and existence of complex data structures, eventually rising the overall classi cation quality. The algorithm consists in two major steps. On the rst step, the averaged co-association matrix is calculated using cluster ensemble. It is proved that the matrix satis es Mercer's condition, i.e., it de nes symmetric non-negative de nite kernel. On the next step, optimal classi er is found with the obtained kernel matrix as input. The classi er maximizes the width of hyperplane's separation margin in the space induced by the cluster ensemble kernel. Numerical experiments with arti cial examples and real hyperspectral image have shown that the proposed algorithm possesses classi cation accuracy comparable with some state-of-the-art methods, and in many cases outperforms them, especially in noise conditions.</p>
      </abstract>
      <kwd-group>
        <kwd>Kernel based learning matrix</kwd>
        <kwd>Support vector machine</kwd>
        <kwd>Cluster ensemble</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>-</title>
      <p>Co-association
Kernel based learning and collective decision making (ensemble approach) stay
among top trends in uencing the progress in machine learning.</p>
      <p>Kernel (potential) function de nes an implicit non-linear mapping of the
initial feature space into a new space with larger or even in nite dimensionality.</p>
      <p>Copyright c by the paper's authors. Copying permitted for private and academic purposes.</p>
      <p>
        In: S. Belim et al. (eds.): OPTA-SCL 2018, Omsk, Russia, published at http://ceur-ws.org
In the new space, initial con gurations of patterns are transformed (with so
called \kernel trick") into the structures which often are more compact and
linearly separable. To calculate distances or average values in the new space,
it is not necessary to determine coordinates of the transformed points; it is
enough to only know the values of kernel function. Such methods as Support
Vector Machine (SVM), Kernel Fisher Discriminant (KFD), Kernel K-means,
Kernel Principal Component Analysis, etc., are based on this methodology [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ].
The decision function is de ned by a linear combination of kernels determining
distances to a number of sample elements. In the existing algorithms, the kernel
matrix is usually calculated with use of the Euclidean distance between objects
in the input feature space.
      </p>
      <p>Ensemble approach exploits the idea of collective decision making by usage
of algorithms working on di erent settings such as subsets of parameters,
subsamples of data, combinations of features, etc. Ensemble based systems usually
yield robust and e ective solution, especially in case of uncertainty in data model
or when it is not clear which of algorithm's parameters are most appropriate for
a particular problem. As a rule, properly organized ensemble (even composed of
\weak" predictors) signi cantly improves the overall quality of decisions [2{6].</p>
      <p>
        Cluster analysis aims at determining a partition of a dataset on natural
clusters using objects descriptions and a certain criterion of compactness-remoteness
of groups. Ensemble clustering is one of the successful implementations of the
collective methodology. There are a number of major techniques for constructing
the ensemble decision [7{9]. Following evidence accumulation approach [
        <xref ref-type="bibr" rid="ref10">10</xref>
        ], the
clustering partition is found in two steps. On the rst step, a number of
clustering results are obtained (for example, by usage of K-means for di erent number
of clusters or random initializations of centroids). For each partition variant, the
co-association boolean matrix is calculated. The matrix elements correspond to
the pairs of data objects and indicate if the pair belong to the same cluster or
not. On the second step, the averaged co-association matrix is calculated over all
variants; it is used for constructing the resultant partition: the matrix elements
are considered as distances or similarity measures between data points and any
clustering algorithm designed for such type of input information is applied to
get the nal clustering partition.
      </p>
      <p>
        This paper introduces an algorithm of classi er construction using a
combination of ensemble clustering and kernel based learning. The proposed methodic
is based on the hypothesis that the preliminary ensemble clustering allows one to
restore more accurately metric relations between objects under noise distortions
and existence of complex data structures. The obtained kernel matrix depends
on the outputs of clustering algorithms and is less noise-addicted than
conventional similarity matrix. Clustering with su ciently large number of clusters
can be viewed as Learning Vector Quantization methodic [
        <xref ref-type="bibr" rid="ref11">11</xref>
        ] known for
lowering the average distortion in data. These reasons, as supposed, eventually result
in an increase of recognition accuracy of the combination. The outline of the
method is as follows. First of all, a number of variants of a dataset partitioning
are obtained with base clustering algorithm. Then the averaged co-association
matrix is calculated, where the averaging is performed with weights dependent
on the obtained ensemble's characteristics. The matrix elements play the role
of similarity measures between objects in the new feature space induced by
implicit non-linear transformation of input features. On the second stage, a kernel
classi er is found by usage of the obtained co-association matrix as input kernel
matrix (we used SVM in numeric experiments).
      </p>
      <p>The aim of this paper is to verify the practicability of the suggested
methodology with theoretical analysis and experimental evaluation.</p>
      <p>
        There are two main types of cluster ensembles: homogeneous (when a single
algorithm partitions data by varying its working settings) and heterogeneous
ones (which includes a number of di erent algorithms). Heterogeneous cluster
ensemble was considered in [
        <xref ref-type="bibr" rid="ref12 ref13">12, 13</xref>
        ], where methods for its weights optimization
were suggested. Homogeneous cluster ensemble was investigated in [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ] with use
of the probabilistic model assuming the validity of some key assumptions. In the
current work, we follow a scheme of homogeneous ensemble and perform
theoretical investigation of some of its properties using less restrictive assumptions.
      </p>
      <p>The rest of the paper is organized as follows. Section 2 brie y overviews
related works. Section 3 introduces necessary notions in the eld of kernel based
classi ers and ensemble clustering. In The Next Section We Prove That the
Weighted Co-association Matrix obtained with cluster ensemble is a valid kernel
matrix. The proposed algorithm of classi er design KCCE is also presented and
some details of the optimization procedure are given. Section 5 provides a
probabilistic analysis of the ensemble clustering stage. The Final Section Describes
the Results of Numerical Experiments with KCCE. The conclusion summarizes
the work and describes some of the future plans.
2</p>
    </sec>
    <sec id="sec-2">
      <title>Related Works</title>
      <p>
        The idea of combining cluster analysis and pattern recognition methods is rather
well-known in machine learning [
        <xref ref-type="bibr" rid="ref15">15</xref>
        ]. There are several natural reasons for the
combination:
{ Cluster analysis can be viewed as a tool for data cleaning to eliminate outliers
or noisy items from learning sample [
        <xref ref-type="bibr" rid="ref16">16</xref>
        ].
{ Joint learning and control sample provides additional information on data
distribution which can be utilized to improve the classi er performance (this
way of reasoning is sometimes called the trunsductive learning ). For example,
the authors of [
        <xref ref-type="bibr" rid="ref17">17</xref>
        ] make a partition of the united sample into clusters which
are used to design more accurate decision rule.
{ In semi-supervised learning context [
        <xref ref-type="bibr" rid="ref18">18</xref>
        ], usage of small amount of labeled
data in combination with a large volume of unlabeled examples is useful for
constructing more e cient classi er.
      </p>
      <p>
        A connection between cluster analysis and kernel based classi ers was
established in [
        <xref ref-type="bibr" rid="ref19">19</xref>
        ], where cluster kernels were proposed implementing the cluster
assumption in the form: \two points are likely to have the same class label if
there is a path connecting them passing through regions of high density only".
Three types of kernels were presented: kernels from mixture models, random walk
kernels and kernels induced by a cluster representation with spectral clustering
[
        <xref ref-type="bibr" rid="ref20">20</xref>
        ].
      </p>
      <p>
        The usage of a certain similarity function (which not necessarily possesses
positive semi-de niteness property) instead of kernel function was proposed in
[
        <xref ref-type="bibr" rid="ref21">21</xref>
        ]. A classi er is nding in two stages. On the rst stage, the choice of some
\supporting" points is performed. With regard to these points, according to the
de ned similarity function, initial observations are mapped into metric space
of small dimensionality. On the second stage, a linear classi cation rule is
constructed in the new space implementing SVM-type algorithm to nd the
classication margin of maximum width.
      </p>
      <p>
        Following the idea of combining cluster ensembles and supervised classi
cation, the authors of [
        <xref ref-type="bibr" rid="ref22">22</xref>
        ] construct new feature space by usage of the degree
of belonging of objects to clusters in the obtained variants of data partitioning
with cluster ensemble. The transomed feature matrix is utilized as input training
set for classi cation using conventional techniques such as Decision Tree, Naive
Bayes, K-nearest neighbors, Neural Network. The method showed its e
ectiveness in comparison with a number of state-of-the-art procedures.
      </p>
      <p>Unlike the above mentioned works, we apply completely di erent
combination scheme based on the notion of kernel function.
3</p>
    </sec>
    <sec id="sec-3">
      <title>Basic Preliminaries</title>
      <p>Suppose we are given a data set A = fa1; : : : ; aN g consisting of N objects
(examples), A , where is a statistical population. Information about the
objects is presented in the form of a feature matrix Z = (X; Y) = (xi; yi)iN=1,
where xi = (xi;1; : : : ; xi;d) 2 Rd is input feature vector (d is feature space
dimensionality), xi;m = Xm(ai) is a value of feature Xm for object ai; yi is a
class label attributed to ith object, i = 1; : : : ; N . For binary classi cation task
we assume yi 2 f 1; 1g. In multi-class classi cation problem, an arbitrary nite
set of unordered class labels is de ned.</p>
      <p>On the basis of the information about A (training sample), it is required
to nd a classi er (predictor, decision function) y = f (x), optimal in some
sense, e.g. having minimal expected losses for unseen examples. To examine the
performance of the classi er, it is possible to use test sample B = fb1; : : : ; bNt g,
B described with feature matrix Xtest. We shall presume that the objects
in A and B are independent and identically distributed (iid), that is, the sets are
collected on the basis of independent random choice of objects from without
replacement following a xed distribution.</p>
      <p>
        Kernel classi ers [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ] make use of the notion of kernel function K(xi; xj ) 0,
where K is a kind of similarity measure between two data points. Linear kernel
classi er exempli es a binary decision function introduced within this approach:
f (x) = sign( P iyiK(x; xi)); where sign is the sign function, 1; : : : ; N are
xi2X
non-negative weights. A number of methods for determining weights (Support
Vector Machine, Kernel Fisher Discriminate, etc.) exist.
      </p>
      <p>For the SVM classi er, the weights are found as a solution to the constrained
quadratic optimization problem of maximizing the width of the margin
(separation region) between two classes in Hilbert's space induced by kernel mapping.</p>
      <p>KFD is a kernelized version of Fisher's linear discriminant analysis (LDA)
which aims at nding such a position of a straight line in feature space, for
which the object's projections are separated as better as possible according
to a functional minimizing within-class scatter of projections and maximizing
between-class distance.</p>
      <p>
        The general multi-class classi cation problem can be solved by the
application of a series of binary classi cation tasks for SVM or KFD, e.g.,
one-againstall, one-against-one or Error Correcting Output Codes (ECOC) schemes [
        <xref ref-type="bibr" rid="ref23">23</xref>
        ].
      </p>
      <p>Kernel k-NN classi er assigns data points according to k Nearest Neighbor
rule, where neighboring points are determined with respect to similarity measure
de ned by kernel function.</p>
      <p>Consider a scheme of homogeneous cluster ensemble. Let a clustering
algorithm be running a number of times under di erent conditions such as initial
cluster centroids coordinates, subsets of features, number of clusters or other
parameters. The joined data set A [ B is the input for the algorithm (if test
sample is unavailable in the moment of classi er design, then set A is the input).
In each lth trial, algorithm creates a partition of the given dataset composed
of Kl clusters, where l = 1; : : : ; L, and L is the given number of runs. For each
variant of clustering, we de ne the evaluation function l (cluster validity index
or diversity measure). We suppose that the values are scaled to non-negative
quantities and the better is the found variant according to certain criterion, the
larger is the quantity.</p>
      <p>For a pair of di erent data objects (ai; aj ) 2 A [ B, we de ne the value
hl(i; j) = I[ l(ai) = l(aj )]; where I[ ] is the indicator function: I[true] = 1;
I[f alse] = 0; l(a) is the cluster label assigned by algorithm to object a in lth
run. Ensemble matrix M stores the results of clusterings: M = ( l(ai))li==11;;::::::;;LN+Nt .</p>
      <p>The averaged co-association matrix H = (h(i; j)) is de ned over all
gener</p>
      <p>L
ated variants: h(i; j) = P ul hl(i; j); where the standardized weights u1; : : : ; uL
l=1
indicate the quality of clustering for the given variants: ul = P l0
l ; l = 1 : : : ; L:
4</p>
    </sec>
    <sec id="sec-4">
      <title>Kernel Classi cation with Averaged Co-association</title>
    </sec>
    <sec id="sec-5">
      <title>Matrix</title>
      <p>Let K(x; x0): D D ! R be a symmetric function, either continuous or
having a nite domain, D be a closed subset in Rd. According to Mercer's
theorem, K(x; x0) is kernel function (i.e., it de nes inner product in some metric
space), if and only if for any nite set of m points fxigim=1 in D and real
numbers fcigim=1, matrix K = (K(i; j)) = (K(xi; xj ))im;j=1 is nonnegativity de nite:
m
P cicj K(i; j) 0: Let us prove the following
i;j=1
Proposition 1. The averaged co-association matrix satis es Mercer's
condition.</p>
      <p>Proof. The symmetric property of H is obvious. The domain of H is a nite set
A [ B. Let Ir(l) be the set of indices for data points belonging to rth cluster in
m
lth variant of partitioning. Then for any fcigim=1 it holds true: P cicj h(i; j) =
i;j=1
m L L
P cicj P ul hl(i; j) = P ul
i;j=1 l=1 l=1</p>
      <p>Pm ci cj hl(i; j) = PL ul PKl P
i;j=1 l=1 k=1 i;j2Ik(l)</p>
      <p>cicj</p>
      <p>L Kl
= P ul P ( P ci)2
l=1 k=1 i2Ik(l)
0:</p>
      <p>From this property, it follows that the averaged co-association matrix is a
valid kernel matrix and can be used in kernel based classi cation methods.</p>
      <p>Let us describe the main steps of the proposed algorithm KCCE (Kernel
Classi cation with Cluster Ensemble).</p>
      <p>Algorithm KCCE.</p>
      <p>Input:
training data set Z = (X; Y) = (xi; yi), i = 1; : : : ; N ;
test data set Xtest;
L: number of runs for base clustering algorithm ;</p>
      <p>: set of allowable parameters (working conditions) of .</p>
      <p>Output:
decision function y = f (x); class labels attributed to Xtest.</p>
      <p>Steps:
1. Generate L variants of clustering partition of X [ Xtest using algorithm
with randomly chosen working parameters; calculate evaluation functions and
weights;
2. For each pair (xi; xj ) 2 X [ Xtest (i 6= j), if the pair are assigned to the same
group in lth variant, then hl(i; j) := 1, otherwise hl(i; j) := 0;
3. Calculate the averaged co-association matrix H;
4. Find decision function with the preset type of kernel classi er and matrix H;
5. Classify test sample Xtest using the found decision function and matrix H;
end.</p>
      <p>In this paper, we use K-means as base clustering algorithm, however it is
possible to apply any other clustering technique. As the kernel classi er, we
utilize soft margin version of SVM which aims at optimizing the following objective</p>
      <p>min
i ! w;b;
i
where w is normal vector to the separating hyperplane in the space induced by
kernel, b is hyperplane's bias, i is a penalty imposed on ith example violating
the separation margin, C 0 is soft margin parameter. By solving for the
Lagrangian dual, one obtains the quadratic optimization problem:
W ( ) = X</p>
      <p>i
i
1 X
2 i;j
i j yiyj K(xi; xj ) !
max
subject to: P iyi = 0; 0 i C; i = 1; : : : ; N;</p>
      <p>i
where K( ; ) is kernel function. One may substitute this kernel by the cluster
ensemble kernel H and get:</p>
      <p>W ( ) = X</p>
      <p>i
i
1 X
2 i;j
i j yiyj X ul hl(i; j)
l
= X
i
i
l</p>
      <p>Kl
1 X ul X X
2
k=1 i;j2Ik(l)
i j yiyj = X</p>
      <p>i
i
1 X ul
2
l</p>
      <p>Kl
X( X
k=1 i2Ik(l)
iyi)2:</p>
      <p>
        We search for the optimal solution using Sequential Minimal Optimization
(SMO) method [
        <xref ref-type="bibr" rid="ref24">24</xref>
        ]. A point xi for which i &gt; 0 is called support vector. The
bias term b is determined by any support vector xi : b = yi P yi iH(xi; xi ):
i
      </p>
      <p>The decision for xj 2 Xtest is calculated using the found multipliers: f (xj ) =
sign(P yi iH(xj ; xj ) + b):</p>
      <p>i</p>
      <p>One can see that there is no need to store the kernel matrix: the objective
function is computed using the ensemble matrix M kept in memory. Therefore
KCCE has linear storage complexity with respect to data size. The time
complexity depends on the type of utilized clustering and kernel algorithms and
is linear with respect to data matrix dimensionality in case of K-means and
SVM-SMO.</p>
      <p>In some classi cation tasks, test data are unavailable in the moment of
classi er design. To nd the decision function f (x) for any new feature vector x, this
observation should be attributed to clusters according to the obtained partition
variants. It is possible to make this assignment using cluster centroid coordinates
which can be stored in memory during the implementation of Step 1 in KCCE.
The observation is assigned to the nearest centroid's label for each clustering
variant.</p>
    </sec>
    <sec id="sec-6">
      <title>On the Reliability of Ensemble Clustering</title>
      <p>
        The suggested combined method includes two main phases: ensemble clustering
and kernel classi er design. An important question is the reliability of the rst
step: are the elements of the obtained similarity matrix H t true relationships
between object pairs (e.g., belonging to same or di erent classes)? To study this
problem, we use the methodology described in [
        <xref ref-type="bibr" rid="ref12 ref13 ref14">12, 14, 13</xref>
        ].
      </p>
      <p>In the clustering process, true class labels are unavailable. Following a
probabilistic approach, one may suppose that data sample is composed of a nite
number of components. A latent groundtruth variable Y 0 de nes the class
number to which an object belongs. Denote
v(i; j) = I[ Y 0(ai) = Y 0(aj ) ];
(1)</p>
      <p>P ul &gt; P
l:hl(i;j)=1 l:hl(i;j)=0
decision for ai and aj following weighted voting procedure.</p>
      <p>For a pair (ai; aj ), their ensemble's margin is de ned as
where ai and aj are arbitrary objects from input sample. This quantity
determines the true status of the pair (i.e., if ai and aj indeed belong to the same
class).</p>
      <p>Function c(i; j) = I [ ul] will be called the ensemble
mg(i; j) = f</p>
      <p>X</p>
      <p>ul
l:hl(i;j)=v(i;j)</p>
      <p>X
l:hl(i;j)6=v(i;j)
ulg
and can be rewritten in the form:
mg(i; j) =</p>
      <p>L
X ul fI[hl(i; j) = v(i; j)]
l=1</p>
      <p>I[hl(i; j) 6= v(i; j)]g :
This value indicates to what extend the number of right decisions for (ai; aj )
exceed the number of wrong ones. Evidently, it equals:
mg(i; j) =</p>
      <p>
        L
X ul(2v(i; j)
l=1
1)(2hl(i; j)
1):
(2)
The margin can not be calculated if the true partition is unknown. However,
it was shown in [
        <xref ref-type="bibr" rid="ref12 ref14">12, 14</xref>
        ] that some of margin's characteristics can be evaluated
using a number of assumptions on the behavior of clustering algorithms:
A1) Under the condition that input data matrix is xed, for any pair of objects
(ai; aj ) their true status is a random value V (i; j) with values de ned in (1).
A2) Algorithm is randomized, i.e. it depends on the vector chosen at random
from the set of parameters . For xed input data, is running L times with
i.i.d. parameters 1; : : : ; L being statistical copies of .
      </p>
      <p>
        Conditional probabilities of correct decisions (partition or union of ai and aj
under xed V (i; j)) are denoted as
q0(i; j) = P [h(i; j; ) = 0jV (i; j) = 0]; q1(i; j) = P [h(i; j; ) = 1jV (i; j) = 1];
where h(i; j; ) is the decision for (ai; aj ) made by algorithm with random
parameters . It should be noted that the work [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ] makes use of more restrictive
assumption: q0(i; j) = q1(i; j), i.e. it presumes that the conditional probabilities
of correct assigning of both kinds coincide. This assumption could be used for the
qualitative analysis of cluster ensemble's behavior; however, numerical results of
[
        <xref ref-type="bibr" rid="ref13">13</xref>
        ] demonstrate that it can be violated.
      </p>
      <p>The measure of clustering validity, estimated with algorithm , is represented
as a random value (X; ). Because the quality criterion is determined on the
whole data set, one may consider this value practically independent on V (i; j)
and h(i; j; ).</p>
      <p>The weights u1; : : : ; uL are random values following identical distribution
de ned by the distribution of ( ) and its statistical copies 1( 1); : : : ; L( L).
The weights are dependent on each other, and for any pair (ul1 ; ul2 ) the degree of
their dependence is characterized with the covariance coe cient = cov[ul1 ; ul2 ]:
From i.i.d. assumption, and because of P E[ul] = E
l</p>
      <p>P ul
l
= 1, it follows
that E[ul] =</p>
      <p>. Let us denote by s = V ar[ul] the variance of weights. From
0 = V ar
"</p>
      <p>#
X ul =
l</p>
      <p>X V ar[ul] +
l</p>
      <p>X
l1;l2 (l16=l2 )
cov[ul1 ; ul2 ];
one may conclude that LV ar[ul] + L(L
1)cov[ul1 ; ul2 ] = 0: Thus we get
=</p>
      <p>L
s
1
:
(3)
Proposition 2. Given the assumptions A1), A2) be valid, conditional
mathematical expectation of ensemble margin for (ai; aj ) under V (i; j) = v equals:
E [mg(i; j) j V (i; j) = v] = 2Q(v; i; j)
1;
where
= ( 1; : : : ; L), Q(v; i; j) = (1
v) q0(i; j) + v q1(i; j); v 2 f0; 1g.</p>
      <p>Proof. Let us denote by hl(i; j; l) = I[ (i; l) = (j; l)] the decision for
(ai; aj ), where (i; l) is the cluster label assigned to object ai by algorithm
in its lth run with usage of parameter vector l.</p>
      <p>Until the proof end, arguments i; j are skipped for short: mg(i; j) = mg,
V (i; j) = V , etc. From (2) we have:</p>
      <p>E [mgjV = v] = P E [ul ( l)(2v 1)(2hl( l) 1)]:</p>
      <p>l</p>
      <p>Because l and are equally distributed and ul( l) is independent on
hl( l), it holds true that
E [mgjV = v] = P E[ul( )] (2v 1)(2E [h( )] 1) = (2v 1)(2E [h( )] 1):
l</p>
      <p>For v = 0 we have: (2v 1)(2E [h( )] 1) = (2P [h( ) = 1jV = 0] 1) =
2q0 1; and for v = 1: (2v 1)(2E [h( )] 1) = 2P [h( ) = 1jV = 1] 1 =
2q1 1: Therefore E [mgjV = v] = 2Q(v; i; j) 1: This completes the proof.
Proposition 3. Given the assumptions A1), A2) be valid, conditional variance
of ensemble margin for (ai; aj ) under V (i; j) = v equals:</p>
      <p>V ar [mg(i; j) j V (i; j) = v] = 4Q(v; i; j)(1
Q(v; i; j)) (L s +
Proof. Let us again skip indices i; j for simplicity; and also let hl denote hl( l),
h = h( ), ul = ul( ). From the properties of variance, it follows that under
condition V = v it holds true:</p>
      <p>V ar [mg] = (2v
1)2V ar
"</p>
      <p>Now we consider the upper bound for the weight's variance.</p>
      <p>Proposition 4. Under the validity of the assumptions A1) and A2), the
vari1
ance s = V ar[ul] is upper bounded with the expression: s L2 (E[ ( ) 2] 1):
(E[h])2
(E[ul1 ul2 ]</p>
      <p>E[ul1 ]E[ul2 ]) = (E[h])2 L(L
1) :
Using (3), (4) we see that
V ar [mg] = 4Q(1</p>
      <p>Q) L s +</p>
      <p>Q(1</p>
      <p>Q) + 4(E[h])2L s</p>
      <p>
        4 (E[h])2 L s =
The proof technically repeats the one for analogous statement in [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ], p. 430.
      </p>
      <p>Our main objective is nding dependencies between the observed ensemble
characteristics and the probability of directly unobserved classi cation error for
a pair ai; aj :</p>
      <p>Perr(i; j) = P 1;:::; L;U(i;j)[ c(i; j) 6= V (i; j)]:</p>
      <p>It is clear that the probability of error in ensemble classi cation of a pair
equals Perr(i; j) = P [mg(i; j) &lt; 0].</p>
      <p>Now let us consider the conditional probability of error under given state of
objects: Perr(v; i; j) = P 1;:::; L;V (i;j)[ c(i; j) 6= V (i; j) j V (i; j) = v]; v 2 f0; 1g:
Proposition 5. Let the above introduced model assumptions A1), A2) be valid,
and also let E [mg(i; j) j V (i; j) = v] &gt; 0 for each (i; j). Then the conditional
probability of error in classi cation of a given pair is upper bounded by the
expression:</p>
      <p>Perr(v; i; j) &lt;</p>
      <p>V ar [mg(i; j) j V (i; j) = v]
(E [mg(i; j) j V (i; j) = v])2
;
where conditional mathematical expectation and variance of margin are given by
Propositions 2,3.</p>
      <p>
        This property directly follows from the Tchebychev's inequality. The proof
is similar to one given in [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ], p. 433, and skipped in this work for the sake of
brevity.
      </p>
      <p>From Proposition 2, it is clear that the margin expectation takes positive
value if the following assumption is valid:</p>
      <p>A3) 8i; j (i 6= j); 0:5 &lt; q0(i; j)
1; 0:5 &lt; q1(i; j)
1:</p>
      <p>It means that the base clustering algorithm has at least slightly better
classi cation quality than just random assignment of a pair to the same or di erent
clusters. In machine learning theory, similar conditions are known as algorithm's
weak learnability.</p>
      <p>Let us formulate an important consequence of the obtained results.
Proposition 6. Holding all other factors constant, under validity of
assumptions A1), A2) and A3), conditional probability of error converges to zero as the
ensemble size increases.</p>
      <p>This property follows from Propositions 2-5 taking into account that the
weight's variance s is of order O(L 2).
6</p>
    </sec>
    <sec id="sec-7">
      <title>Numerical Experiments</title>
      <p>
        This Section Describes Numerical Experiments with Kcce. In the First
experiment, we used Monte Carlo statistical modeling technique to evaluate the quality
of classi cation. We consider a simple case of two spherical Gaussian classes
N (m1; ) and N (m2; ), each having diagonal covariance matrix = I,
where &gt; 0 is a parameter, m1 and m2 are population means (in our
experiments, m1 = 0 and m2 = 1). The classes are of equal prior probabilities
P1 = P2 = 0:5. In this simple case, it is possible to derive the Bayes probability
of error PB = ( =2); where = (m1 m2)T 1(m1 m2) is the
Machalanobis distance, is the standard Gaussian cumulative distribution function.
Moreover, the expected generalization error for the optimal sample-based linear
!
classi er [
        <xref ref-type="bibr" rid="ref25">25</xref>
        ] asymptotically equals PN =
      </p>
      <p>In Monte Carlo modeling, we repeatedly generate data sets according to the
given distributions. For each class, training sample size equals N . Each data set
is analyzed in Matlab environment with SVM, KFD and KCCE. For SVM and
jjx x0jj 2
KFD, radial basis function '(x; x0) = e 2 r with r = 5 is used as a kernel.
The soft margin constant is C = 10. The cluster ensemble is generated for KCCE
by random initialization of centroids in K-means (number of clusters equals 2).
Ensemble size equals 10. The weights of partition variants are constant values.</p>
      <p>The accuracy (probability of correct classi cation) of each algorithm is
estimated by independent test sample of size Nt = 1000. To make the results
more statistically sound, we averaged the accuracy estimates over 100 Monte
Carlo repetitions. The 95% con dence intervals for the probability of correct
classi cation are evaluated for each algorithm.</p>
      <p>Figure 1 presents the results of modeling. The plots display the dependencies
between algorithm's accuracy and standard deviation for di erent
combinations of feature space dimensionality and training sample size.</p>
      <p>The results show that there exist such examples of data distribution for which
the proposed method demonstrates substantially more accurate classi cation
than SVM or KFD, and approaches to the optimal Bayes classi er.</p>
      <p>
        In the second experiment we consider a real hyperspectral satellite image
\Indian Pines" taken from [
        <xref ref-type="bibr" rid="ref26">26</xref>
        ]. This scene was gathered by AVIRIS sensor over
the Indian Pines test site in North-western Indiana. The image size is 145 145
pixels; each pixel is characterized by the vector of 224 spectral intensities in
4002500 nm range. The image includes 16 classes describing di erent vegetation
types, as one can see in Figure 2. There are unlabeled pixels not assigned to any
of the classes. These pixels are excluded from the analysis. To study the e ect
of noise on the performance of the algorithms, randomly selected 100r% of the
spectral intensity values have experienced a distorting e ect: the corresponding
value x is replaced by the quantity generated from the interval [x(1 p); x(1+p)],
where r; p are preset parameters. The dataset has been randomly divided on
training and test sample in proportion 1:3.
      </p>
      <p>We use multiclass SVM following \one-against-one" strategy. Cluster
ensemble size is L = 200 . For the construction of each variant, three hyperspectral
channels are randomly chosen. To obtain more diverse results of K-means, the
number of its iterations is limited to 1, and the initial centroids are randomly
sampled from data. In the ensemble generation, data matrix Xtest is not used.
The number of clusters in each variant equals dpN e. The weights of clusterings
are constant values.</p>
      <p>We compare the proposed algorithm with conventional SVM using Euclidean
metric, under similar conditions (the parameters are chosen as recommended
default values in Matlab environment; RBF kernel with = 10 gives the best
results). Table 1 shows the accuracy of classi cation (rate of correctly predicted
class labels) on test sample for some of the noise parameters. The running time
on a dual-core Intel Core i5 processor with a clock frequency of 2.8 GHz and 4
GB RAM is about 50 sec in average for KCCE and 14 sec for SVM (note that
an unoptimized code is used in KCCE implementation, in contrast with e cient
implementation of SVM). One can see that KCCE has revealed itself as more
noise resistant than SVM, especially under large distortion rates.
In this work, we have introduced a supervised classi cation algorithm using a
combination of ensemble clustering and kernel based classi cation. In the
clustering ensemble, we used a scheme of a single clustering algorithm that
constructs base partitions with parameters taken at random. It was veri ed that
the weighted co-association matrix obtained with a clustering ensemble is a
valid kernel matrix. The proposed combined approach experimentally has been
proven to be successful when comparing with Support Vector Machine and
Kernel Fisher Discriminant. Monte-Carlo experiments demonstrated that there exist
examples of data distribution for which the proposed method gets signi cantly
more accurate predictions. The experiment with a real hyperspectral satellite
image has shown that the suggested algorithm is more accurate than SVM under
noise distortion.</p>
      <p>
        In the future, we plan to continue working under improving the performance
of the suggested approach. For example, it will be useful to lter out points with
unstable clusterings before using the kernel classi er. We expect that applying
cluster ensemble with optimized weights [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ] will further improve the accuracy.
It will be interesting to apply the introduced approach for the solution of other
types of machine learning problems such as regression or transfer learning.
Acknowledgement. The work was carried out according to the scienti c
research program \Mathematical methods of pattern recognition and prediction"
in the Sobolev Institute of mathematics SB RAS. The research was partly
supported by RFBR grant 18-07-00600 and partly by the Russian Ministry of Science
and Education under the 5-100 Excellence Programme.
      </p>
    </sec>
  </body>
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