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K-Means algorithm is one of the most popular partitioning clustering algorithm. It is well-known
due to its simplicity but, have many drawbacks. The random selection of initial centers leads to
local convergence and never gets the optimal clustering result. In this paper, we propose an
efficient initialization of centers through the highly dense and maximum distance approach with
aim is to optimal clustering results. The experiments perform on three standard datasets and
verify with five validity measures show that the clustering results are better in terms of
minimizing compactness within clusters and maximizing separation between the clusters. The
convergence speed of propose method is quiet faster than the traditional methods like K-Means,
K-Means++ and K-Medoids.

K-Means algorithm is one of the most popular partitioning clustering algorithm. It is well-known
due to its simplicity but, have many drawbacks. The random selection of initial centers leads to
local convergence and never gets the optimal clustering result. In this paper, we propose an
efficient initialization of centers through the highly dense and maximum distance approach with
aim is to optimal clustering results. The experiments perform on three standard datasets and
verify with five validity measures show that the clustering results are better in terms of
minimizing compactness within clusters and maximizing separation between the clusters. The
convergence speed of propose method is quiet faster than the traditional methods like K-Means,
K-Means++ and K-Medoids.

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

Aarti Chaudhary* , Dharmveer Singh Rajpoot

Department of Computer Science and Engineering / Information Technology ,

Jaypee Institute of Information Technology , Noida , India

chaudhary.aarti111@gmail.com*, dharmveer.rajpoot@jiit.ac.in

ABSTRACT

K-Means algorithm is one of the most popular partitioning clustering algorithm. It is well-known

due to its simplicity but, have many drawbacks. The random selection of initial centers leads to

local convergence and never gets the optimal clustering result. In this paper, we propose an

efficient initialization of centers through the highly dense and maximum distance approach with

aim is to optimal clustering results. The experiments perform on three standard datasets and

verify with five validity measures show that the clustering results are better in terms of

minimizing compactness within clusters and maximizing separation between the clusters. The

convergence speed of propose method is quiet faster than the traditional methods like K-Means,

K-Means++ and K-Medoids.

Index Terms: Clustering; Dataset; K-Means; Initial cluster center and Optimization.

I. INTRODUCTION

In todays scenario, lots of data like web commerce, credit card/debit card transactions, web server logs

and so on are collected and stored in database, warehouse every second. The applications range from

scientific discovery to business which includes various techniques to analyze data for find hidden

patterns that are not readily evident and models for all types of data [2]. There are many techniques to

find the patterns i.e. supervised learning includes Classification and Regression, Unsupervised learning

consists of Clustering, Dependency modeling have associations, summarization and causality, outlier and

deviation detection [1].

Clustering is defined as partitioning the data into groups or subsets called as clusters. Clustering methods

includes partitioning and hierarchical. The hierarchical clustering broadly categories into two groups i.e.

the divisive approach and agglomerative approach. The main drawback of this method is that the division

or merging what have done on clusters is permanent in nature and the time complexity is quite high i.e.

O(M2), where M is the number of data points. The partitioning clustering divides the datasets into given

number of clusters. There are many methods through which partitioning clustering can be done it i.e.

Graph - theoretic, density-based, model-based, Grid-based and etc. The aim of clustering is to minimize

the homogeneity within clusters and maximize the heterogeneity between the clusters. As in

unsupervised learning the initial knowledge i.e. where to start the clustering is missing, which resulting

more complexity to divide the dataset into clusters. So, the initial centers selection is quiet complex. KMeans, K-Medoids are two well- known partitioning algorithms. In K-Means the initial centers are

randomly selected from the dataset. As, K-Means mainly consists of two steps: 1) Assigning the data

points to nearest centre using distance approach. 2) Updating centers while taking the mean of all data

points assigned to particular cluster. Repeat these two steps until centers do not convergence. On the

other hand, K-Medoids also select the initial medoids randomly from the dataset. In the first step, for

every medoids swap the medoids to all the non-medoids and calculating the cost of that configuration. In

second step, if the cost is lower than the previous one than the swapping between the medoids to nonmedoids is done. Repeat the step until no more data points or medoids change the cluster. The main

45 | 2015, IJAFRC All Rights Reserved

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

difference between the K-Means and K-Medoids is that the final centers in K-Means may be comes

different data point from the dataset but, in case of K-Medoids the final centers allows the data points

from the dataset only.

The main advantage of K-Means and K-Medoids are easy to implement and understand. But the problem

is wrong initial centers selection leads to local optimal clustering results and cannot acquire global

optimal configuration.

Rest of the paper is organized in the following Sections: Section II, describe the literature survey related

to initialization of clusters center. Section III consists of the description of proposed algorithm with the

pseudo code. Section IV contains results and discussion of experiments performed of traditional methods

and proposed method. Section V summaries the conclusion and future scope of research paper.

II. RELATED WORK

The initial centre problem is one of the mostly desirable to solve. In past, many solutions are given to

solve it. Juifang Chang [3] uses the re-centroid technique to eliminate unstable results in clustering which

comes for identifying initial centers from patterns of different shape and size. Yunming Ye [4] proposed

the NK-Means which is combination of NBC (Neighborhood Based clustering) and K-Means. It is very

time consuming process because to identify that the data point is located in dense, sparse or evenly

distributed space. So, the data space is divided into hyper cubes cells of identical sides in every

dimension. The density-aware approach is employed to only dense cells which further division of them.

Partha Sarathi Bishnu [5] use Quad-Tree data structure for finding the initial clusters centers. The main

drawback is that if the dataset is not well scattered into data space, then all the data points either goes in

left or right side of tree. Kai Lei [6] propose algorithm in which cluster contains fixed range of objects

under it. Samuel Sangkon Lee [7] uses the maximum average distance between the selected initial

centers. It results more accurate results as centers are evenly scattered in the data space. Xin Chang [8]

uses the supervised learning to identify the initial centers in case of CSK (Complete Seed K-Means).On the

other hand, ISK (Incomplete Seed K-Means) some of initial centers are selected but remaining is selected

using maximum distance approach or with random basics. Young Jun Zhang [9] proposed an algorithm to

choose initial centers according to similarity density that is calculated using the similarity degree. The

minimum similarity density points are selected as initial centers.

III. PROPOSED ALGORITHM

In this section, the detailed description of proposed algorithm is given. The algorithm consists of three

parts. The first part is maximum distance approach, the potential k points are selected which are having

maximum distance replacement between them from the dataset. The next part is to find high-density k

points by using the closest neighbor approach. In the last part the 2k data points are merged until the

desired number of clusters does not reach. The steps included into algorithms are adorned into three

parts as follows:

Maximum Distance Replacement Approach: In the starting k consequent data points are selected

from the dataset. Then, apply the maximum distance replacement approach on the selected data points.

In the end, the resultant k potential initial centers will come from it. The k potential will go to merging

step with the high-density k centers.

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

High-Density Approach: In this k data points are selected as high-density approach. The approach is

calculates the CCR(c-th closest radius) for every data point, from which one minimum is taken as the k

potential centers for the K-Means initialization.

Merge Stage: Collect all the potential 2k centers are tries to merge close centers until the input number

of clusters will not reached.

A. Maximum Distance Approach: Let, assume S is the dataset and n is the number of data points

n

where, k as the number of clusters. Consider, M is potential initial centers and

S = Y

( i)

i =1

represented as

(Y

,Y

,.....

Y )

k

k +1

and M dis (Y

k +1

, Y 1 ), dis (Y

k +1

,Y

),... dis (Y

k +1

,Y k )

k +1

B. High-Density Approach: Lets consider, the c-th closet point to Y j as CCP (j, c) and all the c closet

neighbors to Y as CCN (j, c), where

j

CCN ( j , c ) =

(CCP ( j , i ))

i =1

Then, we calculate the c-closet data points radius (CCR) indicates that the data point is present in dense

area or not. In this we are taking the mean distance to all the c closet data points of it and is calculated as

follows:

Yi

dis

(Y , Y ) =

j

d =0

(Y dj Y id )

Where, m indicates the dimensions of data point and c indicates division of data point in the class done by

experts.

C. Merge Stage: Merge the clusters having minimum Euclidean distance and update the clusters until

desired number of clusters does not reach.

As in the selection process we are choosing centres from the high density points and maximum distance

replacement approach. Both the steps give the potential initial centres from which final initial centres are

selected. The merging step shrinks the potential centres which are minimum distance with each other.

Input: n indicates the number of data points and k is number of clusters and dataset S =

(Y i )

i =1

where c

Output: Initial cluster centers IC =

(Y i )

i =1

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

Step1: Max distance replacement potential initial points.

Step1.1: Select k points consecutively from starting i.e. M =

Step1.2: For every

(Y ,Y

1

,.....Y k ) .

Step2.1: Get distance matrix D and initialize RL(set of remaining list which has not removed or

selected) with S.

Step2.2: For each point

Step2.3: Find out the data point which has the min CNR, add to IL(set of selected initial centers),

and delete it and its all c closest neighbors from RL.

Step2.4: Go to step 2.1 until RL is empty.

Step3: Merge potential centers.

Step3.1: Place all potential points acquired for Step1 and Step 2 in IC.

Step3.2: Calculate distance all data point in IC and select the min distance merge with update

centre in C.

Step3.3: Go to step 3.2 until IC=k

Step4: Then, IC is feeded to K-means as initial centers run up to centers do not change.

End

IV. EXPERIMENT AND DISCUSSION

In the study, proposed algorithm was developed in Java programming via Eclipse IDE Tool and run on a

computer with 2.5 GHz Intel Core i5 processor, 4GB 1600MHz DDR3 on Mac Book Pro OS X Yosemite

Version 10.10 System.

A. Description of Datasets

Our experiments contains of three real datasets taken from UCI dataset repository. The Iris datasets

contains 150 objects in 5 dimensions with all values are preprocessed and real with no missing values.

The classification of iris data into 3 classes with 50 objects each that was given by experts. The Climate

Model Simulation Crashes dataset contains 540 objects in 21 dimensions with all values are preprocessed

and real with no missing values. The Seeds data consists of 210 objects in 8 dimensions with all values

are preprocessed and real with no missing values [11]. All the datasets are described in Table 1.

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

Table 1: Description of Datasets

S. NO.

1

2

3

DATASETS

IRIS PLANT

CLIMATE MODEL SIMULATION CRASHES

SEEDS

INSTANCES ATTRIBUTES

150

5

540

21

210

8

To compare our method, we use three other popular techniques. The first method is one of the wellknown techniques of initial centers known as K-Means. Secondly, simple technique of selecting of initial

centers from data points only called as K-Medoids. Thirdly, the technique is the extension of K-Means

known as K-Means++.

C. Validity Measures

We use four cluster validity measures i.e. Root Mean Square Error (RMSE), Sum of Square Error (SSE), SD

Validity Index (SD index), Davies - Bouldin Index (DB index) and iteration speed after selection of initial

centers how much time to get the optimal structure of clustering for our experiments.

1. RMSE: The Root Mean Square Error represents the mean of sum of square error. The fewer Root

mean square error value indicates the better cluster structure.

m

xi c j

RMSE =

x X ,c C

i

i =1 j =1

Where, X Number of data points, C k cluster centers, k- Number of clusters, m-Number of dimensions

2. SSE: The SSE calculates the squared distance of all data points to the nearest centers. The smaller

value of SSE shows the result close to optimal clustering structure.

k

SSE =

i =1

x j ci

x jci

x X ,c C

j

3. SD Validity Index: SD index deals not the homogeneity between the members of same clusters, but

also heterogeneity among clusters. A low SD index shows efficient clustering configuration.

SDIndex =

Where,

(C i )

1

+

k i =1 (( X ))

(C ) ---Variance of

i

between clusters,

min

max

min i =1

j =1, j i

C i C j

max

---Maximum distance

4. DB Index: DB Index calculates the mean of compactness between clusters and identify most similar

one. The lesser value of DB index indicates preferred cluster configuration.

49 | 2015, IJAFRC All Rights Reserved

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

DBIndex =

1 nj

j k =1

Where,

= max (S kl )k , l = 1,2,... n j k l ,

dis

S

kl

---Similarity of clusters,

disp

kl

= d (vk , vl ) and

kl

disp + disp

dis

k

kl

disp

kl

d (x , v )

k x

ck

dis

kl

---Dissimilarity of cluster

The iteration speed is also compared from the existed techniques. The speed has to be less to acquire

final cluster centers.

D. Results and Discussion

In this section, we show the results of experiment performed on the proposed method and compare it

with three well known existing methods using three standard datasets and five validity measures. Here,

all the results are given in Table II, Table III, Table IV, Figure I, Figure II and Figure III below where we

assume that there are three clusters (k = 3) in each dataset. All the values of RMSE and DB are dividing by

100 and multiplied by 100 respectively in the Figures for effective visualization. In all the comparison

tables the bold value shows the better results.

Table 2: Comparison of Results on Iris Plant Dataset

QUALITY

MEASURE

RMSE

K-MEANS

K-MEDOIDS

K-MEANS++

122.27

113.34

97.34

PROPOSED

METHOD

97.32

SSE

3.191

2.180

1.419

1.414

SD INDEX

16.5

8.1

5.9

3.1

DB INDEX

0.09

0.08

0.01

0.08

ITERATION

29700

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

QUALITY

MEASURE

K-MEANS

K-MEDOIDS

K-MEANS++

PROPOSED

METHOD

RMSE

313.73

381.90

313.21

313.21

SSE

7.54

12.79

8.79

8.97

SD INDEX

2.76

4.11

3.06

2.56

DB INDEX

0.021

0.022

0.012

0.025

ITERATION

33390

QUALITY

MEASURE

K-MEANS

K-MEDOIDS

K-MEANS++

PROPOSED

METHOD

RMSE

644.65

744.84

645.07

644.64

SSE

2.65

4.18

2.70

2.33

SD INDEX

4.12

1.28

4.19

4.06

DB INDEX

0.020

0.010

0.020

0.017

ITERATION

21

200340

21

13

35

30

25

K-MEANS

20

K-MEDOIDS

15

K-MEANS++

10

PROPOSED

5

0

RMSE

SSE

SD INDEX

DB INDEX

ITERATION

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

45

40

35

30

25

20

15

10

5

0

K-MEANS

K-MEDOIDS

K-MEANS++

PROPOSED

RMSE

SSE

SD INDEX

DB INDEX

ITERATION

35

30

25

K-MEANS

20

K-MEDOIDS

15

10

K-MEANS++

PROPOSED

0

RMSE

SSE

SD INDEX

DB INDEX

ITERATION

In the above tables, K-Means selects the initial centers randomly from the dataset; K-Medoids also select

the initial medoids randomly. But the difference between K-Means, K-Medoids is that K-Medoids select

final centers from the datasets only, on the other hand K-Means always take the mean of data points

present in the cluster. K-Means++ is the refinement of K-Means which selects the initial centers by using

the probability function.

We saw the measure of cluster validity on Iris, Seeds, and Climate Model Simulation Crashes datasets

with different number of clusters. Table II shows the proposed algorithm shows optimal results with

respect to RMSE, SSE, SD Validity Index as compare to existed techniques. The iteration time for

acquiring the final clusters is quiet less compare to K-Means and K-Medoids convergence speed, but

same in the case of K-Means++.In the case of DB index proposed algorithm is showing better results

compare to K-Means, K-Medoids but above this K-Means++ shows the best result. So, in the case of error

minimization and compactness or separation between clusters proposed algorithm produce cluster of

data in more efficient way. The assumption is proving now through experiments that the homogeneity

would increase within the clusters and heterogeneity would minimize between the clusters. In table III

the proposed is showing optimal results in SSE and SD index from K-Medoids and with K-Means++ the

result is equal. But, in K-Means show better configuration with all methods.RMSE and DB index indicates

effective than K-Medoids and K-Means, but equal with K-Means++.The iteration time is faster than all the

existed methods. Table IV shows effective error minimization and the iteration speed in case of proposed

52 | 2015, IJAFRC All Rights Reserved

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Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

algorithm as compare to existed techniques. The SD Validity index and DB index is better than the KMeans and K-Means++ but, best in the K-Medoids technique.

V. CONCLUSION AND FUTURE WORK

For getting effective clustering results from the clustering technique, the selection is quiet efficient. As

random selection of initial centers may lead to wrong clustering configuration and also maximized the

intra-cluster and minimized the inter-cluster distance. The existed partitioning clustering selection will

not effective enough in measured by evaluation metrics as compare to proposed algorithm. In this paper

an initial centers selection method is proposed that is based on dense area and maximum distance

replacement approach which leads to effective clustering configuration with some of datasets in term of

error minimization, homogeneity and heterogeneity of the clusters. The iteration speed is quiet faster or

equal to the existing technique. We through evaluation metrics test to evaluate our proposed method,

prove to get more efficient clustering results.

In the future, we shall test our proposed algorithm with high-dimensional datasets. We fix k value in the

test because the classification to class via labels was known initially. When we use this algorithm for data

which is not having the class labels then finding the labels is quiet a complex issue.

VI.

REFERENCES

[1]

A. K. Jain, M. N. Murty and P. J. Flynn, Data Clustering: A Review, Journal ACM Computing

Surveys (CSUR), Volume 31, Issue 3, pp. 264-323, 1999.

[2]

K. P. Soman, S. Diwaker and V. Ajay, Insight into Data mining: Theory and Practice, pp.17-18,

2006.

[3]

J. Chang, SDCC: A New Stable Double-Centroid Clustering Technique Based on K-Means for Nonspherical Patterns, Advances in Neural Networks, Springer Berlin Heidelberg, pp. 794-801, 2009.

[4]

Ye, Y., Huang, J. Z., Chen, X., Zhou, S., Williams, G., and Xu, X., Neighborhood density method for

selecting initial cluster centers in K-means clustering, Advances in Knowledge Discovery and

Data Mining, Springer Berlin Heidelberg, pp. 189-198, 2006.

[5]

Bishnu, P. S., and Bhattacherjee, V., Software fault prediction using quad tree-based k-means

clustering algorithm, IEEE Transactions on Knowledge and Data Engineering,volume 24, Issue 6,

pp. 1146-1150, 2012.

[6]

Lei, K., Wang, S., Song, W., and Li, Q., Size-Constrained Clustering Using an Initial Points Selection

Method, Knowledge Science, Engineering and Management, Springer Berlin Heidelberg, pp. 195205, 2013.

[7]

Lee, S. S., and Han, C. Y., Finding Good Initial Cluster Center by Using Maximum Average

Distance, Advances in Natural Language Processing, Springer Berlin Heidelberg, pp. 228-238,

2012.

[8]

Wang, X., Wang, C., and Shen, J., Semisupervised K-Means Clustering by Optimizing Initial

Cluster Centers, Web Information Systems and Mining, Springer Berlin Heidelberg, pp. 178-187,

2011.

www.ijafrc.org

Volume 2, Issue 8, August - 2015. ISSN 2348 4853, Impact Factor 1.317

[9]

Zhang, Y., and Cheng, E., An optimized method for selection of the initial centers of k-means

clustering, Integrated Uncertainty in Knowledge Modeling and Decision Making, Springer Berlin

Heidelberg, pp. 149-156, 2013.

[10]

Kovcs, F., Legny, C., and Babos, A., Cluster validity measurement techniques, 6th International

symposium of Hungarian researchers on computational intelligence, 2005.

[11]

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