Unsupervised Machine Learning, Clustering, K-Means

INTRODUCTION-
What is clustering?
 Clustering is the classification of objects into
different groups, or more precisely, the
partitioning of a data set into subsets
(clusters), so that the data in each subset
(ideally) share some common trait - often
according to some defined distance measure.

Types of clustering:
1. Hierarchical algorithms: these find successive clusters
using previously established clusters.
1. Agglomerative ("bottom-up"): Agglomerative algorithms
begin with each element as a separate cluster and merge
them into successively larger clusters.
2. Divisive ("top-down"): Divisive algorithms begin with the
whole set and proceed to divide it into successively smaller
clusters.
2. Partitional clustering: Partitional algorithms determine all
clusters at once. They include:
 K-means and derivatives
 Fuzzy c-means clustering
 QT clustering algorithm

Common Distance measures:
 Distance measure will determine how the similarity of two
elements is calculated and it will influence the shape of the
clusters.
They include:
1. The Euclidean distance (also called 2-norm distance) is
given by:
2. The Manhattan distance (also called taxicab norm or 1-
norm) is given by:

3.The maximum norm is given by:
4. The Mahalanobis distance corrects data for
different scales and correlations in the variables.
5. Inner product space: The angle between two
vectors can be used as a distance measure when
clustering high dimensional data
6. Hamming distance (sometimes edit distance)
measures the minimum number of substitutions
required to change one member into another.

K-MEANS CLUSTERING
 The k-means algorithm is an algorithm to cluster
n objects based on attributes into k partitions,
where k < n.
 It is similar to the
expectation-maximization algorithm for mixtures of
Gaussians in that they both attempt to find the
centers of natural clusters in the data.
 It assumes that the object attributes form a vector
space.

 An algorithm for partitioning (or clustering) N
data points into K disjoint subsets Sj
containing data points so as to minimize the
sum-of-squares criterion
where xn is a vector representing the the nth
data point and uj is the geometric centroid of
the data points in Sj.

 Simply speaking k-means clustering is an
algorithm to classify or to group the objects
based on attributes/features into K number of
group.
 K is positive integer number.
 The grouping is done by minimizing the sum
of squares of distances between data and the
corresponding cluster centroid.

How the K-Mean Clustering
algorithm works?

 Step 1: Begin with a decision on the value of k =
number of clusters .
 Step 2: Put any initial partition that classifies the
data into k clusters. You may assign the
training samples randomly,or systematically
as the following:
1.Take the first k training sample as single-
element clusters
2. Assign each of the remaining (N-k) training
sample to the cluster with the nearest centroid.
After each assignment, recompute the centroid of
the gaining cluster.

 Step 3: Take each sample in sequence and
compute its distance from the centroid of
each of the clusters. If a sample is not
currently in the cluster with the closest
centroid, switch this sample to that cluster and
update the centroid of the cluster gaining
the new sample and the cluster losing the
sample.
 Step 4 . Repeat step 3 until convergence is
achieved, that is until a pass through the
training sample causes no new assignments.

A Simple example showing the
implementation of k-means algorithm
(using K=2)

Step 1:
Initialization: Randomly we choose following two centroids
(k=2) for two clusters.
In this case the 2 centroid are: m1=(1.0,1.0) and
m2=(5.0,7.0).

Step 2:
 Thus, we obtain two clusters
containing:
{1,2,3} and {4,5,6,7}.
 Their new centroids are:

Step 3:
 Now using these centroids
we compute the Euclidean
distance of each object, as
shown in table.
 Therefore, the new
clusters are:
{1,2} and {3,4,5,6,7}
 Next centroids are:
m1=(1.25,1.5) and m2 =
(3.9,5.1)

 Step 4 :
The clusters obtained are:
{1,2} and {3,4,5,6,7}
 Therefore, there is no
change in the cluster.
 Thus, the algorithm comes
to a halt here and final
result consist of 2 clusters
{1,2} and {3,4,5,6,7}.

Real-Life Numerical Example
of K-Means Clustering
We have 4 medicines as our training data points object
and each medicine has 2 attributes. Each attribute
represents coordinate of the object. We have to
determine which medicines belong to cluster 1 and
which medicines belong to the other cluster.
Object
Attribute1 (X):
weight index
Attribute 2 (Y): pH
Medicine A 1 1
Medicine B 2 1
Medicine C 4 3
Medicine D 5 4

Step 1:
 Initial value of
centroids : Suppose
we use medicine A and
medicine B as the first
centroids.
 Let and c1 and c2
denote the coordinate
of the centroids, then
c1=(1,1) and c2=(2,1)

 Objects-Centroids distance : we calculate the
distance between cluster centroid to each object.
Let us use Euclidean distance, then we have
distance matrix at iteration 0 is
 Each column in the distance matrix symbolizes the
object.
 The first row of the distance matrix corresponds to the
distance of each object to the first centroid and the
second row is the distance of each object to the second
centroid.
 For example, distance from medicine C = (4, 3) to the
first centroid is , and its distance to the
second centroid is , is etc.

Step 2:
 Objects clustering : We
assign each object based
on the minimum distance.
 Medicine A is assigned to
group 1, medicine B to
group 2, medicine C to
group 2 and medicine D to
group 2.
 The elements of Group
matrix below is 1 if and
only if the object is
assigned to that group.

 Iteration-1, Objects-Centroids distances : The
next step is to compute the distance of all
objects to the new centroids.
 Similar to step 2, we have distance matrix at
iteration 1 is

 Iteration-1, Objects
clustering:Based on the new
distance matrix, we move the
medicine B to Group 1 while
all the other objects remain.
The Group matrix is shown
below
 Iteration 2, determine
centroids: Now we repeat step
4 to calculate the new centroids
coordinate based on the
clustering of previous iteration.
Group1 and group 2 both has
two members, thus the new
centroids are
and

 Iteration-2, Objects-Centroids distances :
Repeat step 2 again, we have new distance
matrix at iteration 2 as

 Iteration-2, Objects clustering: Again, we
assign each object based on the minimum
distance.
 We obtain result that . Comparing the
grouping of last iteration and this iteration reveals
that the objects does not move group anymore.
 Thus, the computation of the k-mean clustering
has reached its stability and no more iteration is
needed..

Object Feature1(X):
weight index
Feature2
(Y): pH
Group
(result)
Medicine A 1 1 1
Medicine B 2 1 1
Medicine C 4 3 2
Medicine D 5 4 2
We get the final grouping as the results as:

K-Means Clustering Visual Basic Code
Sub kMeanCluster (Data() As Variant, numCluster As Integer)
' main function to cluster data into k number of Clusters
' input:
' + Data matrix (0 to 2, 1 to TotalData);
' Row 0 = cluster, 1 =X, 2= Y; data in columns
' + numCluster: number of cluster user want the data to be clustered
' + private variables: Centroid, TotalData
' ouput:
' o) update centroid
' o) assign cluster number to the Data (= row 0 of Data)
Dim i As Integer
Dim j As Integer
Dim X As Single
Dim Y As Single
Dim min As Single
Dim cluster As Integer
Dim d As Single
Dim sumXY()
Dim isStillMoving As Boolean
isStillMoving = True
if totalData <= numCluster Then
'only the last data is put here because it designed to be interactive
Data(0, totalData) = totalData ' cluster No = total data
Centroid(1, totalData) = Data(1, totalData) ' X
Centroid(2, totalData) = Data(2, totalData) ' Y
Else
'calculate minimum distance to assign the new data
min = 10 ^ 10 'big number
X = Data(1, totalData)
Y = Data(2, totalData)
For i = 1 To numCluster

Do While isStillMoving
' this loop will surely convergent
'calculate new centroids
' 1 =X, 2=Y, 3=count number of data
ReDim sumXY(1 To 3, 1 To numCluster)
For i = 1 To totalData
sumXY(1, Data(0, i)) = Data(1, i) + sumXY(1, Data(0, i))
sumXY(2, Data(0, i)) = Data(2, i) + sumXY(2, Data(0, i))
Data(0, i))
sumXY(3, Data(0, i)) = 1 + sumXY(3, Data(0, i))
Next i
For i = 1 To numCluster
Centroid(1, i) = sumXY(1, i) / sumXY(3, i)
Centroid(2, i) = sumXY(2, i) / sumXY(3, i)
Next i
'assign all data to the new centroids
isStillMoving = False
For i = 1 To totalData
min = 10 ^ 10 'big number
X = Data(1, i)
Y = Data(2, i)
For j = 1 To numCluster
d = dist(X, Y, Centroid(1, j), Centroid(2, j))
If d < min Then
min = d
cluster = j
End If
Next j
If Data(0, i) <> cluster Then
Data(0, i) = cluster
isStillMoving = True
End If
Next i
Loop
End If
End Sub

Weaknesses of K-Mean Clustering
1. When the numbers of data are not so many, initial
grouping will determine the cluster significantly.
2. The number of cluster, K, must be determined before
hand. Its disadvantage is that it does not yield the same
result with each run, since the resulting clusters depend
on the initial random assignments.
3. We never know the real cluster, using the same data,
because if it is inputted in a different order it may
produce different cluster if the number of data is few.
4. It is sensitive to initial condition. Different initial condition
may produce different result of cluster. The algorithm
may be trapped in the local optimum.

Applications of K-Mean
Clustering
 It is relatively efficient and fast. It computes result
at O(tkn), where n is number of objects or points, k
is number of clusters and t is number of iterations.
 k-means clustering can be applied to machine
learning or data mining
 Used on acoustic data in speech understanding to
convert waveforms into one of k categories (known
as Vector Quantization or Image Segmentation).
 Also used for choosing color palettes on old
fashioned graphical display devices and Image
Quantization.

CONCLUSION
 K-means algorithm is useful for undirected
knowledge discovery and is relatively simple.
K-means has found wide spread usage in lot
of fields, ranging from unsupervised learning
of neural network, Pattern recognitions,
Classification analysis, Artificial intelligence,
image processing, machine vision, and many
others.

References
 Tutorial - Tutorial with introduction of Clustering Algorithms (k-means, fuzzy-c-means,
hierarchical, mixture of gaussians) + some interactive demos (java applets).
 Digital Image Processing and Analysis-byB.Chanda and D.Dutta Majumdar.
 H. Zha, C. Ding, M. Gu, X. He and H.D. Simon. "Spectral Relaxation for K-means
Clustering", Neural Information Processing Systems vol.14 (NIPS 2001). pp. 1057-
1064, Vancouver, Canada. Dec. 2001.
 J. A. Hartigan (1975) "Clustering Algorithms". Wiley.
 J. A. Hartigan and M. A. Wong (1979) "A K-Means Clustering Algorithm", Applied
Statistics, Vol. 28, No. 1, p100-108.
 D. Arthur, S. Vassilvitskii (2006): "How Slow is the k-means Method?,"
 D. Arthur, S. Vassilvitskii: "k-means++ The Advantages of Careful Seeding" 2007
Symposium on Discrete Algorithms (SODA).
 www.wikipedia.com

Unsupervised Machine Learning, Clustering, K-Means

Unsupervised Machine Learning, Clustering, K-Means

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