What Is Cluster Analysis?

Cluster Analysis
1. What is Cluster Analysis?

2. Types of Data in Cluster Analysis
3. A Categorization of Major Clustering Methods
4. Partitioning Methods
5. Hierarchical Methods
6. Density-Based Methods
7. Grid-Based Methods
8. Model-Based Methods
9. Clustering High-Dimensional Data
10. Constraint-Based Clustering
11. Outlier Analysis
12. Summary
May 24, 2015
Data Mining: Concepts and

Techniques
What is Cluster Analysis?
Cluster: a collection of data objects
Similar to one another within the same cluster
Dissimilar to the objects in other clusters
Cluster analysis
Finding similarities between data according to the

characteristics found in the data and grouping
similar data objects into clusters
Unsupervised learning: no predefined classes
Typical applications
As a stand-alone tool to get insight into data

distribution
As a preprocessing step for other algorithms
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Techniques
Clustering: Rich Applications and

Multidisciplinary Efforts
Pattern Recognition
Spatial Data Analysis
Create thematic maps in GIS by clustering feature

spaces
Detect spatial clusters or for other spatial mining

tasks
Image Processing
Economic Science (especially market research)
WWW
Document classification
Cluster Weblog data to discover groups of similar

access patterns
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Techniques
Examples of Clustering
Applications
Marketing: Help marketers discover distinct groups in their

customer bases, and then use this knowledge to develop
targeted marketing programs
Land use: Identification of areas of similar land use in an

earth observation database
Insurance: Identifying groups of motor insurance policy

holders with a high average claim cost
City-planning: Identifying groups of houses according to their

house type, value, and geographical location
Earth-quake studies: Observed earth quake epicenters

should be clustered along continent faults
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Techniques
Quality: What Is Good

Clustering?
A good clustering method will produce high quality

clusters with
high intra-class similarity
low inter-class similarity
The quality of a clustering result depends on both

the similarity measure used by the method and its
implementation
The quality of a clustering method is also measured

by its ability to discover some or all of the hidden
patterns
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Techniques
Measure the Quality of

Clustering
Dissimilarity/Similarity metric: Similarity is expressed

in terms of a distance function, typically metric: d(i, j)
There is a separate quality function that measures

the goodness of a cluster.
The definitions of distance functions are usually very

different for interval-scaled, boolean, categorical,
ordinal ratio, and vector variables.
Weights should be associated with different variables

based on applications and data semantics.
It is hard to define similar enough or good enough
the answer is typically highly subjective.
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Techniques
Requirements of Clustering in Data

Mining
Scalability
Ability to deal with different types of attributes
Ability to handle dynamic data
Discovery of clusters with arbitrary shape
Minimal requirements for domain knowledge to

determine input parameters
Able to deal with noise and outliers
Insensitive to order of input records
High dimensionality
Incorporation of user-specified constraints
Interpretability and usability
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Techniques
Chapter 7. Cluster Analysis

12. Summary
May 24, 2015

Techniques
Data Structures
Data matrix
(two modes)
x11
...
x
i1
...
x
n1
Dissimilarity matrix
(one mode)
May 24, 2015
...
x1f
...
x1p
...
...
...
...
xif
...
...
xip
...
...
... xnf
...
...
...
xnp
d(2,1)
0
d(3,1) d ( 3,2) 0
:
:
:
d ( n,1) d ( n,2) ...

Techniques
... 0
9
Type of data in clustering analysis
Interval-scaled variables
Binary variables
Nominal, ordinal, and ratio variables
Variables of mixed types
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Techniques
10
Interval-valued variables
Standardize data
Calculate the mean absolute deviation:

s f 1n (| x1 f m f | | x2 f m f | ... | xnf m f |)
where
...
xnf )
Calculate the standardized measurement (zscore)
m f 1n (x1 f x2 f
xif m f
zif
sf
Using mean absolute deviation is more robust than

using standard deviation
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Techniques
11
Similarity and Dissimilarity

Between Objects
Distances are normally used to measure the

similarity or dissimilarity between two data
objects
q
q
Some popular
d (i, j) q (| ones
x x |include:
| x x Minkowski
| q ... | x x |distance:
)
i1
j1
i2
j2
ip
jp
where i = (xi1, xi2, , xip) and j = (xj1, xj2, , xjp)

are two p-dimensional data objects, and q is a
positive integer
If q = 1, d isd (iManhattan
, j) | x x | |distance
x x | ... | x x |
May 24, 2015
i1
j1
i2
j2

Techniques
ip
jp
12
Similarity and Dissimilarity

Between Objects (Cont.)
If q = 2, d is Euclidean distance:
d (i, j) (| x x | 2 | x x | 2 ... | x x |2 )
i1
j1
i2
j2
ip
jp
Properties
d(i,j) 0
d(i,i) = 0
d(i,j) = d(j,i)
d(i,j) d(i,k) + d(k,j)
Also, one can use weighted distance, parametric

Pearson product moment correlation, or other
disimilarity measures
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Techniques
13
Binary Variables
A contingency table for

binary data
Object i
Distance measure for

symmetric binary variables:
1
a
Jaccard coefficient (similarity
0
b
0
c
d
sum a c b d
d (i, j)
Distance measure for

asymmetric binary variables:
Object j
d (i, j)
bc
a bc
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simJaccard (i, j)
Techniques
cd
p
bc
a bc d
measure for asymmetric

binary variables):
sum
a b
a
a bc
14
Dissimilarity between Binary

Variables
Example
Name
Jack
Mary
Jim
Gender
M
F
M
Fever
Y
Y
Y
Cough
N
N
P
Test-1
P
P
N
Test-2
N
N
N
Test-3
N
P
N
Test-4
N
N
N
gender is a symmetric attribute

the remaining attributes are asymmetric binary
let the values Y and P be set to 1, and the value N be set
to 0 d ( jack , mary ) 0 1 0.33
2 01
11
d ( jack , jim )
0.67
111
1 2
d ( jim , mary )
0.75
11 2
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Techniques
15
Nominal Variables
A generalization of the binary variable in that it can

take more than 2 states, e.g., red, yellow, blue, green
Method 1: Simple matching
m: # of matches, p: total # of variables

m
d (i, j) p
p
Method 2: use a large number of binary variables
creating a new binary variable for each of the M

nominal states
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Techniques
16
Ordinal Variables
An ordinal variable can be discrete or continuous
Order is important, e.g., rank
Can be treated like interval-scaled

rif {1,..., M f }
replace x by their rank
if
map the range of each variable onto [0, 1] by

replacing i-th object in the f-th variable by
zif
rif 1
M f 1
compute the dissimilarity using methods for

interval-scaled variables
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Techniques
17
Ratio-Scaled Variables
Ratio-scaled variable: a positive measurement on a

nonlinear scale, approximately at exponential scale,
such as AeBt or Ae-Bt
Methods:
treat them like interval-scaled variablesnot a

good choice! (why?the scale can be distorted)
apply logarithmic transformation

yif = log(xif)
treat them as continuous ordinal data treat their

rank as interval-scaled
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Techniques
18
Variables of Mixed Types
A database may contain all the six types of variables

symmetric binary, asymmetric binary, nominal,
ordinal, interval and ratio
One may use a weighted formula to combine their
effects
p ( f )d ( f )
d (i, j )
f 1 ij
p
f 1
ij
(f)
ij
f is binary or nominal:
dij(f) = 0 if xif = xjf , or dij(f) = 1 otherwise
f is interval-based: use the normalized distance
f is ordinal or ratio-scaled
compute ranks r and
if
and treat z as interval-scaled
if
z r 1
if
if
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Techniques
19
Vector Objects
Vector objects: keywords in documents,

gene features in micro-arrays, etc.
Broad applications: information retrieval,

biologic taxonomy, etc.
Cosine measure
A variant: Tanimoto coefficient
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Techniques
20

12. Summary
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Techniques
21
Major Clustering Approaches

(I)
Partitioning approach:
Construct various partitions and then evaluate them by some

criterion, e.g., minimizing the sum of square errors
Typical methods: k-means, k-medoids, CLARANS
Hierarchical approach:
Create a hierarchical decomposition of the set of data (or objects)

using some criterion
Typical methods: Diana, Agnes, BIRCH, ROCK, CAMELEON
Density-based approach:
Based on connectivity and density functions
Typical methods: DBSACN, OPTICS, DenClue
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Techniques
22
Major Clustering Approaches

(II)
Grid-based approach:
based on a multiple-level granularity structure
Typical methods: STING, WaveCluster, CLIQUE
Model-based:
A model is hypothesized for each of the clusters and tries to find the
best fit of that model to each other
Typical methods: EM, SOM, COBWEB
Frequent pattern-based:
Based on the analysis of frequent patterns
Typical methods: pCluster
User-guided or constraint-based:
Clustering by considering user-specified or application-specific

constraints
Typical methods: COD (obstacles), constrained clustering
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Techniques
23
Typical Alternatives to Calculate the

Distance between Clusters
Single link: smallest distance between an element in one

cluster and an element in the other, i.e., dis(K i, Kj) = min(tip, tjq)
Complete link: largest distance between an element in one

cluster and an element in the other, i.e., dis(K i, Kj) = max(tip, tjq)
Average: avg distance between an element in one cluster and

an element in the other, i.e., dis(K i, Kj) = avg(tip, tjq)
Centroid: distance between the centroids of two clusters, i.e.,

dis(Ki, Kj) = dis(Ci, Cj)
Medoid: distance between the medoids of two clusters, i.e.,

dis(Ki, Kj) = dis(Mi, Mj)
Medoid: one chosen, centrally located object in the cluster
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Techniques
24
Centroid, Radius and Diameter of a

Cluster (for numerical data sets)
Centroid: the middle of a cluster
Cm
iN 1(t
ip
Radius: square root of average distance from any point of

the cluster to its centroid
N (t cm ) 2
Rm i 1 ip
N
Diameter: square root of average mean squared distance

between all pairs of points in the cluster
N N (t t ) 2
Dm i 1 i 1 ip iq
N ( N 1)
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Techniques
25

12. Summary
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Techniques
26
Partitioning Algorithms: Basic

Concept
Partitioning method: Construct a partition of a database D of n

objects into a set of k clusters, s.t., min sum of squared
distance
k
2
m1tmiKm (Cm tmi )
Given a k, find a partition of k clusters that optimizes the

chosen partitioning criterion
Global optimal: exhaustively enumerate all partitions
Heuristic methods: k-means and k-medoids algorithms
k-means (MacQueen67): Each cluster is represented by the

center of the cluster
k-medoids or PAM (Partition around medoids) (Kaufman &

Rousseeuw87): Each cluster is represented by one of the
objects in the cluster
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Techniques
27
The K-Means Clustering Method
Given k, the k-means algorithm is implemented

in four steps:
Partition objects into k nonempty subsets
Compute seed points as the centroids of the

clusters of the current partition (the centroid
is the center, i.e., mean point, of the cluster)
Assign each object to the cluster with the

nearest seed point
Go back to Step 2, stop when no more new

assignment
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Techniques
28
The K-Means Clustering Method
Example
10
9
8
7
6
5
10
10
4
3
2
1
0
0
K=2
Arbitrarily choose
K object as initial
cluster center
10
Assign
each
objects
to
most
similar
center
3
2
1
0
0
10
4
3
2
1
0
0
reassign
10
10
2
1
0
0
10
reassign
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Update
the
cluster
means
10
Update
the
cluster
means

Techniques
4
3
2
1
0
0
10
29
Comments on the K-Means Method
Strength: Relatively efficient: O(tkn), where n is # objects, k is

# clusters, and t is # iterations. Normally, k, t << n.
Comparing: PAM: O(k(n-k)2 ), CLARA: O(ks2 + k(n-k))
Comment: Often terminates at a local optimum. The global

optimum may be found using techniques such as:
deterministic annealing and genetic algorithms
Weakness
Applicable only when mean is defined, then what about

categorical data?
Need to specify k, the number of clusters, in advance
Unable to handle noisy data and outliers
Not suitable to discover clusters with non-convex shapes
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Techniques
30
Variations of the K-Means Method
A few variants of the k-means which differ in
Selection of the initial k means
Dissimilarity calculations
Strategies to calculate cluster means
Handling categorical data: k-modes (Huang98)
Replacing means of clusters with modes
Using new dissimilarity measures to deal with categorical objects
Using a frequency-based method to update modes of clusters
A mixture of categorical and numerical data: k-prototype method
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Techniques
31
What Is the Problem of the K-Means

Method?
The k-means algorithm is sensitive to outliers !
Since an object with an extremely large value may

substantially distort the distribution of the data.
K-Medoids: Instead of taking the mean value of the object in

a cluster as a reference point, medoids can be used, which is
the most centrally located object in a cluster.
10
10
0
0
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10

Techniques
10
32
The K-Medoids Clustering Method
Find representative objects, called medoids, in clusters
PAM (Partitioning Around Medoids, 1987)
starts from an initial set of medoids and iteratively

replaces one of the medoids by one of the non-medoids
if it improves the total distance of the resulting clustering
PAM works effectively for small data sets, but does not
scale well for large data sets
CLARA (Kaufmann & Rousseeuw, 1990)
CLARANS (Ng & Han, 1994): Randomized sampling
Focusing + spatial data structure (Ester et al., 1995)
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Techniques
33
A Typical K-Medoids Algorithm (PAM)

Total Cost = 20
10
10
10
6
5
4
3
2
1
0
0
K=2
10
Arbitrar
y
choose
k object
as
initial
medoid
s
Assign
each
remaini
ng
object
to
nearest
medoid
s
6
5
4
3
2
1
0
0
10
Total Cost = 26
10
Do loop
Until no
change
6
5
4
3
2
1
0
0
10
Compute
total cost
of
swapping
Swapping
O and
Oramdom
If quality is
improved.
7
6
5
4
10
Randomly select a
nonmedoid
object,Oramdom
8
7
6
5
4
0
1
2
3
4
5
6
7
8
9
10
Data
Mining:
Concepts
and
Techniques
May 24, 2015
10
34
PAM (Partitioning Around Medoids)

(1987)
PAM (Kaufman and Rousseeuw, 1987), built in Splus
Use real object to represent the cluster
Select k representative objects arbitrarily
For each pair of non-selected object h and selected

object i, calculate the total swapping cost TCih
For each pair of i and h,
If TCih < 0, i is replaced by h
Then assign each non-selected object to the

most similar representative object
repeat steps 2-3 until there is no change
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Techniques
35
PAM Clustering: Total swapping cost

TCih=jCjih
10
10
8
7
8
7
6
5
4
3
6
5
h
i
4
3
0
0
10
Cjih = d(j, h) - d(j, i)
Cjih = 0
0
10
10
10
7
6
5
4
3
Cjih and
= d(j, h) - d(j, t)
Cjih = d(j, t) - d(j, i) Data Mining: Concepts
0
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10
Techniques
10
36
What Is the Problem with PAM?
Pam is more robust than k-means in the presence of

noise and outliers because a medoid is less
influenced by outliers or other extreme values than a
mean
Pam works efficiently for small data sets but does

not scale well for large data sets.
O(k(n-k)2 ) for each iteration
where n is # of data,k is # of clusters
Sampling based method,

CLARA(Clustering LARge Applications)
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Techniques
37
CLARA (Clustering Large Applications)

(1990)
CLARA (Kaufmann and Rousseeuw in 1990)
Built in statistical analysis packages, such as S+
It draws multiple samples of the data set, applies PAM on

each sample, and gives the best clustering as the output
Strength: deals with larger data sets than PAM
Weakness:
Efficiency depends on the sample size
A good clustering based on samples will not

necessarily represent a good clustering of the whole
data set if the sample is biased
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Techniques
38
CLARANS (Randomized CLARA)

(1994)
CLARANS (A Clustering Algorithm based on Randomized

Search) (Ng and Han94)
CLARANS draws sample of neighbors dynamically
The clustering process can be presented as searching a

graph where every node is a potential solution, that is, a
set of k medoids
If the local optimum is found, CLARANS starts with new

randomly selected node in search for a new local optimum
It is more efficient and scalable than both PAM and CLARA
Focusing techniques and spatial access structures may

further improve its performance (Ester et al.95)
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Techniques
39

12. Summary
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Techniques
40
Hierarchical Clustering
Use distance matrix as clustering criteria. This

method does not require the number of clusters k
as an input, but needs a termination condition
Step 0
a
b
Step 1
Step 2 Step 3 Step 4
ab
abcde
cde
de
e
Step 4
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agglomerative
(AGNES)
Step 3
Step 2 Step 1 Step 0

Techniques
divisive
(DIANA)
41
AGNES (Agglomerative Nesting)
Introduced in Kaufmann and Rousseeuw (1990)
Implemented in statistical analysis packages, e.g.,

Splus
Use the Single-Link method and the dissimilarity

matrix.
Merge nodes that have the least dissimilarity
Go on in a non-descending fashion
10
10
10
Eventually all nodes belong to the same cluster
0
0
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10
0
0
10

Techniques
10
42
Dendrogram: Shows How the Clusters are Merged
Decompose data objects into a several levels of nested

partitioning (tree of clusters), called a dendrogram.
A clustering of the data objects is obtained by cutting the
dendrogram at the desired level, then each connected
component forms a cluster.
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Techniques
43
DIANA (Divisive Analysis)
Introduced in Kaufmann and Rousseeuw (1990)
Implemented in statistical analysis packages, e.g.,

Splus
Inverse order of AGNES
Eventually each node forms a cluster on its own

10
10
10
0
0
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10
0
0
10

Techniques
10
44
Recent Hierarchical Clustering

Methods
Major weakness of agglomerative clustering methods
do not scale well: time complexity of at least O(n2),

where n is the number of total objects
can never undo what was done previously
Integration of hierarchical with distance-based

clustering
BIRCH (1996): uses CF-tree and incrementally

adjusts the quality of sub-clusters
ROCK (1999): clustering categorical data by neighbor

and link analysis
CHAMELEON (1999): hierarchical clustering using

dynamic modeling Data Mining: Concepts and
May 24, 2015
Techniques
45
BIRCH (1996)
Birch: Balanced Iterative Reducing and Clustering using

Hierarchies (Zhang, Ramakrishnan & Livny, SIGMOD96)
Incrementally construct a CF (Clustering Feature) tree, a

hierarchical data structure for multiphase clustering
Phase 1: scan DB to build an initial in-memory CF tree

(a multi-level compression of the data that tries to
preserve the inherent clustering structure of the data)
Phase 2: use an arbitrary clustering algorithm to

cluster the leaf nodes of the CF-tree
Scales linearly: finds a good clustering with a single scan

and improves the quality with a few additional scans
Weakness: handles only numeric data, and sensitive to

the order of the data record.
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Techniques
46
Clustering Feature Vector in

BIRCH
Clustering Feature: CF = (N, LS, SS)
N: Number of data points
LS: Ni=1=Xi
SS: Ni=1=Xi2
CF = (5, (16,30),(54,190))
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Techniques
(3,4)
(2,6)
(4,5)
(4,7)
(3,8)
47
CF-Tree in BIRCH
Clustering feature:
summary of the statistics for a given subcluster: the 0-th, 1st and
2nd moments of the subcluster from the statistical point of view.
registers crucial measurements for computing cluster and utilizes

storage efficiently
A CF tree is a height-balanced tree that stores the clustering

features for a hierarchical clustering
A nonleaf node in a tree has descendants or children
The nonleaf nodes store sums of the CFs of their children
A CF tree has two parameters
Branching factor: specify the maximum number of children.
threshold: max diameter of sub-clusters stored at the leaf nodes
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Techniques
48
The CF Tree Structure

Root
B=7
CF1
CF2 CF3
CF6
L=6
child1
child2 child3
child6
CF1
Non-leaf node
CF2 CF3
CF5
child1
child2 child3
child5
Leaf node
prev
CF1 CF2
May 24, 2015
Leaf node
CF6 next
prev
CF1 CF2

Techniques
CF4 next
49
Clustering Categorical Data: The ROCK

Algorithm
ROCK: RObust Clustering using linKs

S. Guha, R. Rastogi & K. Shim, ICDE99
Major ideas
Use links to measure similarity/proximity
Not distance-based
2
2
Computational complexity:O( n nm m n log n )
m a
Algorithm: sampling-based clustering
Draw random sample
Cluster with links
Label data in disk
Experiments
Congressional voting, mushroom data
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Techniques
50
Similarity Measure in ROCK
Traditional measures for categorical data may not work well,

e.g., Jaccard coefficient
Example: Two groups (clusters) of transactions
C1. <a, b, c, d, e>: {a, b, c}, {a, b, d}, {a, b, e}, {a, c,
d}, {a, c, e}, {a, d, e}, {b, c, d}, {b, c, e}, {b, d, e}, {c,
d, e}
C2. <a, b, f, g>: {a, b, f}, {a, b, g}, {a, f, g}, {b, f, g}
Jaccard co-efficient may lead to wrong clustering result
C1: 0.2 ({a, b, c}, {b, d, e}} to 0.5 ({a, b, c}, {a, b, d})
C1 & C2: could be as high as 0.5 ({a, b, c}, {a, b, T
f})
1 T2
Sim( T , T )
Jaccard co-efficient-based similarity function: 1 2
T1 T2
{c{c,
} d, e} 1
Ex. LetSim
T1 (=T {a,
b, c}, T2 =
1, T 2 )
0.2
{a, b, c, d , e}
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Techniques
51
Link Measure in ROCK
Links: # of common neighbors
C1 <a, b, c, d, e>: {a, b, c}, {a, b, d}, {a, b, e}, {a, c, d}, {a,
c, e}, {a, d, e}, {b, c, d}, {b, c, e}, {b, d, e}, {c, d, e}
C2 <a, b, f, g>: {a, b, f}, {a, b, g}, {a, f, g}, {b, f, g}
Let T1 = {a, b, c}, T2 = {c, d, e}, T3 = {a, b, f}
link(T1, T2) = 4, since they have 4 common neighbors
link(T1, T3) = 3, since they have 3 common neighbors
{a, c, d}, {a, c, e}, {b, c, d}, {b, c, e}
{a, b, d}, {a, b, e}, {a, b, g}
Thus link is a better measure than Jaccard coefficient
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Techniques
52
CHAMELEON: Hierarchical Clustering

Using Dynamic Modeling (1999)
CHAMELEON: by G. Karypis, E.H. Han, and V. Kumar99
Measures the similarity based on a dynamic model
Two clusters are merged only if the interconnectivity and

closeness (proximity) between two clusters are high relative to
the internal interconnectivity of the clusters and closeness of
items within the clusters
Cure ignores information about interconnectivity of the

objects, Rock ignores information about the closeness of two
clusters
A two-phase algorithm
1.
2.
Use a graph partitioning algorithm: cluster objects into a large

number of relatively small sub-clusters
Use an agglomerative hierarchical clustering algorithm: find the
genuine clusters by repeatedly combining these sub-clusters
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Techniques
53
Overall Framework of
CHAMELEON
Construct
Partition the Graph
Sparse Graph
Data Set
Merge Partition
Final Clusters
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Techniques
54
CHAMELEON (Clustering Complex

Objects)
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55

12. Summary
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Techniques
56
Density-Based Clustering Methods
Clustering based on density (local cluster criterion),

such as density-connected points
Major features:
Discover clusters of arbitrary shape
Handle noise
One scan
Need density parameters as termination condition
Several interesting studies:
DBSCAN: Ester, et al. (KDD96)
OPTICS: Ankerst, et al (SIGMOD99).
DENCLUE: Hinneburg & D. Keim (KDD98)
CLIQUE: Agrawal, et al. (SIGMOD98) (more gridbased)
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Techniques
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Density-Based Clustering: Basic

Concepts
Two parameters:
Eps: Maximum radius of the neighbourhood
MinPts: Minimum number of points in an Epsneighbourhood of that point
NEps(p):
Directly density-reachable: A point p is directly

density-reachable from a point q w.r.t. Eps, MinPts if
{q belongs to D | dist(p,q) <= Eps}
p belongs to NEps(q)
core point condition:
MinPts = 5
Eps = 1 cm
|NEps (q)| >=

MinPts
May 24, 2015
Techniques
58
Density-Reachable and Density-Connected
Density-reachable:
A point p is density-reachable
from a point q w.r.t. Eps, MinPts if
there is a chain of points p1, ,
pn, p1 = q, pn = p such that pi+1 is
directly density-reachable from pi
Density-connected
A point p is density-connected to
a point q w.r.t. Eps, MinPts if there
is a point o such that both, p and
q are density-reachable from o
w.r.t. Eps and MinPts
May 24, 2015

Techniques
p
p1
q
o
59
DBSCAN: Density Based Spatial

Clustering of Applications with Noise
Relies on a density-based notion of cluster: A

cluster is defined as a maximal set of densityconnected points
Discovers clusters of arbitrary shape in spatial
databases with noise
Outlier
Border
Eps = 1cm
Core
May 24, 2015
MinPts = 5

Techniques
60
DBSCAN: The Algorithm
Arbitrary select a point p
Retrieve all points density-reachable from p w.r.t.

Eps and MinPts.
If p is a core point, a cluster is formed.
If p is a border point, no points are densityreachable from p and DBSCAN visits the next point
of the database.
Continue the process until all of the points have

been processed.
May 24, 2015

Techniques
61
DBSCAN: Sensitive to
Parameters
May 24, 2015

Techniques
62
CHAMELEON (Clustering Complex

Objects)
May 24, 2015

Techniques
63
OPTICS: A Cluster-Ordering Method

(1999)
OPTICS: Ordering Points To Identify the Clustering

Structure
Ankerst, Breunig, Kriegel, and Sander (SIGMOD99)
Produces a special order of the database wrt its
density-based clustering structure
This cluster-ordering contains info equiv to the
density-based clusterings corresponding to a
broad range of parameter settings
Good for both automatic and interactive cluster
analysis, including finding intrinsic clustering
structure
Can be represented graphically or using
visualization techniques
May 24, 2015

Techniques
64
OPTICS: Some Extension from

DBSCAN
Index-based:
k = number of dimensions
N = 20
p = 75%
M = N(1-p) = 5
Complexity: O(kN2)
Core Distance
p1
Reachability Distance
o
p2
Max (core-distance (o), d (o, p))
o
MinPts = 5
r(p1, o) = 2.8cm. r(p2,o) =Data

4cm
Mining: Concepts and
= 3 cm
May 24, 2015
Techniques
65
Reachability
-distance
undefined
May 24, 2015

Techniques
Cluster-order
of the objects
66
Density-Based Clustering: OPTICS & Its

Applications
May 24, 2015

Techniques
67
DENCLUE: Using Statistical Density

Functions
DENsity-based CLUstEring by Hinneburg & Keim (KDD98)
Using statistical density functions:
f Gaussian ( x , y ) e
Major features
D
Gaussian
D
Gaussian
d ( x , y )2
2 2
( x ) i 1 e
N
d ( x , xi ) 2
2 2
( x, xi ) i 1 ( xi x) e
N
Solid mathematical foundation
Good for data sets with large amounts of noise
Allows a compact mathematical description of arbitrarily

shaped clusters in high-dimensional data sets
Significant faster than existing algorithm (e.g., DBSCAN)
But needs a large number of parameters
May 24, 2015

Techniques
d ( x , xi ) 2
2 2
68
Denclue: Technical Essence
Uses grid cells but only keeps information about grid

cells that do actually contain data points and
manages these cells in a tree-based access structure
Influence function: describes the impact of a data

point within its neighborhood
Overall density of the data space can be calculated

as the sum of the influence function of all data points
Clusters can be determined mathematically by

identifying density attractors
Density attractors are local maximal of the overall

density function
May 24, 2015

Techniques
69
Density Attractor
May 24, 2015

Techniques
70
Center-Defined and Arbitrary
May 24, 2015

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71

12. Summary
May 24, 2015

Techniques
72
Grid-Based Clustering Method
Using multi-resolution grid data structure
Several interesting methods
STING (a STatistical INformation Grid approach) by

Wang, Yang and Muntz (1997)
WaveCluster by Sheikholeslami, Chatterjee, and Zhang

(VLDB98)
A multi-resolution clustering approach using wavelet

method
CLIQUE: Agrawal, et al. (SIGMOD98)
May 24, 2015
On high-dimensional data (thus put in the section of

clustering high-dimensional data
Techniques
73
STING: A Statistical Information Grid

Approach
Wang, Yang and Muntz (VLDB97)

The spatial area area is divided into rectangular
cells
There are several levels of cells corresponding to
different levels of resolution
May 24, 2015

Techniques
74
The STING Clustering Method
Each cell at a high level is partitioned into a number of

smaller cells in the next lower level
Statistical info of each cell is calculated and stored
beforehand and is used to answer queries
Parameters of higher level cells can be easily calculated
from parameters of lower level cell
count, mean, s, min, max
type of distributionnormal, uniform, etc.
Use a top-down approach to answer spatial data queries
Start from a pre-selected layertypically with a small
number of cells
For each cell in the current level compute the confidence
interval
May 24, 2015

Techniques
75
Comments on STING
Remove the irrelevant cells from further consideration
When finish examining the current layer, proceed to

the next lower level
Repeat this process until the bottom layer is reached
Advantages:
Query-independent, easy to parallelize, incremental

update
O(K), where K is the number of grid cells at the

lowest level
Disadvantages:
All the cluster boundaries are either horizontal or

vertical, and no diagonal boundary is detected
May 24, 2015

Techniques
76
WaveCluster: Clustering by Wavelet Analysis

(1998)
Sheikholeslami, Chatterjee, and Zhang (VLDB98)
A multi-resolution clustering approach which applies wavelet

transform to the feature space
How to apply wavelet transform to find clusters
Summarizes the data by imposing a multidimensional

grid structure onto data space
These multidimensional spatial data objects are

represented in a n-dimensional feature space
Apply wavelet transform on feature space to find the

dense regions in the feature space
Apply wavelet transform multiple times which result in

clusters at different scales from fine to coarse
May 24, 2015

Techniques
77
Wavelet Transform
Wavelet transform: A signal processing technique that

decomposes a signal into different frequency sub-band
(can be applied to n-dimensional signals)
Data are transformed to preserve relative distance
between objects at different levels of resolution
Allows natural clusters to become more distinguishable
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Techniques
78
The WaveCluster Algorithm
Input parameters
# of grid cells for each dimension
the wavelet, and the # of applications of wavelet transform
Why is wavelet transformation useful for clustering?
Use hat-shape filters to emphasize region where points
cluster, but simultaneously suppress weaker information in
their boundary
Effective removal of outliers, multi-resolution, cost effective
Major features:
Complexity O(N)
Detect arbitrary shaped clusters at different scales
Not sensitive to noise, not sensitive to input order
Only applicable to low dimensional data
Both grid-based and density-based
May 24, 2015

Techniques
79
Quantization
& Transformation
First, quantize data into m-D grid

structure, then wavelet transform
a) scale 1: high resolution
b) scale 2: medium resolution
c) scale 3: low resolution
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12. Summary
May 24, 2015

Techniques
81
Model-Based Clustering
What is model-based clustering?

Attempt to optimize the fit between the given
data and some mathematical model
Based on the assumption: Data are generated by
a mixture of underlying probability distribution
Typical methods
Statistical approach
Machine learning approach
EM (Expectation maximization), AutoClass

COBWEB, CLASSIT
Neural network approach
May 24, 2015
SOM (Self-Organizing Feature Map)

Techniques
82
EM Expectation Maximization
EM A popular iterative refinement algorithm
An extension to k-means
Assign each object to a cluster according to a weight (prob.

distribution)
New means are computed based on weighted measures
General idea
Starts with an initial estimate of the parameter vector
Iteratively rescores the patterns against the mixture density

produced by the parameter vector
The rescored patterns are used to update the parameter

updates
Patterns belonging to the same cluster, if they are placed by

their scores in a particular component
Algorithm converges fast but may not be in global optima
May 24, 2015

Techniques
83
The EM (Expectation Maximization)

Algorithm
Initially, randomly assign k cluster centers

Iteratively refine the clusters based on two steps
Expectation step: assign each data point X to
i
cluster Ci with the following probability
Maximization step:
Estimation of model parameters
May 24, 2015

Techniques
84
Conceptual Clustering
Conceptual clustering
A form of clustering in machine learning
Produces a classification scheme for a set of
unlabeled objects
Finds characteristic description for each concept
(class)
COBWEB (Fisher87)
A popular a simple method of incremental
conceptual learning
Creates a hierarchical clustering in the form of a
classification tree
Each node refers to a concept and contains a
probabilistic description of that concept
May 24, 2015

Techniques
85
COBWEB Clustering
Method
A classification tree
May 24, 2015

Techniques
86
More on Conceptual Clustering
Limitations of COBWEB
The assumption that the attributes are independent of each

other is often too strong because correlation may exist
Not suitable for clustering large database data skewed tree

and expensive probability distributions
CLASSIT
an extension of COBWEB for incremental clustering of

continuous data
suffers similar problems as COBWEB
AutoClass (Cheeseman and Stutz, 1996)
Uses Bayesian statistical analysis to estimate the number of

clusters
Popular in industry
May 24, 2015

Techniques
87
Neural Network Approach
Neural network approaches

Represent each cluster as an exemplar, acting
as a prototype of the cluster
New objects are distributed to the cluster whose
exemplar is the most similar according to some
distance measure
Typical methods
SOM (Soft-Organizing feature Map)
Competitive learning
May 24, 2015
Involves a hierarchical architecture of several units

(neurons)
Neurons compete in a winner-takes-all fashion for
the object currently being presented
Techniques
88
Self-Organizing Feature Map (SOM)
SOMs, also called topological ordered maps, or Kohonen SelfOrganizing Feature Map (KSOMs)
It maps all the points in a high-dimensional source space into a 2 to

3-d target space, s.t., the distance and proximity relationship (i.e.,
topology) are preserved as much as possible
Similar to k-means: cluster centers tend to lie in a low-dimensional

manifold in the feature space
Clustering is performed by having several units competing for the

current object
The unit whose weight vector is closest to the current object wins
The winner and its neighbors learn by having their weights

adjusted
SOMs are believed to resemble processing that can occur in the brain
Useful for visualizing high-dimensional data in 2- or 3-D space
May 24, 2015

Techniques
89
Web Document Clustering Using

SOM
The result of
SOM clustering
of 12088 Web
articles
The picture on
the right:
drilling down
on the keyword
mining
Based on
websom.hut.fi
Web page
May 24, 2015

Techniques
90

12. Summary
May 24, 2015

Techniques
91
Clustering High-Dimensional Data
Clustering high-dimensional data
Many applications: text documents, DNA micro-array data
Major challenges:
Many irrelevant dimensions may mask clusters
Distance measure becomes meaninglessdue to equi-distance
Clusters may exist only in some subspaces
Methods
Feature transformation: only effective if most dimensions are relevant
Feature selection: wrapper or filter approaches
PCA & SVD useful only when features are highly

correlated/redundant
useful to find a subspace where the data have nice clusters
Subspace-clustering: find clusters in all the possible subspaces
May 24, 2015
CLIQUE, ProClus, and frequent pattern-based clustering

Techniques
92
The Curse of Dimensionality

(graphs adapted from Parsons et al. KDD Explorations
2004)
Data in only one dimension is

relatively packed
Adding a dimension stretch the

points across that dimension,
making them further apart
Adding more dimensions will make

the points further aparthigh
dimensional data is extremely
sparse
Distance measure becomes

meaninglessdue to equi-distance
May 24, 2015

Techniques
93
Why Subspace Clustering?

(adapted from Parsons et al. SIGKDD Explorations
2004)
May 24, 2015
Clusters may exist only in some subspaces
Subspace-clustering: find clusters in all the subspaces

Techniques
94
CLIQUE (Clustering In QUEst)
Agrawal, Gehrke, Gunopulos, Raghavan (SIGMOD98)
Automatically identifying subspaces of a high dimensional data

space that allow better clustering than original space
CLIQUE can be considered as both density-based and grid-based
It partitions each dimension into the same number of equal

length interval
It partitions an m-dimensional data space into nonoverlapping rectangular units
A unit is dense if the fraction of total data points contained in

the unit exceeds the input model parameter
A cluster is a maximal set of connected dense units within a

subspace
May 24, 2015

Techniques
95
CLIQUE: The Major Steps
Partition the data space and find the number of points

that lie inside each cell of the partition.
Identify the subspaces that contain clusters using the

Apriori principle
Identify clusters
Determine dense units in all subspaces of interests

Determine connected dense units in all subspaces
of interests.
Generate minimal description for the clusters

Determine maximal regions that cover a cluster of
connected dense units for each cluster
Determination of minimal cover for each cluster
May 24, 2015

Techniques
96
40
50
la
a
S
May 24, 2015
20
30
40
50
age
60
Vacation
=3
30
Vacation(
week)
0 1 2 3 4 5 6 7
Salary
(10,000)
0 1 2 3 4 5 6 7
20
age
60
ry
30
50

Techniques
age
97
Strength and Weakness of

CLIQUE
Strength
automatically finds subspaces of the highest
dimensionality such that high density clusters exist
in those subspaces
insensitive to the order of records in input and does
not presume some canonical data distribution
scales linearly with the size of input and has good
scalability as the number of dimensions in the data
increases
Weakness
The accuracy of the clustering result may be
degraded at the expense of simplicity of the method
May 24, 2015

Techniques
98
Frequent Pattern-Based Approach
Clustering high-dimensional space (e.g., clustering text

documents, microarray data)
Projected subspace-clustering: which dimensions to be

projected on?
CLIQUE, ProClus
Feature extraction: costly and may not be effective?
Using frequent patterns as features
Frequent are inherent features
Mining freq. patterns may not be so expensive
Typical methods
Frequent-term-based document clustering
Clustering by pattern similarity in micro-array data

(pClustering)
May 24, 2015

Techniques
99
Clustering by Pattern Similarity (pClustering)
Right: The micro-array raw data

shows 3 genes and their values in a
multi-dimensional space
Difficult to find their patterns
Bottom: Some subsets of dimensions

form nice shift and scaling patterns
May 24, 2015

Techniques
100
Why p-Clustering?
Microarray data analysis may need to
Clustering on thousands of dimensions (attributes)
Discovery of both shift and scaling patterns
Clustering with Euclidean distance measure? cannot find shift patterns
Clustering on derived attribute Aij = ai aj? introduces N(N-1) dimensions
Bi-cluster using transformed mean-squared residue score matrix (I, J)
Where
1
1
1
d
d
d
d
d
IJ | I || J |
ij
Ij | I |
ij
ij | J |
ij
i I, j J
I some > 0
A submatrix is a -cluster
if H(I, J) i
for
jJ
Problems with bi-cluster
No downward closure property,
Due to averaging, it may contain outliers but still within -threshold
May 24, 2015

Techniques
101
p-Clustering:
Clustering by
Pattern Similarity
Given object x, y in O and features a, b in T, pCluster is a 2 by

2 matrix
d xa d xb
) | (d xa d xb ) (d ya d yb ) |
d ya d yb
pScore(
A pair (O, T) is in -pCluster if for any 2 by 2 matrix X in (O, T),

pScore(X) for some > 0
Properties of -pCluster
Downward closure
Clusters are more homogeneous than bi-cluster (thus the

name: pair-wise Cluster)
Pattern-growth algorithm has been developed for efficient

mining
d xa / d ya
d xbon
/ d yb
For scaling patterns, one can observe, taking logarithmic
will lead to the pScore

Dataform
Mining: Concepts and
May 24, 2015
Techniques
102

12. Summary
May 24, 2015

Techniques
103
Why Constraint-Based Cluster

Analysis?
Need user feedback: Users know their applications the best

Less parameters but more user-desired constraints, e.g., an
ATM allocation problem: obstacle & desired clusters
May 24, 2015

Techniques
104
A Classification of Constraints in Cluster

Analysis
Clustering in applications: desirable to have user-guided

(i.e., constrained) cluster analysis
Different constraints in cluster analysis:
Constraints on individual objects (do selection first)
Constraints on distance or similarity functions
# of clusters, MinPts, etc.
User-specified constraints
Weighted functions, obstacles (e.g., rivers, lakes)
Constraints on the selection of clustering parameters
Cluster on houses worth over $300K
Contain at least 500 valued customers and 5000 ordinary

ones
Semi-supervised: giving small training sets as

constraints or hints
May 24, 2015

Techniques
105
Clustering With Obstacle Objects
K-medoids is more preferable since

k-means may locate the ATM center
in the middle of a lake
Visibility graph and shortest path
Triangulation and micro-clustering
Two kinds of join indices (shortestpaths) worth pre-computation
VV index: indices for any pair of

obstacle vertices
MV index: indices for any pair of

micro-cluster and obstacle indices
May 24, 2015

Techniques
106
An Example: Clustering With Obstacle

Objects
Not Taking obstacles into account

May 24, 2015
Taking obstacles into account

Techniques
107
Clustering with User-Specified Constraints
Example: Locating k delivery centers, each serving at

least m valued customers and n ordinary ones
Proposed approach
Find an initial solution by partitioning the data set
into k groups and satisfying user-constraints
Iteratively refine the solution by micro-clustering
relocation (e.g., moving -clusters from cluster Ci
to Cj) and deadlock handling (break the
microclusters when necessary)
Efficiency is improved by micro-clustering
How to handle more complicated constraints?
E.g., having approximately same number of valued
customers in each cluster?! Can you solve it?
May 24, 2015

Techniques
108

12. Summary
May 24, 2015

Techniques
109
What Is Outlier Discovery?
What are outliers?

The set of objects are considerably dissimilar
from the remainder of the data
Example: Sports: Michael Jordon, Wayne
Gretzky, ...
Problem: Define and find outliers in large data sets
Applications:
Credit card fraud detection
Telecom fraud detection
Customer segmentation
Medical analysis
May 24, 2015

Techniques
110
Outlier Discovery:
Statistical
Approaches
Assume a model underlying distribution that

generates data set (e.g. normal distribution)
Use discordancy tests depending on
data distribution
distribution parameter (e.g., mean, variance)
number of expected outliers
Drawbacks
most tests are for single attribute
In many cases, data distribution may not be known
May 24, 2015

Techniques
111
Outlier Discovery: Distance-Based

Approach
Introduced to counter the main limitations imposed

by statistical methods
We need multi-dimensional analysis without
knowing data distribution
Distance-based outlier: A DB(p, D)-outlier is an
object O in a dataset T such that at least a fraction
p of the objects in T lies at a distance greater than
D from O
Algorithms for mining distance-based outliers
Index-based algorithm
Nested-loop algorithm
Cell-based algorithm
May 24, 2015

Techniques
112
Density-Based Local
Outlier Detection
Distance-based outlier
detection is based on global
distance distribution
It encounters difficulties to
identify outliers if data is not
uniformly distributed
Ex. C1 contains 400 loosely
distributed points, C2 has 100
tightly condensed points, 2
outlier points o1, o2
Distance-based method
cannot identify o2 as an outlier
Need the concept of local
outlier
May 24, 2015
Local outlier factor

(LOF)
Assume outlier is not
crisp
Each point has a LOF

Techniques
113
Outlier Discovery: Deviation-Based

Approach
Identifies outliers by examining the main

characteristics of objects in a group
Objects that deviate from this description are

considered outliers
Sequential exception technique
simulates the way in which humans can

distinguish unusual objects from among a
series of supposedly like objects
OLAP data cube technique
uses data cubes to identify regions of

anomalies in large multidimensional data
May 24, 2015

Techniques
114

12. Summary
May 24, 2015

Techniques
115
Summary
Cluster analysis groups objects based on their

similarity and has wide applications
Measure of similarity can be computed for various

types of data
Clustering algorithms can be categorized into

partitioning methods, hierarchical methods, densitybased methods, grid-based methods, and model-based
methods
Outlier detection and analysis are very useful for fraud

detection, etc. and can be performed by statistical,
distance-based or deviation-based approaches
There are still lots of research issues on cluster analysis
May 24, 2015

Techniques
116
Problems and Challenges
Considerable progress has been made in scalable

clustering methods
Partitioning: k-means, k-medoids, CLARANS
Hierarchical: BIRCH, ROCK, CHAMELEON
Density-based: DBSCAN, OPTICS, DenClue
Grid-based: STING, WaveCluster, CLIQUE
Model-based: EM, Cobweb, SOM
Frequent pattern-based: pCluster
Constraint-based: COD, constrained-clustering
Current clustering techniques do not address all the

requirements adequately, still an active area of
research
May 24, 2015

Techniques
117
References (1)
R. Agrawal, J. Gehrke, D. Gunopulos, and P. Raghavan. Automatic subspace clustering of

high dimensional data for data mining applications. SIGMOD'98
M. R. Anderberg. Cluster Analysis for Applications. Academic Press, 1973.
M. Ankerst, M. Breunig, H.-P. Kriegel, and J. Sander. Optics: Ordering points to identify the
clustering structure, SIGMOD99.
P. Arabie, L. J. Hubert, and G. De Soete. Clustering and Classification. World Scientific, 1996
Beil F., Ester M., Xu X.: "Frequent Term-Based Text Clustering", KDD'02
M. M. Breunig, H.-P. Kriegel, R. Ng, J. Sander. LOF: Identifying Density-Based Local Outliers.
SIGMOD 2000.
M. Ester, H.-P. Kriegel, J. Sander, and X. Xu. A density-based algorithm for discovering
clusters in large spatial databases. KDD'96.
M. Ester, H.-P. Kriegel, and X. Xu. Knowledge discovery in large spatial databases: Focusing
techniques for efficient class identification. SSD'95.
D. Fisher. Knowledge acquisition via incremental conceptual clustering. Machine Learning,

2:139-172, 1987.
D. Gibson, J. Kleinberg, and P. Raghavan. Clustering categorical data: An approach based

on dynamic systems. VLDB98.
May 24, 2015

Techniques
118
References (2)
V. Ganti, J. Gehrke, R. Ramakrishan. CACTUS Clustering Categorical Data Using Summaries.

KDD'99.
D. Gibson, J. Kleinberg, and P. Raghavan. Clustering categorical data: An approach based on

dynamic systems. In Proc. VLDB98.
S. Guha, R. Rastogi, and K. Shim. Cure: An efficient clustering algorithm for large databases.
SIGMOD'98.
S. Guha, R. Rastogi, and K. Shim. ROCK: A robust clustering algorithm for categorical
attributes. In ICDE'99, pp. 512-521, Sydney, Australia, March 1999.
A. Hinneburg, D.l A. Keim: An Efficient Approach to Clustering in Large Multimedia Databases

with Noise. KDD98.
A. K. Jain and R. C. Dubes. Algorithms for Clustering Data. Printice Hall, 1988.
G. Karypis, E.-H. Han, and V. Kumar. CHAMELEON: A Hierarchical Clustering Algorithm Using
Dynamic Modeling. COMPUTER, 32(8): 68-75, 1999.
L. Kaufman and P. J. Rousseeuw. Finding Groups in Data: an Introduction to Cluster Analysis.

John Wiley & Sons, 1990.
E. Knorr and R. Ng. Algorithms for mining distance-based outliers in large datasets. VLDB98.
G. J. McLachlan and K.E. Bkasford. Mixture Models: Inference and Applications to Clustering.
John Wiley and Sons, 1988.
P. Michaud. Clustering techniques. Future Generation Computer systems, 13, 1997.
R. Ng and J. Han. Efficient and effective clustering method for spatial data mining. VLDB'94.
May 24, 2015

Techniques
119
References (3)
L. Parsons, E. Haque and H. Liu, Subspace Clustering for High Dimensional Data: A
Review , SIGKDD Explorations, 6(1), June 2004
E. Schikuta. Grid clustering: An efficient hierarchical clustering method for very large
data sets. Proc. 1996 Int. Conf. on Pattern Recognition,.
G. Sheikholeslami, S. Chatterjee, and A. Zhang. WaveCluster: A multi-resolution

clustering approach for very large spatial databases. VLDB98.
A. K. H. Tung, J. Han, L. V. S. Lakshmanan, and R. T. Ng. Constraint-Based Clustering in

Large Databases, ICDT'01.
A. K. H. Tung, J. Hou, and J. Han. Spatial Clustering in the Presence of Obstacles ,

ICDE'01
H. Wang, W. Wang, J. Yang, and P.S. Yu. Clustering by pattern similarity in large data
sets, SIGMOD 02.
W. Wang, Yang, R. Muntz, STING: A Statistical Information grid Approach to Spatial

Data Mining, VLDB97.
T. Zhang, R. Ramakrishnan, and M. Livny. BIRCH : an efficient data clustering method

for very large databases. SIGMOD'96.
May 24, 2015

Techniques
120

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Cluster Analysis

1. What is Cluster Analysis?

Data Mining: Concepts and