Module 5: Data Mining Algorithms : Classification

Basic concepts

Bayesian Classification Methods

Decision Tree Induction

Rule based Classification
Dr. Senthilkumar N C, Asso Prof, SITE
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Basic Concepts
A bank loans officer needs analysis of her data to learn which loan applicants are
“safe” and which are “risky” for the bank. (“safe” or “risky” )
A marketing manager needs data analysis to help guess whether a customer with a
given profile will buy a new computer. (“yes” or “no”)
A medical researcher wants to analyze breast cancer data to predict which one of
three specific treatments a patient should receive. (“treatment A,” “treatment B,” or
“treatment C”)
In each of these examples, the data analysis task is classification, where a model or
classifier is constructed to predict class (categorical) labels.
These categories can be represented by discrete values, where the ordering among
values has no meaning.
Dr. Senthilkumar N C, Asso Prof, SITE
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Data classification is a two-step process,
learning step (where a classification model is constructed)
classification step (where the model is used to predict class labels for
given data).
In the first step, a classifier is built describing a predetermined set of data classes
or concepts.
This is the learning step (or training phase), where a classification algorithm builds
the classifier by analyzing or “learning from” a training set made up of database
tuples and their associated class labels.
A tuple, X, is represented by an n-dimensional attribute vector, X = (x1, x2, .., xn),
depicting n measurements made on the tuple from n database attributes,
respectively, A1, A2, … , An.
Dr. Senthilkumar N C, Asso Prof, SITE
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Each tuple, X, is assumed to belong to a predefined class as determined by another
database attribute called the class label attribute.
The class label attribute is discrete-valued and unordered.
It is categorical (or nominal) in that each value serves as a category or class.
The individual tuples making up the training set are referred to as training tuples
and are randomly sampled from the database under analysis.
In classification, data tuples can be referred to as samples, examples, instances,
data points, or objects.
Because the class label of each training tuple is provided, this step is also known
as supervised learning
This first step can also be viewed as the learning of a mapping or function,
y = f (X), that can predict the associated class label y of a given tuple X.
Dr. Senthilkumar N C, Asso Prof, SITE
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Mapping is represented in the form of classification rules, decision trees, or
mathematical formulae.
Training
Data
NAM E
M ike
M ary
Bill
Jim
Dave
Anne
RANK
YEARS TENU RED
Assistant Prof
3
no
Assistant Prof
7
yes
Professor
2
yes
Associate Prof
7
yes
Assistant Prof
6
no
Associate Prof
3
no
Classification
Algorithms
Classifier
(Model)
IF rank = ‘Assistant
Prof’
OR years > 6
THEN tenured = ‘yes’
Dr. Senthilkumar N C, Asso Prof, SITE
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In the second step, the model is used for classification.
First, the predictive accuracy of the classifier is estimated using test set.
Test set is made up of test tuples and their associated class labels. They are
independent of the training tuples, meaning that they were not used to construct
the classifier.
The accuracy of a classifier on a given test set is the percentage of test set tuples
that are correctly classified by the classifier.
The associated class label of each test tuple is compared with the learned
classifier’s class prediction for that tuple.
If the accuracy of the classifier is considered acceptable, the classifier can be used
to classify future data tuples for which the class label is not known.
Dr. Senthilkumar N C, Asso Prof, SITE
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classification step:
Classifier
Testing
Data
Unseen Data
(Jeff, Professor, 4)
NAME
Tom
Merlisa
G eorge
Joseph
RANK
YEARS TENURED
Assistant Prof
2
no
Associate Prof
7
no
Professor
5
yes
Assistant Prof
7
yes
Tenured?
Dr. Senthilkumar N C, Asso Prof, SITE
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Decision Tree Induction
Decision tree induction is the learning of decision trees from class-labeled training
tuples.
A decision tree is a flowchart-like tree structure,
where each internal node (nonleaf node) - test on an attribute
each branch - outcome of the test
each leaf node (or terminal node) - class label.
The topmost node in a tree is the root node.
Dr. Senthilkumar N C, Asso Prof, SITE
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Given a tuple, X, for which the associated class label is unknown, the attribute
values of the tuple are tested against the decision tree.
A path is traced from the root to a leaf node, which holds the class prediction for
that tuple.
Decision trees can easily be converted to classification rules.
The construction of decision tree classifiers does not require any domain
knowledge or parameter setting,
Decision trees can handle multidimensional data.
The learning and classification steps of decision tree induction are simple and fast.
In general, decision tree classifiers have good accuracy.
Application areas: medicine, manufacturing and production, financial analysis,
astronomy, and molecular biology.
Dr. Senthilkumar N C, Asso Prof, SITE
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Decision tree algorithms:
ID3 (Iterative Dichotomiser) by J. Ross Quinlan
C4.5 (a successor of ID3)
Classification and Regression Trees (CART) book by L. Breiman, J.
Friedman, R. Olshen, and C. Stone described binary decision trees.
Decision trees are constructed in a top-down recursive divide-and-conquer manner.
Most algorithms follows a top-down approach, which starts with a training set of
tuples and their associated class labels.
The training set is recursively partitioned into smaller subsets as the tree is being
built.
Dr. Senthilkumar N C, Asso Prof, SITE
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Basic decision tree algorithm:
three parameters:
D - data partition. Initially, it is the complete set of training tuples and
their associated class labels.
Attribute list – list of attributes describing the tuples.
Attribute selection method - a heuristic procedure for selecting the
attribute that “best” discriminates the given tuples according to class.
Attribute selection method based on Information gain (multiway splits) or the
Gini index. (resulting tree to be binary)
The tree starts as a single node, N, representing the training tuples in D.
If the tuples in D are all of the same class, then node N becomes a leaf and is
labeled with that class.
Dr. Senthilkumar N C, Asso Prof, SITE
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Otherwise, the algorithm calls Attribute selection method to determine the splitting
criterion.
The splitting criterion tells us which attribute to test at node N by determining the
“best” way to separate or partition the tuples in D into individual classes.
The splitting criterion also tells us which branches to grow from node N with
respect to the outcomes of the chosen test.
More specifically, the splitting criterion indicates the splitting attribute and may
also indicate either a split-point or a splitting subset.
The splitting criterion is determined so that, ideally, the resulting partitions at each
branch are as “pure” as possible.
A partition is pure if all the tuples in it belong to the same class.
Dr. Senthilkumar N C, Asso Prof, SITE
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The node N is labeled with the splitting criterion, which serves as a test at the node.
A branch is grown from node N for each of the outcomes of the splitting criterion.
The tuples in D are partitioned accordingly.
There are three possible scenarios.
Let A be the splitting attribute. A has v distinct values, {a1, a2, . . . , av}, based on
the training data.
A is discrete-valued:
A branch is created for each known value, aj , of A and labeled with that value
Dr. Senthilkumar N C, Asso Prof, SITE
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A is continuous-valued:
In this case, the test at node N has two possible outcomes, corresponding to the
conditions A ≤ split point and A > split point, respectively, where split point is the
split-point returned by Attribute selection method. (mid point)
A is discrete-valued and a binary tree must be produced:
The test at node N is of the form “A
SA?,” where SA is the splitting subset for A,
returned by Attribute selection method as part of the splitting criterion.
Dr. Senthilkumar N C, Asso Prof, SITE
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The algorithm uses the same process recursively to form a decision tree for the
tuples at each resulting partition, Dj , of D.
The recursive partitioning stops only when any one of the following terminating
conditions is true:
1. All the tuples in partition D (represented at node N) belong to the same class.
2. There are no remaining attributes on which the tuples may be further partitioned.
In this case, majority voting is employed. This involves converting node N into a
leaf and labeling it with the most common class in D.
3. There are no tuples for a given branch, that is, a partition Dj is empty. In this
case, a leaf is created with the majority class in D.
Dr. Senthilkumar N C, Asso Prof, SITE
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Dr. Senthilkumar N C, Asso Prof, SITE
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Attribute Selection Measures:
is a heuristic for selecting the splitting criterion that “best” separates a
given data partition, D, of class-labeled training tuples into individual classes.
also known as splitting rules because they determine how the tuples at a
given node are to be split.
provides a ranking for each attribute describing the given training tuples.
The attribute having the best score for the measure is chosen as the splitting
attribute for the given tuples.
three popular attribute selection measures:
Information gain
Gain ratio
Gini index
Dr. Senthilkumar N C, Asso Prof, SITE
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Let D, the data partition, be a training set of class-labeled tuples.
Suppose the class label attribute has m distinct values defining m distinct classes,
Ci (for i = 1, . . . , m).
Let Ci,D be the set of tuples of class Ci in D.
Let |D| and |Ci,D| denote the number of tuples in D and Ci,D, respectively.
Information Gain:
ID3 uses information gain as its attribute selection measure.
The attribute with the highest information gain is chosen as the splitting attribute
for node N.
Dr. Senthilkumar N C, Asso Prof, SITE
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The expected information needed to classify a tuple in D is given by
where pi is the nonzero probability that an arbitrary tuple in D belongs to class Ci
and is estimated by |Ci,D| / |D|.
A log function to the base 2 is used, because the information is encoded in bits.
Info(D) is also known as the entropy of D.
InfoA(D) is the expected information required to classify a tuple from D based on
the partitioning by A.
|Dj| / |D| acts as the weight of the jth partition. Attribute A can be used to split D
into v partitions or subsets.
Dr. Senthilkumar N C, Asso Prof, SITE
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Dr. Senthilkumar N C, Asso Prof, SITE
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age
total yes no
Youth
5
2
3
Middle_aged 4
4
0
senior
3
2
5
Dr. Senthilkumar N C, Asso Prof, SITE
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= 0.911
Gain (income)
= 0.940 – 0.911
= 0.029 bits
income
total yes no
Low
4
3
1
Medium
6
4
2
high
4
2
2
Dr. Senthilkumar N C, Asso Prof, SITE
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= 0.788
Gain (Student)
= 0.940 – 0.788
= 0.152 bits
stu
total yes no
Yes
7
6
1
No
7
3
4
Dr. Senthilkumar N C, Asso Prof, SITE
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= 0.892
Gain (CR)
= 0.940 – 0.892
= 0.048 bits
Credit_rating total
yes no
fair
8
6
2
excellent
6
3
3
Dr. Senthilkumar N C, Asso Prof, SITE
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Gain(age) = 0.246, Gain(stu) = 0.151, Gain(CR) = 0.048, Gain(income) = 0.029
age has the highest information gain among the attributes, it is selected as the
splitting attribute.
Node N is labeled with age, and branches are grown for each of the attribute’s
values. The tuples are then partitioned accordingly,
Dr. Senthilkumar N C, Asso Prof, SITE
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An attribute A that is continuous-valued, determine the “best” split-point for A,
where the split-point is a threshold on A.
First sort the values of A in increasing order. The midpoint between each pair of
adjacent values is considered as a possible split-point.
Therefore, given v values of A, then v - 1 possible splits are evaluated.
For example, the midpoint between the values ai and ai+1 of A is
The point with the minimum expected information requirement for A is selected as
the split point for A.
D1 is the set of tuples in D satisfying A ≤ split point, and D2 is the set of tuples in
D satisfying A > split point.
Dr. Senthilkumar N C, Asso Prof, SITE
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Gain Ratio:
The information gain measure is biased toward tests with many outcomes.
That is, it prefers to select attributes having a large number of values.
Would result in a large number of partitions (as many as there are values), each one
containing (may be) just one tuple.
The information gained by partitioning on this attribute is maximal.
Such a partitioning is useless for classification.
C4.5, a successor of ID3, uses an extension to information gain known as gain
ratio, which attempts to overcome this bias.
It applies a kind of normalization to information gain using a “split information”
value defined analogously with Info(D) as
Dr. Senthilkumar N C, Asso Prof, SITE
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The gain ratio is defined as
The attribute with the maximum gain ratio is selected as the splitting attribute.
Dr. Senthilkumar N C, Asso Prof, SITE
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Gain(age) = 0.246, Gain(stu) = 0.151, Gain(CR) = 0.048, Gain(income) = 0.029
age
total
Youth
5
Middle_aged 4
senior
5
income
total
Low
4
Medium
6
high
4
Dr. Senthilkumar N C, Asso Prof, SITE
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stu
total
Yes
7
No
7
Credit_rating total
0.049
fair
8
excellent
6
0.049
Dr. Senthilkumar N C, Asso Prof, SITE
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Gini Index:
The Gini index is used in CART.
The Gini index measures the impurity of D, a data partition or set of training tuples,
as
where pi is the probability that a tuple in D belongs to class Ci and is estimated by
|Ci,D | / |D|. The sum is computed over m classes.
The Gini index considers a binary split for each attribute.
A is a discrete-valued attribute having v distinct values, {a1, a2, . . . , av}, occurring
in D.
To determine the best binary split on A, we examine all the possible subsets that
can be formed using known values of A.
Dr. Senthilkumar N C, Asso Prof, SITE
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Each subset, SA, can be considered as a binary test for attribute A of the form “A
SA?”.
If A has v possible values, then there are 2v possible subsets.
if income has three possible values, namely {low, medium, high}, then the possible
subsets are {}, {low}, {medium}, {high}, {low, medium}, {low, high}, {medium,
high}, and {low, medium, high}. We exclude the power set, {low, medium, high},
and the empty set.
Therefore, there are 2v - 2 possible ways to form two partitions of the data, D,
based on a binary split on A.
if a binary split on A partitions D into D1 and D2, the Gini index of D given that
partitioning is
Dr. Senthilkumar N C, Asso Prof, SITE
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For a discrete-valued attribute, the subset that gives the minimum Gini index for
that attribute is selected as its splitting subset.
The reduction in impurity that would be incurred by a binary split on a discrete
valued attribute A is
The attribute that maximizes the reduction in impurity (or, equivalently, has the
minimum Gini index) is selected as the splitting attribute.
Dr. Senthilkumar N C, Asso Prof, SITE
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For age, distinct values are {youth, middle_aged, senior}.
Subsets are {youth}, {middle_aged}, {senior}, {youth, middle_aged}, {youth,
senior}, {middle_aged, senior}
{youth} and {middle_aged, senior} have same Gini index value
{middle_aged} and {youth, senior} have same Gini index value
{senior} and {youth, middle_aged} have same Gini index value
{youth, senior} or {middle_aged} as the best split for age with a Gini index of
0.375;
For student, distinct values are {yes, No}.
Subsets are {yes}, {No}. So Gini index value is 0.367
For credit rating, distinct values are {fair, excellent}.
Subsets are {fair}, {excellent}. So Gini index value is 0.429.
Dr. Senthilkumar N C, Asso Prof, SITE
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Rule based Classification
In rule-based classifiers, the learned model is represented as a set of IF-THEN
rules.
rules are used for classification
ways to generate:
either from a decision tree or directly from the training data using a
sequential covering algorithm.
Using IF-THEN Rules for Classification:
A rule-based classifier uses a set of IF-THEN rules for classification.
An IF-THEN rule is an expression of the form
IF condition THEN conclusion.
Eg.,
R1: IF age = youth AND student = yes THEN buys computer = yes.
Dr. Senthilkumar N C, Asso Prof, SITE
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The “IF” part (or left side) of a rule - rule antecedent or precondition.
The “THEN” part (or right side) - consequent.
In the rule antecedent, the condition consists of one or more attribute tests.
The rule’s consequent contains a class prediction.
R1 can also be written as
R1: (age = youth) ^ (student = yes)  (buys computer = yes)
If the condition (i.e., all the attribute tests) in a rule antecedent holds true for a
given tuple, then rule antecedent is satisfied (or simply, that the rule is satisfied)
and that the rule covers the tuple.
A rule R can be assessed by its coverage and accuracy.
Given a tuple, X, from a class labeled data set, D,
ncovers be the number of tuples covered by R; ncorrect be the number of tuples
correctly classified by R; |D| be the number of tuples in D.
Dr. Senthilkumar N C, Asso Prof, SITE
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Rule’s coverage is the percentage of tuples that are covered by the rule (i.e., their
attribute values hold true for the rule’s antecedent).
Rule’s accuracy, the tuples that it covers and the percentage of tuples that the rule
can correctly classify.
IF age = youth AND
income = medium
THEN buys_computer =
yes.
Coverage
= 2 / 14
= 14.28%
Accuracy
=1/2
= 50%.
Dr. Senthilkumar N C, Asso Prof, SITE
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To predict the class label of a given tuple, X based on rule-based classification.
If a rule is satisfied by X, the rule is said to be triggered.
If R1 is the only rule satisfied, then the rule fires by returning the class prediction
for X.
But triggering does not always mean firing because there may be more than one
rule that is satisfied. (if they each specify a different class).
Conflict resolution strategy to figure out which rule gets to fire and assign its class
prediction to X.
There are many possible strategies. Two strategies - size ordering and rule
ordering.
Dr. Senthilkumar N C, Asso Prof, SITE
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Size ordering - assigns the highest priority to the triggering rule that has the
“toughest” requirements. where toughness is measured by the rule antecedent
size. (with the most attribute tests).
Rule ordering - class-based or rule-based
class-based ordering, the classes are sorted in order of decreasing “importance”
such as by decreasing order of prevalence.
That is, all the rules for the most prevalent (or most frequent) class come first, the
rules for the next prevalent class come next, and so on.
rule-based ordering, the rules are organized into one long priority list, according
to some measure of rule quality, such as accuracy, coverage, or size (number of
attribute tests in the rule antecedent), or based on advice from domain experts.
Rule set is known as a decision list.
Dr. Senthilkumar N C, Asso Prof, SITE
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Rule Extraction from a Decision Tree:
To extract rules from a decision tree, one rule is created for each path from the root
to a leaf node.
Each splitting criterion along a given path is logically ANDed to form the rule
antecedent (“IF” part).
The leaf node holds the class prediction, forming the rule consequent (“THEN”
part).
Rules are mutually exclusive and exhaustive.
Mutually exclusive - no rule conflicts here because no two rules will be triggered
for the same tuple.
Exhaustive - there is one rule for each possible attribute–value combination.
Disjunction (logical OR) is implied between each of the extracted rules.
Dr. Senthilkumar N C, Asso Prof, SITE
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R1: IF age = youth AND student = no
THEN buys_computer = no
R2: IF age = youth AND student = yes
THEN buys_computer = yes
R3: IF age = middle_aged
THEN buys_computer = yes
R4: IF age = senior AND credit_rating = excellent
THEN buys_computer = yes
R5: IF age = senior AND credit_rating = fair
THEN buys_computer = no
Dr. Senthilkumar N C, Asso Prof, SITE
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Rule Induction Using a Sequential Covering Algorithm:
IF-THEN rules can be extracted directly from the training data.
The name comes from the notion that the rules are learned sequentially (one at a
time), where each rule for a given class will ideally cover many of the class’s
tuples.
There are many sequential covering algorithms.
Popular variations include AQ, CN2 and the more recent RIPPER.
The general strategy is as follows:
Rules are learned one at a time.
Each time a rule is learned, the tuples covered by the rule are removed, and the
process repeats on the remaining tuples.
Dr. Senthilkumar N C, Asso Prof, SITE
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Dr. Senthilkumar N C, Asso Prof, SITE
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Rules are learned for one class at a time.
Ideally, when learning a rule for a class, C, the rule to cover all (or many) of the
training tuples of class C and none (or few) of the tuples from other classes.
The rules learned should be of high accuracy but need not necessarily be of high
coverage.
Because there are more than one rule for a class, so that different rules may cover
different tuples within the same class.
Start off with an empty rule and then gradually keep appending attribute tests to it.
We append by adding the attribute test as a logical conjunct to the existing
condition of the rule antecedent.
The Learn_One_Rule procedure finds the “best” rule for the current class, given
the current set of training tuples.
Dr. Senthilkumar N C, Asso Prof, SITE
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Bayesian Classification
A statistical classifier:
performs probabilistic prediction, i.e., predicts class membership
probabilities
Based on Bayes’ Theorem.
Performance:
A simple Bayesian classifier, naïve Bayesian classifier, has comparable
performance with decision tree and selected neural network classifiers
naïve Bayesian classifier:
Class Conditional independence: the effect of an attribute value on a given
class is independent of the values of the other attributes.
Simplify the computation involved
Dr. Senthilkumar N C, Asso Prof, SITE
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Bayesian Theorem: Basics
Let X be a data sample (“evidence”): class label is unknown
Let H be a hypothesis that X belongs to class C
For classification, to determine P(H|X), the probability that the hypothesis holds
given the observed data sample X. (that tuple X belongs to class C).
E.g., customer X will buy a computer given that the customer’s age and income
P(H) (prior probability), the initial probability
E.g., X will buy computer, regardless of age, income.
P(X): probability that sample data is observed
P(X|H) (posteriori probability), the probability of observing the sample X, given
that the hypothesis holds
E.g., customer, X, is 35 years old and earns $40,000, given that the customer
will buy a computer.
Dr. Senthilkumar N C, Asso Prof, SITE
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Bayesian Theorem
Given training data X, posteriori probability of a hypothesis H, P(H|X), follows
the Bayes theorem
P ( H | X)  P (X | H )P ( H )
P (X )
Informally, this can be written as
posteriori = likelihood x prior/evidence
Predicts X belongs to Ci if the probability P(Ci|X) is the highest among all the
P(Ck|X) for all the k classes
Dr. Senthilkumar N C, Asso Prof, SITE
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Naïve Bayesian Classifier
Let D be a training set of tuples and their associated class labels, and each tuple
is represented by an n-D attribute vector X = (x1, x2, …, xn)
Suppose there are m classes C1, C2, …, Cm.
Classification is to derive the maximum posteriori, i.e., the maximal P(Ci|X)
This can be derived from Bayes’ theorem
P(C | X) 
i
P(X | C ) P(C )
i
i
P(X)
Since P(X) is constant for all classes, only
P(C | X)  P(X | C )P(C ) needs to be maximized
i
i
i
Dr. Senthilkumar N C, Asso Prof, SITE
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Naïve Bayesian Classifier: Training Dataset
Class:
C1:buys_computer = ‘yes’
C2:buys_computer = ‘no’
Data sample
X = (age <=30,
Income = medium,
Student = yes
Credit_rating = Fair)
age
<=30
<=30
31…40
>40
>40
>40
31…40
<=30
<=30
>40
<=30
31…40
31…40
>40
income studentcredit_rating
buys_computer
high
no fair
no
high
no excellent
no
high
no fair
yes
medium no fair
yes
low
yes fair
yes
low
yes excellent
no
low
yes excellent yes
medium no fair
no
low
yes fair
yes
medium yes fair
yes
medium yes excellent yes
medium no excellent yes
high
yes fair
yes
medium no excellent
no
Dr. Senthilkumar N C, Asso Prof, SITE
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Naïve Bayesian Classifier: An Example
P(Ci): P(buys_computer = “yes”) = 9/14 = 0.643
P(buys_computer = “no”) = 5/14 = 0.357
Compute P(X|Ci) for each class
P(age = “<=30” | buys_computer = “yes”)
= 2/9 = 0.222
P(income = “medium” | buys_computer = “yes”) = 4/9 = 0.444
P(student = “yes” | buys_computer = “yes)
= 6/9 = 0.667
P(credit_rating = “fair” | buys_computer = “yes”) = 6/9 = 0.667
P(age = “<= 30” | buys_computer = “no”)
= 3/5 = 0.6
P(income = “medium” | buys_computer = “no”)
= 2/5 = 0.4
P(student = “yes” | buys_computer = “no”)
= 1/5 = 0.2
P(credit_rating = “fair” | buys_computer = “no”)
= 2/5 = 0.4
Dr. Senthilkumar N C, Asso Prof, SITE
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X = (age <= 30 , income = medium, student = yes, credit_rating = fair)
P(X|Ci) :
P(X|buys_computer = “yes”) = 0.222 x 0.444 x 0.667 x 0.667 = 0.044
P(X|buys_computer = “no”)
= 0.6 x 0.4 x 0.2 x 0.4
= 0.019
P(X|Ci)*P(Ci) :
P(X|buys_computer = “yes”) * P(buys_computer = “yes”)
= 0.044 * 0.643 = 0.028
P(X|buys_computer = “no”) * P(buys_computer = “no”)
= 0.019 * 0.357 = 0.007
Therefore, X belongs to class (“buys_computer = yes”)
Dr. Senthilkumar N C, Asso Prof, SITE
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Module 7: Clustering

Basic issues in clustering

Partitioning methods
K-means
K-Medoids

Hierarchical methods
distance-based agglomerative
divisible clustering

Density Based Methods
Dr. Senthilkumar N C, Asso Prof, SITE
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Cluster Analysis
Cluster:
is the process of grouping a set of physical or abstract objects into
classes of similar objects
Similar to one another within the same cluster
Dissimilar to the objects in other clusters
A cluster of data objects can be treated collectively as one group and so may be
considered as a form of data compression.
Unlike classification, clustering and unsupervised learning do not rely on
predefined classes and class-labeled training examples.
So clustering is a form of learning by observation, rather than learning by
examples.
Dr. Senthilkumar N C, Asso Prof, SITE
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Quality: What Is Good Clustering?
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
A good clustering method will produce high quality clusters with
high intra-class similarity
low inter-class similarity
(That is, clusters of objects are formed so that objects within a cluster have high
similarity in comparison to one another, but are very dissimilar to objects in
other clusters.)
Dr. Senthilkumar N C, Asso Prof, SITE
3
Requirements of Clustering in Data Mining
Scalability:
Many clustering algorithms work well on small data sets containing fewer than
several hundred data objects; however, a large database may contain millions
of objects.
Clustering on a sample of a given large data set may lead to biased results.
Highly scalable clustering algorithms are needed.
Ability to deal with different types of attributes:
Many algorithms are designed to cluster interval-based (numerical) data.
However, applications may require clustering other types of data, such as
binary, categorical (nominal), and ordinal data, or mixtures of these data types.
Dr. Senthilkumar N C, Asso Prof, SITE
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Discovery of clusters with arbitrary shape:
Many clustering algorithms determine clusters based on Euclidean or Manhattan
distance measures. (produce spherical clusters with similar size and density)
Cluster could be of any shape. It is important to develop algorithms that can
detect clusters of arbitrary shape.
Minimal requirements for domain knowledge to determine input parameters:
Clustering algorithms require users to input certain parameters (no. of desired
clusters). The clustering results can be quite sensitive to input parameters.
Parameters are often difficult to determine, especially for data sets containing
high-dimensional objects.
This not only burdens users, but it also makes the quality of clustering difficult
to control.
Dr. Senthilkumar N C, Asso Prof, SITE
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Able to deal with noise and outliers:
Most real-world databases contain outliers or missing, unknown, or erroneous
data. Some clustering algorithms are sensitive to such data and may lead to
clusters of poor quality.
Insensitive to order of input records:
Some clustering algorithms cannot incorporate newly inserted data (i.e., database
updates) into existing clustering structures and, instead, must determine a new
clustering from scratch.
Some clustering algorithms are sensitive to the order of input data. That is, given
a set of data objects, such an algorithm may return dramatically different
clusterings depending on the order of presentation of the input objects.
It is important to develop incremental clustering algorithms and algorithms that
are insensitive to the order of input.
Dr. Senthilkumar N C, Asso Prof, SITE
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High dimensionality:
A database or a data warehouse can contain several dimensions or attributes.
Many clustering algorithms are good at handling low-dimensional data, involving
only two to three dimensions.
Finding clusters of data objects in high dimensional space is challenging,
especially considering that such data can be sparse and highly skewed.
Incorporation of user-specified constraints:
Real-world applications may need to perform clustering under various kinds of
constraints.
A challenging task is to find groups of data with good clustering behavior that
satisfy specified constraints
Dr. Senthilkumar N C, Asso Prof, SITE
7
Data Structures
Data matrix (or object-by-variable structure):
represents n objects, such as persons, with p variables (also
called measurements or attributes), such as age, height,
weight, gender, and so on.
The structure is in the form of a relational table, or n-by-p
matrix (n objects X p variables)
 x11

 ...
x
 i1
 ...
x
 n1
...
x1f
...
...
...
...
x if
...
...
...
...
... x nf
...
...
x1p 

... 
x ip 

... 
x np 

Also called two mode matrix. The rows and columns of the
data matrix represent different entities
 0

 d(2,1)

0


This stores a collection of proximities that are available for  d(3,1) d (3,2) 0



:
:
:


all pairs of n objects. It is represented by an n-by-n table.
d (n,1) d (n,2) ... ... 0
Dissimilarity matrix (or object-by-object structure):
also called one mode matrix.
Dr. Senthilkumar N C, Asso Prof, SITE
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Type of data in clustering analysis
Interval-scaled variables, Binary variables
Categorical, ordinal, and ratio variables
Variables of mixed types
Interval-scaled variables:
are continuous measurements of a roughly linear scale.
Eg.: weight, height, latitude and longitude coordinates, and weather temperature
The measurement unit used can affect the clustering analysis.
Eg.: changing measurement units from meters to inches for height, or from
kilograms to pounds for weight, may lead to a very different clustering structure.
To help avoid dependence on the choice of measurement units, the data should
be standardized. Standardizing measurements attempts to give all variables an
equal weight.
Dr. Senthilkumar N C, Asso Prof, SITE
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To standardize measurements, one choice is to convert the original measurements
to unit less variables.
Given measurements for a variable f , this can be performed as follows:
Calculate the mean absolute deviation:
s f  1n (| x1 f  m f |  | x2 f  m f | ... | xnf  m f |) where m f  1 (x1 f  x2 f
n
 ... 
xnf )
.
Calculate the standardized measurement (z-score)
xif  m f
zif 
sf
After standardization, or without standardization, the dissimilarity (or similarity)
between the objects described by interval-scaled variables is typically computed
based on the distance between each pair of objects.
The most popular distance measure is Euclidean distance, which is defined as
where i = (xi1, xi2, .., xip) & j = (xj1, xj2, .., xjp) are two n-dimensional data objects.
Dr. Senthilkumar N C, Asso Prof, SITE
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Let x1 = (1, 2) and x2 = (3, 5) represent two objects
The Euclidean distance between the two is 3.61
Another well-known metric is Manhattan (or city block) distance, defined as
d(i, j) | x  x | | x x | ...| x x |
i1 j1 i2 j2
ip jp
Both the Euclidean distance and Manhattan distance satisfy the following
mathematic requirements of a distance function:
d(i, j) >= 0: Distance is a nonnegative number.
d(i, i) = 0: The distance of an object to itself is 0.
d(i, j) = d( j, i): Distance is a symmetric function.
d(i, j) <= d(i, h)+d(h, j): Going directly from object i to object j in space is no
more than making a detour over any other object h (triangular inequality).
Dr. Senthilkumar N C, Asso Prof, SITE
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Minkowski distance is a generalization of both Euclidean distance and Manhattan
distance. It is defined as
d (i, j)  q (| x  x |q  | x  x |q ... | x  x |q )
i1
j1
i2
j2
ip
jp
If q = 1, d is Manhattan distance
q = 2, d is Euclidean distance
Binary variables:
A binary variable has only two states: 0 or 1,
where 0 means that the variable is absent, and 1 means that it is present.
One approach involves computing a dissimilarity matrix from the given binary
data.
If all binary variables are thought of as having the same weight, we have the 2-by2 contingency table.
Dr. Senthilkumar N C, Asso Prof, SITE
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Object j
Object i
1
1
0
sum
a
b
a b
0
c
d cd
sum a  c b  d
p
Symmetric binary variables:
A binary variable is symmetric if both of its states are equally valuable and carry
the same weight. No preference.
Dissimilarity that is based on symmetric binary variables is called symmetric
binary dissimilarity.
d (i , j ) 
bc
abcd
Asymmetric binary variables:
A binary variable is asymmetric if the outcomes of the states are not equally
important. Eg. Medical data
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The dissimilarity based on such variables is called asymmetric binary dissimilarity,
where the number of negative matches, d, is considered unimportant and thus is
ignored in the computation.
d (i, j ) 
bc
abc
we can measure the distance between two binary variables based on similarity
instead of dissimilarity.
For example, the asymmetric binary similarity between the objects i and j, or sim(i,
j), can be computed as,
Sim(i,j) = a / (a + b + c)
= 1 – d (i, j)
The coefficient sim(i, j) is called the Jaccard coefficient
Dr. Senthilkumar N C, Asso Prof, SITE
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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 (i, j ) 
bc
abc
Object j
Object i
1
1
a
0
b
sum
a b
0
c
d
cd
sum a  c b  d
p
Mary and Jim are unlikely to have a similar disease because they have the
highest dissimilarity value among the three pairs. Of the three patients, Jack and
Mary are the most likely to have a similar disease.
Dr. Senthilkumar N C, Asso Prof, SITE
15
Categorical Variables:
generalization of the binary variable in that it can take more than 2 states,
e.g., red, yellow, blue, green
Let the number of states of a categorical variable be M. The states can be denoted
by letters, symbols, or a set of integers, such as 1, 2, … , M.
The dissimilarity between two objects i and j can be computed based on the ratio
of mismatches: d ( i , j )  p  m
p
m: # of matches, p: total # of variables
One categorical variable so p=1
Dr. Senthilkumar N C, Asso Prof, SITE
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Ordinal Variables:
A discrete ordinal variable resembles a categorical variable, except that the M
states of the ordinal value are ordered in a meaningful sequence
An ordinal variable can be discrete or continuous
Can be treated like interval-scaled when computing the dissimilarity between
objects.
An ordinal variable f has Mf states. ordered states to ranking 1,.., Mf
r if  {1,..., M f }
-
replace xif by their rank
-
map the range of each variable onto [0, 1] by replacing i-th object in the f-th
variable by
-
z
if
r if  1

M f  1
compute the dissimilarity using methods for interval-scaled variables
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There are three states for test2, namely fair, good, and
excellent, that is Mf =3.
For step 1, replace each value
for test-2 by its rank, the four
objects are assigned the ranks
3, 1, 2, and 3, respectively.
For step 2 normalizes the ranking by mapping:
For rank 1 = (1 – 1) / (3 – 1) =0
For rank 2 = (2 – 1) / (3 – 1) =0.5
For rank 3 = (3 – 1) / (3 – 1) =1
So test2 (1
0
0.5
1)
For step 3, we can use Euclidean distance.
Dr. Senthilkumar N C, Asso Prof, SITE
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Ratio-Scaled Variables:
a positive measurement on a nonlinear scale, approximately at exponential
scale, such as AeBt or Ae-Bt
where A and B are positive constants, and t typically represents time.
Methods:
1. treat them like interval-scaled variables
—not a good choice - the scale can be distorted.
2. apply logarithmic transformation yif = log(xif), The yif values can be treated as
interval valued,
3. treat them as continuous ordinal data treat their rank as interval-scaled
Dr. Senthilkumar N C, Asso Prof, SITE
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Taking the log of test-3
results in the values
2.65, 1.34, 2.21, and 3.08
for the objects 1 to 4,
respectively.
Using
the
distance
Euclidean
on
the
transformed values, we
obtain
the
following
dissimilarity matrix
Dr. Senthilkumar N C, Asso Prof, SITE
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Variables of Mixed Types:
A database may contain all the six types of variables
interval-scaled, symmetric binary, asymmetric binary, categorical, ordinal,
or ratio-scaled.
One approach is to group each kind of variable together, performing a separate
cluster analysis for each variable type.
A more preferable approach is to process all variable types together, performing
a single cluster analysis.
One such technique combines the different variables into a single dissimilarity
matrix, bringing all of the meaningful variables onto a common scale of the
interval [0.0,1.0].
Dr. Senthilkumar N C, Asso Prof, SITE
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The dissimilarity d(i, j) between objects i and j is defined as
if either (1) xif or xjf is missing or (2) xif = xjf = 0 and
variable f is asymmetric binary; Otherwise
If f is ratio-scaled: either perform logarithmic transformation and treat the
transformed data as interval-scaled; or treat f as continuous ordinal data,
compute rif and zif, and then treat zif as interval-scaled.
Dr. Senthilkumar N C, Asso Prof, SITE
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test-1 (which is categorical) and test-2 (which is ordinal) are the same as
outlined above for processing variables of mixed types.
For test-3 (which is ratio-scaled) already applied a logarithmic transformation to
its values. Based on the transformed values of 2.65, 1.34, 2.21, and 3.08
obtained for the objects 1 to 4, respectively,
we let maxhxh =3.08 and minhxh =1.34
Dr. Senthilkumar N C, Asso Prof, SITE
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Based on the transformed values of 2.65, 1.34, 2.21, and 3.08 obtained for the
objects 1 to 4
then normalize the values in the dissimilarity matrix by dividing each one by
(3.08-1.34) = 1.74.
This results in the following dissimilarity matrix for test-3.
Eg:. d(2,1) = (2.65 – 1.34) / 1.74
= 0.75
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test2 (1
0
0.5
1)
Eg:. d(2,1) = (1-0) / (1-0) = 1
the dissimilarity matrices for the three variables.
Eg:. d(2,1) =
= 0.92
Dr. Senthilkumar N C, Asso Prof, SITE
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Major Clustering Approaches
Partitioning approach:
- Given a database of n objects or data tuples, a partitioning method constructs k
partitions of the data, where each partition represents a cluster and k <= n
- satisfy the following requirements:
(1) each group must contain at least one object
(2) each object must belong to exactly one group
- Given k, the number of partitions to construct, a partitioning method creates an
initial partitioning.
- It then uses an iterative relocation technique that attempts to improve the
partitioning by moving objects from one group to another.
- Typical methods: k-means, k-medoids, CLARANS
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Centroid-Based Technique: The k-Means Method
takes the input parameter, k, and partitions a set of n objects into k
clusters The k-means algorithm proceeds as follows:
First, it randomly selects k of the objects, each of which initially represents a
cluster mean or center.
For each of the remaining objects, an object is assigned to the cluster to which
it is the most similar, based on the distance between the object and the cluster
mean.
Then computes the new mean for each cluster.
This process iterates until no changes.
Dr. Senthilkumar N C, Asso Prof, SITE
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Dr. Senthilkumar N C, Asso Prof, SITE
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Example A(2, 2), B(3, 2), C(5, 4), D(6, 5)
K = 2,
Initial seeds: Seed1 (2, 2), Seed 2 (3, 2)
Iteration :1
Data
Calculate Euclidean distance with seed 1 and seed 2
Distance with seed1 Distance with seed2 cluster
(2,2)
(3,2)
A (2, 2)
B (3, 2)
C (5, 4)
D (6, 5)
0
1
1
1
0
2
3.6
2.83
2
5
4.24
2
Cluster1 
{A}
Cluster2 
{B, C, D}
New Mean (C1) = (2, 2)
New Mean (C2) = ( (3 + 5 + 6) / 3 , (2 + 4 + 5) / 3 ) = (4.6, 3.6)
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Iteration :2
Seed1 (2, 2), Seed 2 (4.6, 3.6)
Calculate Euclidean distance with seed 1 and seed 2
Data
A (2, 2)
B (3, 2)
C (5, 4)
D (6, 5)
Distance with seed1 Distance with seed2 cluster
(2,2)
(4.6, 3.6)
0
3.05
1
1
2.26
1
3.6
0.56
2
5
1.98
2
Cluster1  {A, B}
Cluster2  {C, D}
New Mean (C1) = ( (2 + 3) / 2 , (2 + 2) / 2 ) = (2.5, 2)
New Mean (C2) = ((5 + 6) / 2 , (4 + 5) / 3) = (5.5, 4.5)
Dr. Senthilkumar N C, Asso Prof, SITE
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Iteration :3
Seed1 (2.5, 2), Seed 2 (5.5, 4.5)
Calculate Euclidean distance with seed 1 and seed 2
Data
Distance with seed1 Distance with seed2 cluster
(2.5, 2)
(5.5, 4.5)
A (2, 2)
B (3, 2)
C (5, 4)
D (6, 5)
0.5
4.3
1
0.5
3.53
1
3.20
0.707
2
4.61
0.707
2
Cluster1  {A, B}
Cluster2  {C, D}
The current iteration clusters and the previous iteration clusters are same.
So final Clusters are
Cluster1  {A, B}
Cluster2  {C, D}
Dr. Senthilkumar N C, Asso Prof, SITE
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The K-Means Clustering Method
Example
10
9
8
7
6
5
10
10
9
9
8
8
7
7
6
6
5
5
4
4
3
2
1
0
0
1
2
3
4
5
6
7
8
K=2
Arbitrarily choose K
object as initial
cluster center
9
10
Assign
each
objects
to most
similar
center
Update
the
cluster
means
3
2
1
0
0
1
2
3
4
5
6
7
8
9
10
4
3
2
1
0
0
1
2
3
4
5
6
7
8
9
10
reassign
10
10
9
9
8
8
7
7
6
6
5
4
3
2
1
0
0
1
2
3
4
5
6
7
8
9
10
Update
the
cluster
means
5
4
3
2
1
0
0
1
2
3
4
5
6
7
8
Dr. Senthilkumar N C, Asso Prof, SITE
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10
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Representative Object-Based Technique: The k-Medoids Method:
Instead of taking the mean value of the objects in a cluster as a reference point,
using one representative object per cluster from the actual objects.
Each remaining object is clustered with the representative object to which it is the
most similar.
The partitioning method is then performed based on the principle of minimizing
the sum of the dissimilarities between each object and its corresponding reference
point.
PAM(Partitioning Around Medoids) was one of the first k-medoids algorithms
introduced.
It attempts to determine k partitions for n objects.
Dr. Senthilkumar N C, Asso Prof, SITE
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After an initial random selection of k representative objects, the algorithm
repeatedly tries to make a better choice of cluster representatives.
All of the possible pairs of objects are analyzed, where one object in each pair is
considered a representative object and the other is not.
The quality of the resulting clustering is calculated for each such combination.
The set of best objects for each cluster in one iteration forms the representative
objects for the next iteration.
The final set of representative objects are the respective medoids of the clusters.
Dr. Senthilkumar N C, Asso Prof, SITE
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Dr. Senthilkumar N C, Asso Prof, SITE
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The initial representative objects (or seeds) are chosen arbitrarily.
The iterative process of replacing representative objects by non-representative
objects continues as long as the quality of the resulting clustering is improved.
This quality is estimated using a cost function that measures the average
dissimilarity between an object and the representative object of its cluster.
To determine whether a non-representative object, orandom, is a good replacement
for a current representative object, oj, the following four cases are examined for
each of the non-representative objects, p.
Case 1: p currently belongs to representative object, oj.
If oj is replaced by orandom as a representative object
and p is closest to one of the other representative objects,
oi, i ≠ j, then p is reassigned to oi.
Dr. Senthilkumar N C, Asso Prof, SITE
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Case 2: p currently belongs to representative object, oj.
If oj is replaced by orandom as a representative object
and p is closest to orandom, then p is reassigned to
orandom.
Case 3: p currently belongs to representative object, oi,
i ≠ j. If oj is replaced by orandom as a representative
object and p is still closest to oi, then the assignment
does not change.
Case 4: p currently belongs to representative object, oi,
i ≠ j. If oj is replaced by orandom as a representative
object and p is closest to orandom, then p is reassigned to
orandom.
Dr. Senthilkumar N C, Asso Prof, SITE
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Hierarchical Clustering:
A hierarchical clustering method works by grouping data objects into a tree of
clusters.
Hierarchical clustering methods can be further classified as either
agglomerative
or
divisive,
depending
on
whether
the
hierarchical
decomposition is formed in a bottom-up (merging) or top-down (splitting)
fashion.
Step 0
a
b
c
d
e
Step 4
Step 1
Step 2 Step 3 Step 4
agglomerative
(AGNES)
ab
abcde
cde
de
Step 3
Step 2 Step 1 Step 0
divisive
(DIANA)
Dr. Senthilkumar N C, Asso Prof, SITE
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AGNES (AGglomerative NESting)
bottom-up strategy starts by placing each object in its own cluster and then merges
these atomic clusters into larger and larger clusters, until all of the objects are in a
single cluster or until certain termination conditions are satisfied.
Single-linkage approach - similarity between two clusters is measured by the
similarity of the closest pair of data points belonging to different clusters. The
cluster merging process repeats until all of the objects are eventually merged to
form one cluster.
DIANA (DIvisive ANAlysis)
top-down (splitting) fashion. All of the objects are used to form one initial cluster.
The cluster is split based on the maximum Euclidean distance between the closest
neighboring objects in the cluster.
The cluster splitting process repeats until, eventually, each new cluster contains
only a single object.
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A tree structure called a dendrogram is commonly used to represent the process
of hierarchical clustering.
It shows how objects are grouped together step by step.
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Four widely used measures for distance between clusters are as follows,
where | p – p’| is the distance between two objects or points, p and p’.
mi is the mean for cluster, Ci.
ni is the number of objects in Ci.
Minimum distance, nearest-neighbor clustering algorithm or single-linkage
algorithm (Minimal spanning tree algorithm)
Maximum distance, farthest-neighbor clustering algorithm or complete-linkage
algorithm
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The Agglomerative algorithm is carried out in three steps:
Convert object attributes to distance
matrix
Set each object as a cluster (thus if we
have N objects, we will have N
clusters at the beginning)
Repeat until number of cluster is one
(or known # of clusters)
Merge two closest clusters
Update distance matrix
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Example :
data matrix
distance matrix
A
A
B
C
D
E
F
B
C
D
E
F
0
0
0
0
0
0
Euclidean distance
Dr. Senthilkumar N C, Asso Prof, SITE
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Merge two closest clusters (iteration 1)
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Update distance matrix (iteration 1)
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Merge two closest clusters (iteration 2)
Dr. Senthilkumar N C, Asso Prof, SITE
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Update distance matrix (iteration 2)
or
d(DF) -> (AB) = min(d(DF),A, d(DF), B)
= min (3.20, 2.50)
= 2.50
Dr. Senthilkumar N C, Asso Prof, SITE
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Merge two closest clusters/update distance matrix (iteration 3)
d((DF),E) -> (AB) = min(d(DF),(AB), dE,(AB))
= min (2.50, 3.54) = 2.50
d((DF),E) -> C = min(d(DF),C, dE,C)
= min (2.24, 1.41) = 1.41
Dr. Senthilkumar N C, Asso Prof, SITE
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Merge two closest clusters/update distance matrix (iteration 4)
Dr. Senthilkumar N C, Asso Prof, SITE
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Final result (meeting termination condition)
Dr. Senthilkumar N C, Asso Prof, SITE
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Dendrogram tree representation
1. In the beginning we have 6 clusters: A, B, C,
D, E and F
2. We merge clusters D and F into cluster (D, F)
6
at distance 0.50
distance 0.71
lifetime
3. We merge cluster A and cluster B into (A, B) at
5
4. We merge clusters E and (D, F) into ((D, F),
4
E) at distance 1.00
5. We merge clusters ((D, F), E) and C into (((D,
3
2
F), E), C) at distance 1.41
6. We merge clusters (((D, F), E), C) and (A, B)
object
into ((((D, F), E), C), (A, B)) at distance 2.50
7. The last cluster contain all the objects, thus
conclude the computation
Dr. Senthilkumar N C, Asso Prof, SITE
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Density-Based Methods:
To discover clusters with arbitrary shape, density-based clustering methods have
been developed.
These are clusters as dense regions of objects in the data space that are separated
by regions of low density (representing noise).
DBSCAN (Density-Based Spatial Clustering of Applications with Noise) grows
clusters according to a density-based connectivity analysis.
OPTICS (Ordering Points to Identify the Clustering Structure) extends DBSCAN
to produce a cluster ordering obtained from a wide range of parameter settings.
DENCLUE (DENsity-based CLUstEring) clusters objects based on a set of
density distribution functions.
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DBSCAN (Density-Based Spatial Clustering of Applications with Noise):
The algorithm grows regions with sufficiently high density into clusters and
discovers clusters of arbitrary shape in spatial databases with noise.
The basic ideas of density-based clustering involve a number of new
definitions.
The neighborhood within a radius ε (epsilon symbol) of a given object is
called the ε-neighborhood of the object.
If the ε-neighborhood of an object contains at least a minimum number,
MinPts, of objects, then the object is called a core object.
Given a set of objects, D, an object p is directly density-reachable from
object q if p is within the ε-neighborhood of q, and q is a core object.
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An object p is density-reachable from object q with respect to ε and MinPts in a
set of objects, D, if there is a chain of objects p1, … , pn, where p1 = q and pn = p
such that pi+1 is directly density-reachable from pi with respect to ε and MinPts,
for 1 ≤ i ≤ n, pi
D.
An object p is density-connected to object q with respect to ε and MinPts in a set
of objects, D, if there is an object o
D such that both p and q are density-
reachable from o with respect to ε and MinPts.
Eg.: ε represented by the radius of the circles and MinPts = 3.
m, p, o, and r are core objects
because each is in an
ε-neighborhood containing
at least three points.
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q is directly density-reachable from m. m is directly density-reachable from p and
vice versa.
q is (indirectly) density-reachable from p because q is directly density-reachable
from m and m is directly density-reachable from p.
p is not density-reachable from q because q is not a core object.
r and s are density-reachable from o, and o is density-reachable from r.
o, r, and s are all density-connected.
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A density-based cluster is a set of density-connected objects that is maximal
with respect to density-reachability.
Every object not contained in any cluster is considered to be noise.
DBSCAN searches for clusters by checking the ε-neighborhood of each point
in the database.
If the ε-neighborhood of a point p contains more than MinPts, a new cluster
with p as a core object is created.
DBSCAN then iteratively collects directly density-reachable objects from
these core objects, which may involve the merge of a few density-reachable
clusters.
The process terminates when no new point can be added to any cluster.
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Module 6: Advanced Classification Methods

Bayesian Belief Networks

Classification by Back propagation

Lazy Learners

Genetic Algorithm

Rough Set Approach
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Bayesian Belief Networks
The naive Bayesian classifier makes the assumption of class conditional
independence, that is, given the class label of a tuple, the values of the attributes
are assumed to be conditionally independent of one another.
When the assumption holds true, then the naïve Bayesian classifier is the most
accurate in comparison with all other classifiers.
But dependencies can exist between variables.
Bayesian belief networks specify joint conditional probability distributions.
Allows class conditional independencies to be defined between subsets of
variables.
They provide a graphical model of causal relationships, on which learning can be
performed. Trained Bayesian belief networks can be used for classification.
Also known as belief networks, Bayesian networks, and probabilistic networks.
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A belief network is defined by two components
a directed acyclic graph and a set of conditional probability tables.
Each node in the directed acyclic graph represents a random variable.
The variables may be discrete- or continuous-valued. They may correspond to
actual attributes given in the data or to “hidden variables” believed to form a
relationship.
Each arc represents a probabilistic dependence. If an arc is drawn from a node Y
to a node Z, then Y is a parent or immediate predecessor of Z, and Z is a
descendant of Y.
Each variable is conditionally independent of its non-descendants in the graph,
given its parents.
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Having lung cancer is influenced by a person’s
family history of lung cancer, as well as whether or
not the person is a smoker.
PositiveXRay is independent of whether the patient
has a family history of lung cancer or is a smoker,
given that we know the patient has lung cancer.
In other words, once we know the outcome of the
variable
LungCancer,
then
the
variables
FamilyHistory and Smoker do not provide any
additional information regarding PositiveXRay.
The arcs also show that the variable LungCancer is
conditionally independent of Emphysema, given its
parents, FamilyHistory and Smoker.
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A belief network has one conditional probability table (CPT) for each variable.
The CPT for a variable Y specifies the conditional distribution P(Y | Parents(Y)),
where Parents(Y) are the parents of Y.
The conditional probability for each known value of LungCancer is given for
each possible combination of the values of its parents.
Let X = (x1, .. , xn) be a data tuple described by the variables or attributes Y1, ..,
Yn, respectively.
Recall that each variable is conditionally independent of its nondescendants in the
network graph, given its parents.
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This allows the network to provide a complete representation of the existing joint
probability distribution with the following equation:
where P(x1, .. , xn) is the probability of a particular combination of values of X,
and the values for P(xi | Parents(Yi)) correspond to the entries in the CPT for Yi .
A node within the network can be selected as an “output” node, representing a
class label attribute.
There may be more than one output node. Various algorithms for inference and
learning can be applied to the network.
Rather than returning a single class label, the classification process can return a
probability distribution that gives the probability of each class.
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Classification by Backpropagation
is a neural network learning algorithm.
A neural network is a set of connected input/output units in which each
connection has a weight associated with it.
During the learning phase, the network learns by adjusting the weights so as to be
able to predict the correct class label of the input tuples.
Neural network learning is also referred to as connectionist learning due to the
connections between units.
A Multilayer Feed-Forward Neural Network:
The backpropagation algorithm performs learning on this network.
It iteratively learns a set of weights for prediction of the class label of tuples.
It consists of an input layer, one or more hidden layers, and an output layer.
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Each layer is made up of units. The inputs to the network correspond to the
attributes measured for each training tuple.
The inputs are fed simultaneously into the units making up the input layer.
These inputs pass through the input layer and are then weighted and fed
simultaneously to a second layer known as a hidden layer.
The outputs of the hidden layer units can be input to another hidden layer, and so
on.
The weighted outputs of the last hidden layer are input to units making up the
output layer, which emits the network’s prediction for given tuples.
The units in the input layer are called input units. The units in the hidden layers
and output layer are sometimes referred to as output units.
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The multilayer neural network has two layers of output units is called two-layer
neural network.
Similarly, a network containing two hidden layers is called a three-layer neural
network, and so on.
It is a feed-forward network since none of the weights cycles back to an input unit
or to a previous layer’s output unit.
It is fully connected in that each unit provides input to each unit in the next
forward layer.
Each output unit takes, as input, a weighted sum of the outputs from units in the
previous layer. It applies a nonlinear (activation) function to the weighted input.
From a statistical point of view, they perform nonlinear regression.
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Backpropagation:
Backpropagation learns by iteratively processing a data set of training tuples,
comparing the network’s prediction for each tuple with the actual known target
value.
The target value may be the known class label of the training tuple (for
classification problems) or a continuous value (for numeric prediction).
For each training tuple, the weights are modified so as to minimize the meansquared error between the network’s prediction and the actual target value.
These modifications are made in the “backwards” direction (i.e., from the output
layer) through each hidden layer down to the first hidden layer (hence the name
backpropagation).
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Backpropagation algorithm steps:
Initialize the weights:
The weights in the network are initialized to small random numbers (e.g., ranging
from -1.0 to 1.0, or -0.5 to 0.5). Each unit has a bias associated with it. The biases
are similarly initialized to small random numbers.
Each training tuple, X, is processed by the following steps.
Propagate the inputs forward:
First, the training tuple is fed to the network’s input layer. The inputs pass
through the input units, unchanged. That is, for an input unit, j, its output, Oj, is
equal to its input value, Ij.
Net input and output of each unit in the hidden and output layers are computed.
The net input to a unit in the hidden or output layers is computed as a linear
combination of its inputs.
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Each such unit has a number of inputs to it that are, the outputs of the units
connected to it in the previous layer.
Each connection has a weight. To compute the net input to the unit, each input
connected to the unit is multiplied by its corresponding weight, and this is
summed.
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Given a unit, j in a hidden or output layer, the net input, Ij , to unit j is
where wij is the weight of the connection from unit i in the previous layer to unit j;
Oi is the output of unit i from the previous layer; and θj is the bias of the unit.
Each unit in the hidden and output layers takes its net input and then applies an
activation function (logistic, or sigmoid) to it.
Given the net input Ij to unit j, then Oj , the output of unit j, is computed as
This function is also referred to as a squashing function, because it maps a large
input domain onto the smaller range of 0 to 1.
Compute the output values, Oj , for each hidden layer including the output layer,
which gives the network’s prediction
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Backpropagate the error:
The error is propagated backward by updating the weights and biases to reflect the
error of the network’s prediction.
For a unit j in the output layer, the error Errj is computed by
where Oj is the actual output of unit j, and Tj is the known target value of the given
training tuple. Note that Oj(1 – Oj) is the derivative of the logistic function.
To compute the error of a hidden layer unit j, the weighted sum of the errors of the
units connected to unit j in the next layer are considered.
The error of a hidden layer unit j is
where wjk is the weight of the connection from unit j to a unit k in the next higher
layer, and Errk is the error of unit k.
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The weights and biases are updated to reflect the propagated errors.
Weights are updated by the following equations, where Δwij is the change in
weight wij :
The variable l is the learning rate, a constant typically having a value between 0.0
and 1.0.
Biases are updated by the following equations, where Δθj is the change in bias θj:
case updating : updating the weights and biases after the presentation of each
tuple.
epoch updating: the weight and bias increments could be accumulated in
variables, so that the weights and biases are updated after all the tuples in the
training set have been presented, where one iteration through the training set is an
epoch.
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Terminating condition:
Training stops when
All Δwij in the previous epoch are so small as to be below some specified
threshold, or
The percentage of tuples misclassified in the previous epoch is below
some threshold, or
A prespecified number of epochs has expired.
Eg.:
The learning rate (l) be 0.9. and training tuple X = (1, 0, 1) with class label of 1
Initial Input, Weight, and Bias values:
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Net input for unit 4:
I4 = (w14)(x1) + (w24)(x2) + (w34)(x3) + θ4
= (0.2 * 1) + (0.4 * 0) + (-0.5 * 1) + (-0.4)
= 0.2 + 0 - 0.5 - 0.4
= -0.7
Output O4 =
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Calculation of the Error at Each Node:
Err6 = 0.474 *(1 – 0.474) *(1 – 0.474)
= 0.1311
Err5 = 0.525 * ( 1 – 0.525) * (0.1311 * -0.2)
= -0.0065
Err4 =
Calculations for Weight Updating:
w46 = w46 + (l * Err6 * O4)
= - 0.3 + (0.9 * 0.1311 * 0.332)
= - 0.261
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Calculations for Bias Updating:
Δθ6 = θ6 + (l * Err6)
= 0.1 + (0.9 * 0.1311)
= 0.218
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Lazy Learners (or Learning from Your Neighbors):
Type of learners:
Eager learners, when given a set of training tuples, will construct a
generalization model before receiving new tuples to classify.
Eg.: decision tree induction, Bayesian classification, rule-based classification,
classification by backpropagation, support vector machines, and classification
based on association rule mining.
Lazy learners, in which the learner waits until the last minute before doing any
model construction to classify a given test tuple. That is, when given a training
tuple, a lazy learner simply stores it and waits until it is given a test tuple.
Only when it sees the test tuple does it perform generalization to classify the tuple
based on its similarity to the stored training tuples.
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Lazy learners do less work when a training tuple is presented and more work
when making a classification or numeric prediction.
Also referred to as instance-based learners because they store the training tuples
or “instances”.
Two examples of lazy learners:
k-nearest-neighbor classifiers and case-based reasoning classifiers.
k-Nearest-Neighbor Classifiers:
widely used in the area of pattern recognition.
Nearest-neighbor classifiers are based on learning by analogy, that is, by
comparing a given test tuple with training tuples that are similar to it.
The training tuples are described by n attributes. Each tuple represents a point in
an n-dimensional space.
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When given an unknown tuple, a k-nearest-neighbor classifier searches the
pattern space for the k training tuples that are closest to the unknown tuple.
These k training tuples are the k “nearest neighbors” of the unknown tuple.
“Closeness” is defined based on distance metric using Euclidean distance.
First, the values of each attribute are normalized before finding distance.
(attributes with initially large ranges to smaller ranges).
Min-max normalization can be used to transform a value v of a numeric attribute
A to v’ in the range [0, 1] by computing
where minA and maxA are the minimum and maximum values of attribute A.
Then the Euclidean distance between two points or tuples, X1 = (x11, x12,.., x1n)
and X2 = (x21, x22, .. , x2n), is
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For k-nearest-neighbor classification, the unknown tuple is assigned the most
common class among its k-nearest neighbors.
When k = 1, the unknown tuple is assigned the class of the training tuple that is
closest to it in pattern space.
Numeric prediction:
Nearest-neighbor classifiers return a real-valued prediction for a given unknown
tuple.
In k-nearest-neighbor, the classifier returns the average value of the real-valued
labels associated with the k-nearest neighbors of the unknown tuple.
Distance calculation for Nominal or categorical (eg., color):
Simple method is to compare the corresponding value of the attribute in tuple X1
with that in tuple X2. If the two are identical, then the difference between the two
is taken as 0. Otherwise 1.
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Missing values:
If the value of a given attribute A is missing in tuple X1 and/or in tuple X2, the
maximum possible difference is taken.
Eg.: each of the attributes has been mapped to the range [0, 1].
If A is nominal attribute, the difference value to be 1 if either one or both of the
corresponding values of A are missing.
If A is numeric and missing from both tuples X1 and X2, then the difference is also
taken to be 1.
If only one value is missing and the other (v’) is present and normalized, then the
difference to be either |1 – v’| or |0 – v’|, whichever is greater.
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To determine a good value for k (the number of neighbors):
This can be determined experimentally. Starting with k = 1, use a test set to
estimate the error rate of the classifier.
This process can be repeated each time by incrementing k to allow for one more
neighbor.
The k value that gives the minimum error rate may be selected.
Speedup the process:
Nearest-neighbor classifiers can be extremely slow when classifying test tuples.
If D is a training database of |D| tuples and k=1, then O|D| comparisons are
required to classify a given test tuple.
The number of comparisons can be reduced by presorting and arranging the stored
tuples into search trees.
Parallel implementation can reduce the running time.
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Other techniques to speed up classification time:
partial distance calculations and editing the stored tuples.
In the partial distance method, the distance computed based on a subset of the n
attributes. If this distance exceeds a threshold, then further computation for the
given stored tuple is halted, and the process moves on to the next stored tuple.
The editing method removes training tuples that prove useless. This method is also
referred to as pruning or condensing because it reduces the total number of tuples
stored.
Case-Based Reasoning (CBR):
- classifiers use a database of problem solutions to solve new problems.
-stores the tuples or “cases” for problem solving as complex symbolic descriptions.
nearest-neighbor classifiers store training tuples as points in Euclidean space.
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When given a new case to classify, a CBR will first check if an identical training
case exists. If one is found, then the accompanying solution to that case is returned.
If no identical case is found, then the case-based reasoner will search for training
cases having components that are similar to those of the new case. Conceptually,
these training cases may be considered as neighbors of the new case.
If cases are represented as graphs, this involves searching for subgraphs that are
similar to subgraphs within the new case.
The case-based reasoner tries to combine the solutions of the neighboring training
cases to propose a solution for the new case.
If incompatibilities arise with the individual solutions, then backtracking to search
for other solutions may be necessary. The case-based reasoner may employ
background knowledge and problem-solving strategies to propose a feasible
combined solution.
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Challenges:
- finding a good similarity metric and suitable methods for combining solutions.
- selection of salient features for indexing training cases and the development of
efficient indexing techniques.
A trade-off between accuracy and efficiency evolves as the number of stored cases
becomes very large.
As this number increases, the case-based reasoner becomes more intelligent.
After a certain point, however, the system’s efficiency will suffer as the time
required to search for and process relevant cases increases.
As with nearest-neighbor classifiers, one solution is to edit the training database.
Cases that are redundant or that have not proved useful may be discarded for the
sake of improved performance.
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Genetic Algorithms:
An initial population is created consisting of randomly generated rules.
Each rule can be represented by a string of bits.
Example: samples in a given training set are described by two Boolean attributes,
A1 and A2, and that there are two classes, C1 and C2.
The rule “IF A1 AND NOT A2 THEN C2” can be encoded as the bit string “100,”.
The rule “IF NOT A1 AND NOT A2 THEN C1” can be encoded as “001.”
If an attribute has k values, where k > 2, then k bits may be used to encode the
attribute’s values.
Classes can be encoded in a similar fashion.
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New population is formed to consist of the fittest rules in the current population, as
well as offspring of these rules.
Fitness of a rule is assessed by its classification accuracy on a set of training
samples.
Offspring are created by applying genetic operators such as crossover and
mutation.
In crossover, substrings from pairs of rules are swapped to form new pairs of rules.
In mutation, randomly selected bits in a rule’s string are inverted.
The process of generating new populations based on prior populations of rules
continues until a population, P, evolves where each rule in P satisfies a prespecified fitness threshold.
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Rough Set Approach:
This can be used for classification to discover structural relationships within
imprecise or noisy data.
This approach can only be applied on discrete-valued attributes. Therefore,
continuous-valued attributes must be discretized before its use.
The Rough Set Theory is based on the establishment of equivalence classes within
the given training data. The tuples that forms the equivalence class are
undetectable. It means the samples are identical with respect to the attributes
describing the data.
There are some classes in the given real world data, which cannot be distinguished
in terms of available attributes. So rough sets are used to roughly define such
classes.
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For a given class C, the rough set definition is approximated by two sets as follows:
Lower Approximation of C − The lower approximation of C consists of all the data
tuples, that based on the knowledge of the attribute, are certain to belong to class C.
Upper Approximation of C − The upper approximation of C consists of all the
tuples, that based on the knowledge of attributes, cannot be described as not
belonging to C.
Each rectangular region represents an equivalence class. Decision rules can be
generated for each class.
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