Unit 5 - Machine Learning
Unit 5 - Machine Learning
UNIT 5
Machine Learning
Course Leader(s):
Mr. Naren J [Link]
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Machine Learning
Arthur Samuel, a pioneer in the field of artificial intelligence and computer gaming, coined
the term “Machine Learning” as – “Field of study that gives computers the capability
to learn without being explicitly programmed”.
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Terminologies in Machine Learning:
Model: A model is a specific representation learned from data by applying some machine
learning algorithm. A model is also called hypothesis.
Feature: A feature is an individual measurable property of our data. A set of numeric features
can be conveniently described by a feature vector. Feature vectors are fed as input to the
model. For example, in order to predict a fruit, there may be features like color, smell,
taste, etc.
Target(Label): A target variable or label is the value to be predicted by our model. For the fruit
example discussed in the features section, the label with each set of input would be the name
of the fruit like apple, orange, banana, etc.
Training: The idea is to give a set of inputs(features) and it’s expected outputs(labels), so after
training, we will have a model (hypothesis) that will then map new data to one of the
categories trained on.
Prediction: Once our model is ready, it can be fed a set of inputs to which it will provide a
predicted output(label).
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Types of Learning
• Supervised Learning
• Unsupervised Learning
• Semi-Supervised Learning
1. Supervised Learning: Supervised learning is when the model is getting trained on a labelled
dataset. Labelled dataset is one which have both input and output parameters. In this type of
learning both training and validation datasets are labelled as shown in the figures below.
Classification Regression 6
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Types of Supervised Learning:
• Classification
• Regression
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Example of Supervised Learning Algorithms:
Linear Regression
Nearest Neighbor
Decision Trees
Random Forest
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Unsupervised Learning:
Unsupervised learning is the training of machine using information that is neither
classified nor labeled and allowing the algorithm to act on that information without
guidance. Here the task of machine is to group unsorted information according to
similarities, patterns and differences without any prior training of data. Unsupervised
machine learning is more challenging than supervised learning due to the absence of
labels.
Clustering
Association
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Clustering: A clustering problem is where you want to discover the inherent groupings
in the data, such as grouping customers by purchasing behavior.
Association: An association rule learning problem is where you want to discover rules
that describe large portions of your data, such as people that buy X also tend to buy Y.
The most basic disadvantage of any Supervised Learning algorithm is that the
dataset has to be hand-labeled either by a Machine Learning Engineer or a Data
Scientist. This is a very costly process, especially when dealing with large volumes
of data. The most basic disadvantage of any Unsupervised Learning is that
it’s application spectrum is limited. 10
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Semi-supervised machine learning:
To counter these disadvantages, the concept of Semi-Supervised Learning was introduced. In this
type of learning, the algorithm is trained upon a combination of labeled and unlabeled data.
Typically, this combination will contain a very small amount of labeled data and a very large
amount of unlabeled data.
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Model with labellled data and model with both labelled and unlabelled data
Intuitively, one may imagine the three types of learning algorithms as Supervised learning where a
student is under the supervision of a teacher at both home and school, Unsupervised learning
where a student has to figure out a concept himself and Semi-Supervised learning where a
teacher teaches a few concepts in class and gives questions as homework which are based on
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similar concepts.
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REGRESSION
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Types of regression
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Simple Linear regression
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• The sloped straight line
representing the linear
relationship that fits
the given data best is
called as a regression
line.
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For simple linear regression, the form of the model is-
Y = β 0 + β 1X
Here,
•Y is a dependent variable.
•X is an independent variable.
•β0 and β1 are the regression coefficients.
•β0 is the intercept or the bias that fixes the offset to a line.
•β1 is the slope or weight that specifies the factor by which X has
an impact on Y.
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Predicting C02 emission with engine size feature using
simple linear regression
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from sklearn import linear_model
regr = linear_model.LinearRegression()
train_x = [Link](train[['ENGINESIZE']])
train_y = [Link](train[['CO2EMISSIONS']])
# The coefficients
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Multiple linear regression
• Multiple regression is an
extension of simple linear
regression. It is used
when we want to predict
the value of a variable
based on the value of two
or more other variables.
The variable we want to
predict is called the
dependent variable (or
sometimes, the outcome,
target or criterion
variable).
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Simple linear regression
• Predict CO2 emission vs Engine size of all cars
- Independent variable(x) : Engine size
-Dependent variable(y):CO2 emission
Multiple linear regression
• Predict CO2 emission vs Engine size and cylinders of all car
-Independent variable(x) : engine size,cylinders
-Dependent variable(y):CO2 emission
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from sklearn import linear_model
regr = linear_model.LinearRegression()
train_x = [Link](train[['ENGINESIZE','CYLINDERS']])
train_y = [Link](train[['CO2EMISSIONS']])
# The coefficients
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Polynomial regression
• Polynomial Regression is a
form of linear regression in
which the relationship
between the independent
variable x and dependent
variable y is modelled as
an nth degree polynomial.
Polynomial regression fits a
nonlinear relationship
between the value of x and
the corresponding conditional
mean of y, denoted E(y |x)
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from [Link] import PolynomialFeatures
train_x = [Link](train[['ENGINESIZE','CYLINDERS']])
train_y = [Link](train[['CO2EMISSIONS']])
test_x = [Link](test[['ENGINESIZE']])
test_y = [Link](test[['CO2EMISSIONS']])
poly = PolynomialFeatures(degree=2)
train_x_poly = poly.fit_transform(train_x)
train_x_poly.shape
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fit_transform takes our x values, and output a list of our data raised from
power of 0 to power of 2 (since we set the degree of our polynomial to 2).
in our example
clf = linear_model.LinearRegression()
train_y_ = [Link](train_x_poly, train_y)
# The coefficients
print ('Coefficients: ', clf.coef_)
print ('Intercept: ',clf.intercept_)
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Decision tree regression
Decision tree builds regression models in the form of a tree structure. It breaks down a
dataset into smaller and smaller subsets while at the same time an associated decision
tree is incrementally developed. The final result is a tree with decision nodes and leaf
nodes. A decision node (e.g., Outlook) has two or more branches (e.g., Sunny, Overcast
and Rainy), each representing values for the attribute tested. Leaf node (e.g., Hours
Played) represents a decision on the numerical target. The topmost decision node in a
tree which corresponds to the best predictor called root node. Decision trees can
handle both categorical and numerical data.
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Code:
# import the regressor
from [Link] import DecisionTreeRegressor
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Approach :
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Code
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Pros and cons
binomial: Target variable can have only 2 possible types: “0” or “1” which may represent “win” vs “loss”, “pass” vs “fail”,
“dead” vs “alive”, etc.
multinomial: Target variable can have 3 or more possible types which are not ordered(i.e. types have no quantitative
significance) like “disease A” vs “disease B” vs “disease C”.
ordinal: It deals with target variables with ordered categories. For example, a test score can be
categorized as:“very poor”, “poor”, “good”, “very good”. Here, each category can be given a score like
0, 1, 2, 3.
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•Start with binary class problems
How do we develop a classification algorithm?
• Tumour size vs malignancy (0 or 1)
• We could use linear regression
• Then threshold the classifier output (i.e. anything over some value is yes, else no)
• In our example below linear regression with thresholding seems to work
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•We can see above this does a reasonable job of stratifying the data points into one of two classes
• But what if we had a single Yes with a very small tumour
• This would lead to classifying all the existing yeses as nos
•Another issues with linear regression
• We know Y is 0 or 1
• Hypothesis can give values large than 1 or less than 0
•So, logistic regression generates a value where is always either 0 or 1
• Logistic regression is a classification algorithm - don't be confused
Hypothesis representation
•What function is used to represent our hypothesis in classification
•We want our classifier to output values between 0 and 1
• When using linear regression we did hθ(x) = (θT x)
• For classification hypothesis representation we do hθ(x) = g((θT x))
• Where we define g(z)
• z is a real number
• This is the sigmoid function, or the logistic function
• If we combine these equations we can write out the hypothesis as
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•How does the sigmoid function look like
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•Interpreting hypothesis output
When our hypothesis (hθ(x)) outputs a number, we treat that value as the estimated
probability that y=1 on input x
• Example
• If X is a feature vector with x0 = 1 (as always) and x1 = tumourSize
• hθ(x) = 0.7
• Tells a patient they have a 70% chance of a tumor being malignant
hθ(x) = P(y=1|x ; θ)
• What does this mean?
• Probability that y=1, given x, parameterized by θ
•Since this is a binary classification task we know y = 0 or 1
• So the following must be true
• P(y=1|x ; θ) + P(y=0|x ; θ) = 1
• P(y=0|x ; θ) = 1 - P(y=1|x ; θ)
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Decision boundary
•This gives a better sense of what the hypothesis function is computing
• One way of using the sigmoid function is;
• When the probability of y being 1 is greater than 0.5 then we can predict y = 1
• Else we predict y = 0
• When is it exactly that hθ(x) is greater than 0.5?
• Look at sigmoid function
• g(z) is greater than or equal to 0.5 when z is greater than or equal to 0
•So what we've shown is that the hypothesis predicts y = 1 when θT x >= 0
• The corollary of that when θT x <= 0 then the hypothesis predicts y = 0
• Let's use this to better understand how the hypothesis makes its predictions
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Decision boundary
•This gives a better sense of what the hypothesis function is computing
• One way of using the sigmoid function is;
• When the probability of y being 1 is greater than 0.5 then we can predict y = 1
• Else we predict y = 0
• When is it exactly that hθ(x) is greater than 0.5?
• Look at sigmoid function
• g(z) is greater than or equal to 0.5 when z is greater than or equal to 0
•So what we've shown is that the hypothesis predicts y = 1 when θT x >= 0
• The corollary of that when θT x <= 0 then the hypothesis predicts y = 0
• Let's use this to better understand how the hypothesis makes its predictions
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Consider,
hθ(x) = g(θ0 + θ1x1 + θ2x2)
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hθ(x) = g(θ0 + θ1x1+ θ3x12 + θ4x22)
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Cost function for logistic regression
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•If we use this function for logistic regression this is a non-convex function for parameter
optimization Could work !!!
•What do we mean by non convex?
• We have some function - J(θ) - for determining the parameters
• Our hypothesis function has a non-linearity (sigmoid function of hθ(x) )
• This is a complicated non-linear function
• If you take hθ(x) and plug it into the Cost() function, and them plug the Cost() function
into J(θ) and plot J(θ) we find many local optimum -> non convex function
• Why is this a problem
• Lots of local minima mean gradient descent may not find the global optimum -
may get stuck in a global minimum
• We would like a convex function so if you run gradient descent you converge to a global
minimum
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A convex logistic regression cost function
•To get around this we need a different, convex Cost() function which means we can apply gradient
descent
The above two functions can be compressed into a single function i.e.
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Gradient Descent
Now the question arises, how do we reduce the cost value. Well, this can be done by
using Gradient Descent. The main goal of Gradient descent is to minimize the cost value. i.e.
min J(θ).
Now to minimize our cost function we need to run the gradient descent function on each parameter
i.e.
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Gradient descent has an analogy in which we have to imagine ourselves at the top of a
mountain valley and left stranded and blindfolded, our objective is to reach the bottom of the hill.
Feeling the slope of the terrain around you is what everyone would do. Well, this action is
analogous to calculating the gradient descent, and taking a step is analogous to one iteration of
the update to the parameters.
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Multiclass classification problems
•Getting logistic regression for multiclass classification using one vs. all
•Multiclass - more than yes or no (1 or 0)
• Classification with multiple classes for assignment
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•Given a dataset with three classes, how do we get a learning algorithm to work?
• Use one vs. all classification make binary classification work for multiclass classification
•One vs. all classification
• Split the training set into three separate binary classification problems
• i.e. create a new fake training set
• Triangle (1) vs crosses and squares (0) hθ1(x)
• P(y=1 | x1; θ)
• Crosses (1) vs triangle and square (0) hθ2(x)
• P(y=1 | x2; θ)
• Square (1) vs crosses and square (0) hθ3(x)
• P(y=1 | x3; θ)
•Train a logistic regression classifier hθ(i)(x) for each class i to predict the
probability that y = i
•On a new input, x to make a prediction, pick the class i that maximizes
the probability that hθ(i)(x) = 1
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K-Nearest Neighbors
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This algorithm classifies cases based on their similarity to other cases.
In K-Nearest Neighbors, data points that are near each other are said to be
neighbors.
Similar cases with the same class labels are near each other.
Thus, the distance between two cases is a measure of their dissimilarity.
There are different ways to calculate the similarity or conversely,
the distance or dissimilarity of two data points.
For example, this can be done using Euclidean distance.
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the K-Nearest Neighbors algorithm works as follows.
- calculate the distance from the new case hold out from each of the cases in the dataset.
- search for the K-observations in the training data that are nearest to the measurements of the
unknown data point.
- predict the response of the unknown data point using the most popular response value from
the K-Nearest Neighbors.
There are two parts in this algorithm that might be a bit confusing.
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How to select the correct K
As mentioned, K and K-Nearest Neighbors is the
number of nearest neighbors to examine.
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In fact, since its nearest neighbor is blue we can say that we capture the noise in the data or we chose one of the points
that was an anomaly in the data.
A low value of K causes a highly complex model as well, which might result in overfitting of the model.
It means the prediction process is not generalized enough to be used for out-of-sample cases.
Out-of-sample data is data that is outside of the data set used to train the model.
In other words, it cannot be trusted to be used for prediction of unknown samples. It's important to remember that
overfitting is bad, as we want a general model that works for any data, not just the data used for training.
Now, on the opposite side of the spectrum, if we choose a very high value of K such as K equals 20,
then the model becomes overly generalized.
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So, how can we find the best value for K?
The general solution is to reserve a part of your data for testing the accuracy of the model.
Once you've done so, choose K equals one and then use the training part for modeling and calculate the accuracy of
prediction using all samples in your test set.
Repeat this process increasing the K and see which K is best for your model.
For example, in our case,
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Advantages of KNN
1. No Training Period: KNN is called Lazy Learner (Instance based learning). It does not learn
anything in the training period. It does not derive any discriminative function from the training
data. In other words, there is no training period for it. It stores the training dataset and learns
from it only at the time of making real time predictions. This makes the KNN algorithm much
faster than other algorithms that require training e.g. SVM, Linear Regression etc.
2. Since the KNN algorithm requires no training before making predictions, new data can be
added seamlessly which will not impact the accuracy of the algorithm.
3. KNN is very easy to implement. There are only two parameters required to implement KNN i.e.
the value of K and the distance function (e.g. Euclidean or Manhattan etc.)
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Disadvantages of KNN
1. Does not work well with large dataset: In large datasets, the cost of calculating the
distance between the new point and each existing points is huge which degrades the
performance of the algorithm.
2. Does not work well with high dimensions: The KNN algorithm doesn't work well
with high dimensional data because with large number of dimensions, it becomes
difficult for the algorithm to calculate the distance in each dimension.
[Link] to noisy data, missing values and outliers: KNN is sensitive to noise in
the dataset. We need to manually impute missing values and remove outliers.
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SUPPORT VECTOR MACHINE(SVM)
A Support Vector Machine is a supervised algorithm that can classify cases by finding a
separator.
SVM works by first mapping data to a high dimensional feature space so that data points can be
categorized, even when the data are not linearly separable.
Then, a separator is estimated for the data. The data should be transformed in such a way that a
separator could be drawn as a hyperplane.
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Therefore, the SVM algorithm outputs an optimal hyperplane that categorizes new examples.
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DATA TRANFORMATION
For the sake of simplicity, imagine that our dataset is one-dimensional data.
This means we have only one feature x.
As you can see, it is not linearly separable.
Well, we can transfer it into a two-dimensional space. For example, you can increase the dimension of data by
mapping x into a new space using a function with outputs x and x squared.
ADVANTAGES
- Accurate in high dimension place
- Memory efficient
DISADVANTAGES
- Small datasets
- Prone to overfitting
APPLICATIONS
- Image Recognition
- Spam detection
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Naive Bayes Classifiers
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Principle of Naive Bayes Classifier:
• A Naive Bayes classifier is a probabilistic machine learning model that’s used for classification task. The crux of
the classifier is based on the Bayes theorem.
• It is not a single algorithm but a family of algorithms where all of them share a common principle, i.e. every pair
of features being classified is independent of each other.
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Example:
Let us take an example to get some better intuition. Consider the problem of playing
golf. The dataset is represented as below.
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• We classify whether the day is suitable for playing golf, given the features of the day. The
columns represent these features and the rows represent individual entries. If we take the
first row of the dataset, we can observe that is not suitable for playing golf if the outlook is
rainy, temperature is hot, humidity is high and it is not windy. We make two assumptions
here, one as stated above we consider that these predictors are independent. That is, if the
temperature is hot, it does not necessarily mean that the humidity is high. Another
assumption made here is that all the predictors have an equal effect on the outcome. That
is, the day being windy does not have more importance in deciding to play golf or not.
• According to this example, Bayes theorem can be rewritten as:
• The variable y is the class variable(play golf), which represents if it is suitable to play golf or
not given the conditions. Variable X represent the parameters/features.
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• X is given as,
• Here x_1,x_2….x_n represent the features, i.e they can be mapped to outlook,
temperature, humidity and windy. By substituting for X and expanding using the chain rule
we get,
• Now, you can obtain the values for each by looking at the dataset and substitute them into
the equation. For all entries in the dataset, the denominator does not change, it remain
static. Therefore, the denominator can be removed and a proportionality can be
introduced.
• In our case, the class variable(y) has only two outcomes, yes or no. There could be cases
where the classification could be multivariate. Therefore, we need to find the class y with
maximum probability.
• Using the above function, we can obtain the class, given the predictors.
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• We need to find P(xi | yj) for each xi in X and yj in y. All these calculations have been demonstrated in the
tables below:
• So, in the figure above, we have calculated P(xi | yj) for each xi in X and yj in y manually in the tables 1-4.
For example, probability of playing golf given that the temperature is cool, i.e P(temp. = cool | play golf =
Yes) = 3/9.
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• Also, we need to find class probabilities (P(y)) which has been calculated in the table 5. For example,
P(play golf = Yes) = 9/14.
• So now, we are done with our pre-computations and the classifier is ready!
• Let us test it on a new set of features (let us call it today):
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Types of Naive Bayes Classifier:
• Multinomial Naive Bayes: This is mostly used for document classification problem, i.e
whether a document belongs to the category of sports, politics, technology etc. The
features/predictors used by the classifier are the frequency of the words present.
• Bernoulli Naive Bayes: This is similar to the multinomial naive bayes but the predictors are
boolean variables. The parameters that we use to predict the class variable take up only
values yes or no, for example if a word occurs in the text or not.
• Gaussian Naive Bayes: When the predictors take up a continuous value and are not
discrete, we assume that these values are sampled from a gaussian distribution.
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•
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Decision Tree
Classification Algorithm
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• Decision tree algorithm falls under the category of supervised learning. They can be
used to solve both regression and classification problems..
• Decision tree builds classification or regression models in the form of a tree structure.
It breaks down a dataset into smaller and smaller subsets while at the same time an
associated decision tree is incrementally developed. The final result is a tree
with decision nodes and leaf nodes. A decision node (e.g., Outlook) has two or more
branches (e.g., Sunny, Overcast and Rainy). Leaf node (e.g., Play) represents a
classification or decision. The topmost decision node in a tree which corresponds to
the best predictor called root node. Decision trees can handle both categorical and
numerical data.
• We can represent any boolean function on discrete attributes using the decision tree.
• Types of decision trees
• Categorical Variable Decision Tree: Decision Tree which has categorical target variable
then it called as categorical variable decision tree.
• Continuous Variable Decision Tree: Decision Tree which has continuous target variable
then it is called as Continuous Variable Decision Tree.
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• Root Node: It represents entire population or sample and this further gets divided into two or more
homogeneous sets.
• Splitting: It is a process of dividing a node into two or more sub-nodes.
• Decision Node: When a sub-node splits into further sub-nodes, then it is called decision node.
• Leaf/ Terminal Node: Nodes with no children (no further split) is called Leaf or Terminal node.
• Pruning: When we reduce the size of decision
trees by removing nodes (opposite of Splitting),
the process is called pruning.
• Branch / Sub-Tree: A sub section of decision
tree is called branch or sub-tree.
• Parent and Child Node: A node, which is divided
into sub-nodes is called parent node of sub-nodes
where as sub-nodes are the child of parent node.
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Algorithm
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Entropy
• Entropy is a measure of the randomness in the information being processed. The higher
the entropy, the harder it is to draw any conclusions from that information. Decision tree
algorithm uses entropy to calculate the homogeneity of a sample. If the sample is
completely homogeneous the entropy is zero and if the sample is an equally divided it has
entropy of one.
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Example:
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• To build a decision tree, we need to calculate two types of entropy using frequency tables
as follows:
• a) Entropy using the frequency table of one attribute:
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• b) Entropy using the frequency table of two attributes:
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Information gain
The information gain is based on the decrease in entropy after a dataset is split on an attribute.
Constructing a decision tree is all about finding attribute that returns the highest information gain (i.e.,
the most homogeneous branches).
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• Step 2: The dataset is then split on the different attributes. The entropy for each branch is
calculated. Then it is added proportionally, to get total entropy for the split. The resulting
entropy is subtracted from the entropy before the split. The result is the Information Gain,
or decrease in entropy.
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• Step 3: Choose attribute with the largest information gain as the decision node, divide the
dataset by its branches and repeat the same process on every branch.
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• Step 4a: A branch with entropy of 0 is a leaf node
• Step 4b: A branch with entropy more than 0 needs further splitting
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• Step 5: The ID3 algorithm is run recursively on the non-leaf branches, until all data is
classified.
• Decision Tree to Decision Rules
• A decision tree can easily be transformed to a set of rules by mapping from the root node
to the leaf nodes one by one.
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• Limitations to Decision Trees
• Decision trees tend to have high variance when they utilize different training and test sets
of the same data, since they tend to overfit on training data. This leads to poor
performance on unseen data. Unfortunately, this limits the usage of decision trees in
predictive modeling.
• To overcome these problems we use ensemble methods, we can create models that utilize
underlying(weak) decision trees as a foundation for producing powerful results and this is
done in Random Forest Algorithm
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Random forest
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• Definition:
• Random forest algorithm is a supervised classification algorithm Based on Decision Trees,
also known as random decision forests, are a popular ensemble method that can be used
to build predictive models for both classification and regression problems.
• Ensemble we mean(In Random Forest Context), Collective Decisions of Different Decision
Trees. In RFT(Random Forest Tree), we make a prediction about the class, not simply based
on One Decision Trees, but by an (almost) Unanimous Prediction, made by 'K' Decision
Trees.
• Construction:
• 'K' Individual Decision Trees are made from given Dataset, by randomly dividing the
Dataset and the Feature Subspace by process called as Bootstrap Aggregation(Bagging),
which is process of random selection with replacement. Generally 2/3rd of the Dataset
(row-wise 2/3rd) is selected by bagging, and On that Selected Dataset we perform what we
call is Attribute Bagging.
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• Now Attribute Bagging is done to select 'm' features from given M features,(this Process is
also called Random Subspace Creation.) Generally value of 'm' is square-root of M. Now we
select say, 10 such values of m, and then Build 10 Decision Trees based on them, and test
the 1/3rd remaining Dataset on these(10 Decision Trees).We would then Select the Best
Decision Tree out of this. And Repeat the whole Process 'K' times again to build such 'K'
decision trees.
• Classification:
• Prediction in Random Forest (a collection of 'K' Decision Trees) is truly ensemble ie, For
Each Decision Tree, Predict the class of Instance and then return the class which was
predicted the most often.
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Using Random Forest Classifier
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Parameters
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Final Thoughts
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Clustering
Unsupervised learning
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Clustering
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Clustering Algorithms
• K-means Algorithm
• The simplest among unsupervised learning algorithms. This works on the principle
of k-means clustering. This actually means that the clustered groups (clusters) for
a given set of data are represented by a variable ‘k’. For each cluster, a centroid
(arithmetic mean of all the data points that belong to that cluster) is defined.
• The centroid is a data point present at the centre of each cluster (considering
Euclidean distance). The trick is to define the centroids far away from each other
so that the variation is less. After this, each data point in the cluster is assigned to
the nearest centroid such that the sum of the squared distance between the data
points and the cluster’s centroid is at the minimum.
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• Algorithm
• [Link] the data into k groups where k is predefined.
• 2. k points at random as cluster centers.
• [Link] objects to their closest cluster center according to the Euclidean distance function.
• [Link] the centroid or mean of all objects in each cluster.
• [Link] steps 2, 3 and 4 until the same points are assigned to each cluster in consecutive
rounds.
• The Euclidean distance between two points in either the plane or 3-dimensional space
measures the length of a segment connecting the two points.
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• The step by step process:
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• K-means clustering algorithm has found to be very useful in grouping new data. Some
practical applications which use k-means clustering are sensor measurements, activity
monitoring in a manufacturing process, audio detection and image segmentation.
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• Disadvantage Of K-MEANS:
• K-Means forms spherical clusters only. This algorithm fails when data is not spherical ( i.e.
same variance in all directions).
• K-Means algorithm is sensitive towards outlier. Outliers can skew the clusters in K-Means in
very large extent.
• K-Means algorithm requires one to specify the number of clusters and for which there is no
global method to choose best value.
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• Hierarchical Clustering Algorithms
• Last but not the least are the hierarchical clustering algorithms. These algorithms have
clusters sorted in an order based on the hierarchy in data similarity
observations. Hierarchical clustering is categorised into two types, divisive(top-down)
clustering and agglomerative (bottom-up) clustering.
• Agglomerative Hierarchical clustering Technique: In this technique, initially each data
point is considered as an individual cluster. At each iteration, the similar clusters
merge with other clusters until one cluster or K clusters are formed.
• Divisive Hierarchical clustering Technique:Divisive Hierarchical clustering is exactly
the opposite of the Agglomerative Hierarchical clustering. In Divisive Hierarchical
clustering, we consider all the data points as a single cluster and in each iteration, we
separate the data points from the cluster which are not similar. Each data point which
is separated is considered as an individual cluster.
• Most of the hierarchical algorithms such as single linkage, complete linkage, median
linkage, Ward’s method, among others, follow the agglomerative approach.
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• Calculating the similarity between two clusters is important to merge or divide the clusters.
There are certain approaches which are used to calculate the similarity between two
clusters:
• MIN: Also known as single linkage algorithm can be defined as the similarity of two clusters
C1 and C2 is equal to the minimum of the similarity between points Pi and Pj such that Pi
belongs to C1 and Pj belongs to C2.
• This approach can separate non-elliptical shapes as long as the gap between two clusters is
not small.
• MIN approach cannot separate clusters properly if there is noise between clusters.
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• MAX: Also known as the complete linkage algorithm, this is exactly opposite to
the MIN approach. The similarity of two clusters C1 and C2 is equal to the maximum of the
similarity between points Pi and Pj such that Pi belongs to C1 and Pj belongs to C2.
• MAX approach does well in separating clusters if there is noise between clusters but Max
approach tends to break large clusters.
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• Group Average: Take all the pairs of points and compute their similarities and calculate the
average of the similarities.
• The group Average approach does well in separating clusters if there is noise between
clusters but it is less popular technique in the real world.
• Limitations of Hierarchical clustering Technique:
• There is no mathematical objective for Hierarchical clustering.
• All the approaches to calculate the similarity between clusters has its own disadvantages.
• High space and time complexity for Hierarchical clustering. Hence this clustering algorithm
cannot be used when we have huge data.
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Density-based spatial clustering of applications with noise (DBSCAN) is a well-known data
clustering algorithm that is commonly used in data mining and machine learning.
• Unlike to K-means, DBSCAN does not require the user to specify the number of clusters to
be generated
• DBSCAN can find any shape of clusters. The cluster doesn’t have to be circular.
• DBSCAN can identify outliers
The basic idea behind density-based clustering approach is derived from a human intuitive
clustering method. by looking at the figure below, one can easily identify four clusters along
with several points of noise, because of the differences in the density of points
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• DBSCAN algorithm has two parameters:
• ɛ: The radius of our neighborhoods around a data point p.
• minPts: The minimum number of data points we want in a neighborhood to define a cluster.
• Using these two parameters, DBSCAN categories the data points into three categories:
• Core Points: A data point p is a core point if Nbhd(p,ɛ) [ɛ-neighborhood of p] contains at least minPts ;
|Nbhd(p,ɛ)| >= minPts.
• Border Points: A data point *q is a border point if Nbhd(q, ɛ) contains less than minPts data points,
but q is reachable from some core point p.
• Outlier: A data point o is an outlier if it is neither a core point nor a border point. Essentially, this is the
“other” class.
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• The steps to the DBSCAN algorithm are:
• Pick a point at random that has not been assigned to a cluster or been designated as
an outlier. Compute its neighborhood to determine if it’s a core point. If yes, start a cluster
around this point. If no, label the point as an outlier.
• Once we find a core point and thus a cluster, expand the cluster by adding all directly-
reachable points to the cluster. Perform “neighborhood jumps” to find all density-
reachable points and add them to the cluster. If an an outlier is added, change that point’s
status from outlier to border point.
• Repeat these two steps until all points are either assigned to a cluster or designated as
an outlier.
.
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• Below is the DBSCAN clustering algorithm in pseudocode:
• DBSCAN(dataset, eps, MinPts){
• # cluster index
• C=1
• for each unvisited point p in dataset {
• mark p as visited
• # find neighbors
• Neighbors N = find the neighboring points of p
• if |N|>=MinPts:
• N = N U N'
• if p' is not a member of any cluster:
• add p' to cluster C
• }
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CROSS VALIDATION:
Cross-validation is a technique in which we train our model using the subset of the data-
set and then evaluate using the complementary subset of the data-set.
The three steps involved in cross-validation are as follows :
1. Split data set into training and test set
2. Using the training set train the model.
3. Test the model using the test set
USE: To get good out of sample accuracy
Even though we use cross validation technique we get variation in accuracy when we
train our model for that we use K-fold cross validation technique
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In K-fold cross validation, we split the data-set into k number of
subsets(known as folds) then we perform training on the all the
subsets but leave one(k-1) subset for the evaluation of the trained
model. In this method, we iterate k times with a different subset
reserved for testing purpose each time.
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Code in python for k-cross validation:
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How to choose the optimal values for the hyperparameters ?
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GridSearchCV:
In GridSearchCV approach, machine learning model is evaluated for a range of
hyperparameter values. This approach is called GridSearchCV, it searches for best
set of hyperparameters from a grid of hyperparameters values.
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