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Multivariate Analysis Lecture Notes

This document outlines topics in multi-variate analysis including principal components analysis. It discusses how principal components are constructed to maximize variability while remaining uncorrelated. The first principal component accounts for the most variability in the data, defined by the highest eigenvalue of the covariance matrix. Subsequent components each account for the next highest amount of remaining variability and are orthogonal to previous components. The document provides methods for determining how many principal components to use based on cumulative variability explained.
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0% found this document useful (0 votes)
125 views6 pages

Multivariate Analysis Lecture Notes

This document outlines topics in multi-variate analysis including principal components analysis. It discusses how principal components are constructed to maximize variability while remaining uncorrelated. The first principal component accounts for the most variability in the data, defined by the highest eigenvalue of the covariance matrix. Subsequent components each account for the next highest amount of remaining variability and are orthogonal to previous components. The document provides methods for determining how many principal components to use based on cumulative variability explained.
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

Multi-Variate Analysis

Prof. Ayanendra Basu


2022

Contents
1 Introduction 2
1.1 Topics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2
1.2 Books to follow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2

2 Principal Components 3
2.1 Variability . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2.2 Construction of Y’s . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2.2.1 Lemma . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2.2.2 Proof . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2.3 Components . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
2.4 Note . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
2.5 A special case . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.6 How to choose a ’k’ ? . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5

Contents by Lecture

Monday Tuesday Wednesday Thursday Friday


Lec 1 (1/8) Lec 2 (4/8)

1
Lecture 1, Aug, 1

1 Introduction
1.1 Topics
• Traditional Topics

Multivariate Analysis

Multivariate Normal

Wishart Distribution Hotelling’s T 2

MANOVA

Union Intersection Test

• Non-traditional Topics

Applied Multivariate Techniques

Dimension Reduction Classification

Principal Components Cluster Analysis

Factor analysis Discriminant Analysis

Canonical Correlation Analysis

1.2 Books to follow


1. T.W. Anderson : Multivariate Analysis
2. C.R. Rao : Linear Statistical Inference and its Applications
3. R. Johnson, D.W. Wichern : Applied Multivariate Statistical Analysis
4. Goldstein, Dillon
5. G.A.F. Seber : Multivariate Observations
6. Mardia, Kent, Bibby

2
7. S.F. Arnold : Linear Statistical Inference and Multivariate Analysis

2 Principal Components
Let, we have X , Σp×p (real, symmetric, p.d.).
∼ p×1
We would want to base the future analysis on k(<< p) variables.

2.1 Variability
Total variability of a dataset is defined as-
p
X
Total variability := σii , where σii is i-th diagonal of Σ
i=1
p
X
= σi2
i=1

We would like to reduce the dimension while retaining as much variability as possible.

X := (X1 , X2 , ..., Xp )T

We would like to replace this by Y1 , Y2 , ..., Yk , k << p, without losing out much on variability.

2.2 Construction of Y’s


Now we construct the Yi s sequentially.
Yi := l1T X , l1 is such that max. variability is attained.

Now, V ar(Yi ) = l1T Σl1
So we are trying to maximize

l1T Σl1
max Tl
l1 ̸=0 l1 1

2.2.1 Lemma
This is maximized when l1 is the eigenvector with the highest eigenvalue.

2.2.2 Proof
Let, λ1 ≥ λ2 ≥ ... ≥ λp = 0 are the eigenvalues of Σ and the corresponding eigenvectors would
be e1 , e2 , ..., ep .

3
l1T Σl1 l1T P ΛP T l1
=
l1T l1 l1T l1
(P T l1 )T Λ(P T l1 )
= [∵ P is orthogonal]
(P T l1 )T (P T l1 )
Y T ΛY
= T
Y Y
λi y 2
P
= P 2i
yi
≤λ1 (≥ λp )

l1T Σl1 eT1 Σe1 λ1 eT1 e1


∴ = = = λ1
l1T l1 eT1 e1 eT1 e1
So, the maximum is achieved.

2.3 Components
Y1 = eT1 X is the 1st Principal Component

V ar(Y1 ) = λ1
Principal components are defined to be uncorrelated.
Y2 = l2T X

So we would need to find:-

l2T Σl2
max Tl
, subject to Cov(Y1 , Y2 ) = 0
l1 ̸=0 l2 2

Now, Cov(Y1 , Y2 ) = Cov(eT1 X , l2T X ) = l2T Σe1


∼ ∼
So, for this to be 0, l2 ∈ vector space of {e2 , e3 , ..., ep }
So, the solution would be Y2 = eT2 X

V ar(Y2 ) = λ2
Similarly,

Yj = e T
j X, Var(Yj ) = λj , 1 ≤ j ≤ p

2.4 Note

T otal
p
X
V ar(Xi ) = σii σii
i=1
Xp
V ar(Yi ) = λi λi
i=1

If the variables are uncorrelated, i.e. Σ is diagonal then Y1 , Y2 , ..., Yp will just be a permutation
of X1 , X2 , ..., Xp in decreasing order of Variance.

4
2.5 A special case
Let, we have a bi-variate data (X1 , X2 ). We will tr to get its Principal components. We know
∼ ∼
the components will be uncorrelated. So once we get the 1st principal component, the other one
would be the perpendicular of that.
Let the data be like:-
Y1
X2

Y2

X1

Then Y1 will be the 1st principal component as most variation will be along this axes.
So basically the components will be some rotation of the rectangular axes.
This idea can be extended for higher dimension for multivariate normal.

2.6 How to choose a ’k’ ?


λi
Proportion of variability explained by i-th Principal Component := Pp
j=1 λj
Pk
λi
Proportion of variability explained by k Principal Components := Ppi=1
j=1 λj

• One of way of choosing is pre-determining a threshold for variability explained.


Pk
λ
We get k choosing the smallest k for which Ppi=1 i ≥ a where a is a pre-specified threshold.
j=1 λj

• Other way would be by using Scree Plot


We plot Ppλi against i.
j=1 λj

5
We stop and choose when you observe a major slope change.

Lecture 2, Aug, 4

Common questions

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The relationship between eigenvectors and eigenvalues is fundamental in constructing principal components because the eigenvectors provide the directions of the new feature space, while the eigenvalues determine the amount of variance captured along those directions. Specifically, principal components are constructed such that the first principal component maximizes variance, which is achieved by aligning with the eigenvector of the largest eigenvalue. Subsequent components are orthogonal to previous components and align with eigenvectors corresponding to the next largest eigenvalues. This ensures maximum variance is captured with each new component while maintaining uncorrelatedness .

The covariance matrix is crucial in principal component analysis (PCA) as it encapsulates the variances and covariances between the variables in the dataset. Its structure directly affects the PCA results since eigenvectors and eigenvalues derived from the covariance matrix determine the directions and magnitudes of the principal components. If the covariance matrix is diagonal, the variables are uncorrelated, and the principal components will simply be a permutation of the original variables sorted by decreasing variance. However, if the covariance matrix is not diagonal, PCA effectively reduces dimensions by emphasizing directions of greatest variability among correlated variables .

If the covariance matrix is diagonal, it implies that the variables are uncorrelated, as there are no off-diagonal covariance terms indicating relationships between variables. In terms of principal component analysis (PCA), this simplifies the process because the principal components will simply be a permutation of the original variables arranged in decreasing order of variance. Consequently, there is no need for a rotation or transformation of axes, as the existing coordinate axes already align with the directions of maximum variance .

Traditional topics in multivariate analysis include Multivariate Normal distribution, Wishart distribution, Hotelling’s T-square test, MANOVA (Multivariate Analysis of Variance), and Union Intersection Tests. Non-traditional topics mentioned include Applied Multivariate Techniques such as Dimension Reduction, Classification techniques, Principal Components, Factor Analysis, Canonical Correlation Analysis, Cluster Analysis, and Discriminant Analysis. This reflects a broadening of the field to include more applied methods and techniques for handling complex data structures .

In using a scree plot to choose the number 'k' of principal components, the critical criterion is identifying the point where a major change in slope occurs, often referred to as the 'elbow' of the plot. This point indicates the transition from components that contribute significantly to explaining variance to those that add little informational value. The slope change reflects diminishing returns in variance explanation; thus, retaining components up to this point effectively balances complexity with completeness of data representation. Choosing 'k' based on this 'elbow' helps minimize unnecessary components that provide minimal additional insight, thereby optimizing the analytical model .

Eigenvalues play a crucial role in determining the order of principal components as they quantify the amount of variance accounted for by each component. Specifically, the principal component corresponding to the highest eigenvalue is chosen first because it captures the greatest variance in the data, thus providing the most significant reduction in dimensionality while retaining maximal information. Subsequent components, ordered by descending eigenvalues, capture progressively less variance. This ordering is significant because it allows for a clear and systematic method for reducing dimensionality by prioritizing the components that explain the most variance, guiding the choice of how many components to retain for effective analysis .

Principal components are determined to be uncorrelated by the construction process which ensures orthogonality. Each principal component is constructed to maximize variance while being orthogonal to all previously constructed components, preserving the property of uncorrelatedness. This property is important because it simplifies the structure of multivariate data, allowing each component to be analyzed independently. As a result, it facilitates easier interpretation and reduces redundancy by ensuring that each component captures unique variance from the dataset without overlap .

Using eigenvectors corresponding to the highest eigenvalues is significant because these vectors represent directions in the data that capture the most variance. In forming the first principal components, the goal is to retain as much original variability as possible in a reduced dimensional space. Hence, the eigenvector of the largest eigenvalue captures the direction of greatest variance, ensuring that the first principal component accounts for the maximum possible variability. Subsequent eigenvectors for the next largest eigenvalues capture as much of the remaining variance as possible, subject to being orthogonal to the previous ones .

Principal components in multivariate analysis are constructed by transforming the original variables into new uncorrelated variables (Y1, Y2, ..., Yk) while retaining as much of the original variance as possible. This is achieved by finding the linear transformation that maximizes the variance of each principal component. Specifically, each Y is created sequentially by maximizing the variance expression lT Σl / lT l, where Σ is the covariance matrix of the original data and l is the vector of coefficients for the linear combination. According to the source, maximizing variance is accomplished when the vector l is the eigenvector corresponding to the largest eigenvalue of Σ .

The number 'k' of principal components to retain is often determined by examining how much total variance each component accounts for. One approach is to set a predetermined threshold for the proportion of explained variance, choosing the smallest number 'k' such that the cumulative proportion exceeds this threshold. Another method involves plotting the eigenvalues on a scree plot and identifying the point at which the plot shows an 'elbow,' indicating a major slope change, as the optimal number of components to retain .

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