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Non-metals: Can be solids, liquids, or gases. Example: oxygen (gas), bromine (liquid), sulphur (solid).
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Non-metals: Not malleable. They break when hammered (brittle).
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Zinc: Coating iron to prevent rusting (galvanization).
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Nitrogen: Fertilizers.
Chlorine: Water purification.
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Principal Component Analysis in Machine Learning.pdf
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A Guide to Principal Component
Analysis in Machine Learning
9 minute read August 2, 2023
Summary: Principal Component Analysis (PCA) in Machine Learning is a crucial technique for
dimensionality reduction, transforming complex datasets into simpler forms while retaining essential
information. This guide covers PCA’s processes, types, and applications and provides an example,
highlighting its importance in data analysis and model performance.
Introduction
In the exponentially growing world of Data Science and Machine Learning, dimensionality reduction
plays an important role. One of the most popular techniques for handling large and complex datasets
is Principal Component Analysis (PCA).
Whether you’re an experienced professional or a beginner in Data Science, Principal Component
Analysis in Machine Learning is essential. It has various applications, including data compression,
feature extraction, visualisation, etc. The following blog will guide you in understanding PCA in
Machine Learning with components and types.
What is Principal Component Analysis in
Machine Learning?
PCA is a widespread technique in Machine Learning and statistics used for dimensionality reduction
and data compression. It allows you to transform high-dimensional data into a lower-dimensional
space while retaining the original data’s most critical information or patterns.
The primary objective of PCA is to identify the principal components (also known as eigenvectors) that
capture the maximum variance in the data. These principal components are orthogonal to each other,
meaning they are uncorrelated and sorted in descending order of the variance they explain. The first
principal component describes the most variance; the second one explains the second most variance,
and so on.
Process of Principal Component Analysis
PCA captures the maximum variance in the data by transforming the original variables into a new set of
uncorrelated variables called principal components. The process involves several key steps, each
crucial for achieving an effective data transformation.
Data Preprocessing
The first step in PCA is data preprocessing, which involves standardising or normalising the data. This
step ensures that all features have the same scale, as PCA is sensitive to the scale of the features. For
instance, if the dataset contains features with different units (e.g., weight in kilograms and height in
centimetres), the feature with the larger scale could dominate the principal components.
Standardisation involves subtracting and dividing the mean by the standard deviation for each feature,
resulting in a dataset with a mean of zero and a standard deviation of one. This process ensures that
each feature contributes equally to the analysis.
Covariance Matrix Calculation
Once you standardize the data, you calculate the covariance matrix. The covariance matrix captures
the relationships between pairs of variables in the dataset. Precisely, the covariance between two
variables measures how much they change together.
A positive covariance indicates that the variables increase or decrease together, while a negative
covariance indicates an inverse relationship. The diagonal elements of the covariance matrix represent
the variance of each variable. This matrix serves as the foundation for identifying the principal
components.
Eigenvalue Decomposition
With the covariance matrix in hand, the next step is to perform eigenvalue decomposition. This
mathematical process decomposes the covariance matrix into its eigenvectors and eigenvalues. The
eigenvectors, also known as principal components, represent the directions of maximum variance in
the data.
The corresponding eigenvalues indicate the amount of variance explained by each principal
component. The eigenvectors define a new coordinate system, while the eigenvalues indicate how
much of the original dataset’s variability each new axis captures.
Selecting Principal Components
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2. After calculating the eigenvalues and eigenvectors, the next step is to select the principal components
to retain. You then sort the eigenvectors in descending order of their corresponding eigenvalues. This
sorting allows us to prioritise the principal elements that explain the most variance in the data.
The choice of how many components to retain (denoted as KKK) depends on the desired level of
explained variance. For example, one might retain enough components to explain 95% or 99% of the
total variance. This decision balances dimensionality reduction with the preservation of meaningful
information.
Projection onto Lower-Dimensional Space
The final step in PCA is projecting the original data onto the lower-dimensional space defined by the
selected principal components. Transform the data points using the top K eigenvectors, resulting in a
new dataset with reduced dimensionality, where each data point represents a combination of the
principal components.
This transformed dataset can be used for various purposes, such as visualisation, data compression,
and noise reduction. Limiting the number of input features also helps reduce multicollinearity and
improve the performance of Machine Learning models.
Remember that PCA is a linear transformation technique, and it might not be appropriate for some
nonlinear data distributions. In such cases, nonlinear dimensionality reduction techniques like t-SNE (t-
Distributed Stochastic Neighbor Embedding) or autoencoders may be more suitable.
Principal Component Analysis in Machine
Learning Example
Let’s walk through a simple example of Principal Component Analysis (PCA) using Python and the
popular Machine Learning library, Scikit-learn. In this example, we’ll use the well-known Iris dataset,
which contains measurements of iris flowers along with their species. We’ll perform PCA to reduce the
data to two dimensions and visualise the results.
Import the Libraries
Load the Iris Dataset and preprocess the data
Perform PCA and select the number of principal components
Visualise the reduced data
The resulting scatter plot will show the data points projected onto the two principal components. Each
colour corresponds to a different species of iris flowers (Setosa, Versicolor, Virginica). PCA has
transformed the high-dimensional data into a 2D space while retaining the most essential information
(variance) in the original data.
Remember that the principal component analysis example above uses a small dataset for illustrative
purposes. In practice, PCA is most valuable when dealing with high-dimensional datasets where
visualising and understanding the data becomes challenging without dimensionality reduction.
You can adjust the number of principal components (here, 2) based on the specific use case and the
desired variance to retain.
Application of Principal Component Analysis
in Machine Learning
PCA is a versatile machine-learning technique vital to simplifying and optimising data analysis. By
transforming a high-dimensional dataset into a smaller set of uncorrelated variables, known as
principal components, PCA effectively reduces the dimensionality of data while retaining the most
significant variance.
This makes it an essential tool for feature extraction, where the primary principal component analysis
application is identifying key features contributing to the dataset’s variability.
In practical Machine Learning applications, PCA is widely used for data visualisation, especially when
dealing with complex datasets. By reducing the number of dimensions, PCA allows for more
straightforward interpretation and visualisation, helping to reveal underlying patterns and
relationships.
This is particularly beneficial in exploratory data analysis, where understanding the structure and
distribution of data is crucial.
Another critical principal component analysis application is in preprocessing steps, such as noise
reduction and data compression. PCA filters out noise and irrelevant information by focusing on the
most critical components, enhancing the efficiency and accuracy of Machine Learning models.
This is particularly useful in applications like image and signal processing, where data can be highly
complex and noisy.
Moreover, PCA improves the performance of Machine Learning algorithms like clustering and
classification. PCA decreases computational complexity by reducing dimensionality, leading to faster
and more efficient model training.
In summary, PCA’s application in Machine Learning is invaluable for feature extraction, data
visualisation, noise reduction, and overall performance enhancement, making it a cornerstone
technique in the field.
Types of Principal Component Analysis
PCA helps transform high-dimensional data into a lower-dimensional space while preserving the
essential information. There are various types or variants of PCA, each with its specific use cases and
advantages. In this explanation, we’ll cover four main types of PCA:
Standard PCA
Standard PCA is the primary form of PCA widely used for dimensionality reduction. It involves finding
the principal components by performing eigenvalue decomposition on the covariance matrix of the
standardised data.
The principal components are orthogonal to each other and sorted in descending order of variance
explained. Standard PCA is effective when the data is linear, and the variance is well-distributed across
the dimensions. However, it may not be suitable for highly nonlinear datasets.
Incremental PCA
Incremental PCA is an efficient variant of PCA that is particularly useful for handling large datasets that
do not fit into memory. The whole dataset is required to compute the covariance matrix in standard
PCA, making it computationally expensive for large datasets.
Incremental PCA, on the other hand, processes data in batches or chunks, allowing you to perform
PCA incrementally. This way, it’s possible to reduce memory requirements and speed up the
computation for massive datasets.
Kernel PCA
Kernel PCA is an extension of PCA that can handle nonlinear data distributions. It uses the kernel trick
to implicitly transform the original data into a higher-dimensional space, where linear PCA can be
applied effectively.
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The kernel function computes the dot product between data points in the higher-dimensional space
without explicitly mapping them. This allows Kernel PCA to capture nonlinear relationships among data
points, making it suitable for a broader range of datasets.
Sparse PCA
Sparse PCA is a variation of PCA that introduces sparsity in the principal components. In standard PCA,
all elements contribute to each data point in the transformed space. However, in sparse PCA, only a
small subset of components is selected to represent each data point, leading to a sparse
representation.
This can be useful for feature selection or when the data is thought to have only a few dominant
features. Sparse PCA can lead to more interpretable and compact representations of the data.
Each type of PCA has strengths and weaknesses, and the choice of variant depends on the dataset’s
specific characteristics and the problem at hand.
In summary, PCA is a versatile tool that allows us to reduce the dimensionality of data while preserving
essential information. Standard PCA is effective for linear data distributions. Still, if the data is nonlinear
or too large to fit in memory, we can turn to Incremental PCA or Kernel PCA. Additionally, Sparse PCA
can provide more interpretable and compact representations by introducing sparsity in the principal
components.
Before applying PCA or its variants, it’s essential to preprocess the data correctly, handle missing
values, and consider the scale of the features.
Additionally, the number of principal components to retain should be carefully chosen based on the
amount of variance explained or the specific application requirements. PCA remains a fundamental
Machine Learning and data analysis technique, offering valuable insights and simplification for
complex datasets.
Read Blog: Understanding Data Science and Data Analysis Life Cycle.
Difference Between Factor Analysis &
Principal Component Analysis
Factor Analysis (FA) and Principal Component Analysis (PCA) are both techniques used for
dimensionality reduction and exploring underlying patterns in data, but they have different underlying
assumptions and objectives. Let’s explore the main differences between Factor Analysis and Principal
Component Analysis:
Factor Analysis (FA) Principal Component Analysis (PCA)
Factor Analysis is a statistical model that assumes
that the observed variables are influenced by a
smaller number of latent (unobservable) variables
called factors. These latent factors are the
underlying constructs that explain the
correlations among the observed variables. FA
assumes that there is an error component in the
observed variables, which is not explained by the
factors.
PCA is a mathematical technique that
focuses on finding the orthogonal axes
(principal components) that capture the
maximum variance in the data. It does not
make any assumptions about the underlying
structure of the data. The principal
components are derived solely based on the
variance-covariance matrix of the original
data.
The primary goal of Factor Analysis is to identify
the latent factors that explain the observed
correlations among the variables. FA ensures that
we uncover the underlying structure or common
factors that generate the observed data.
Accordingly, it focuses on providing a meaningful
and interpretable representation of data by
explaining the shared variance through different
factors.
The primary objective of PCA is to maximise
the variance explained by each principal
component. Its goal is to find a low-
dimensional data representation while
retaining as much volatility as possible. PCA
does not focus on interpreting the various
elements or their relationships to the source
variables.
In factor analysis, the latent factors are allowed to
be connected with one another. This method can
identify shared information among the observed
variables and accept the possibility that the
components may be related. Factor Analysis
provides a more adaptable and nuanced
depiction of the connected patterns in the data by
allowing for correlations between components.
The main components in PCA are
orthogonal, demonstrating that they are
uncorrelated. Although the orthogonality
attribute makes component interpretation
easier, it may not always accurately reflect
the underlying structure of the data.
However, when researchers want to understand
the latent variables that affect the observed data,
they use factor analysis (FA). The social sciences
and psychology frequently use this method to
pinpoint the underlying theories that underlie
observed attitudes or behaviours.
PCA is extensively used for noise reduction,
data preprocessing, and visualisation.
Without explicitly modelling the underlying
structure, it helps discover the data’s most
important dimensions (or “principal
components)”
Frequently Asked Question
What is Principal Component Analysis in Machine
Learning?
Principal Component Analysis (PCA) in Machine Learning is a technique used for dimensionality
reduction. It transforms high-dimensional data into a lower-dimensional space, retaining the most
critical information by identifying the principal components that capture the maximum variance in the
data.
What are the types of Principal Component
Analysis?
The main types of Principal Component Analysis include Standard PCA, Incremental PCA, Kernel PCA,
and Sparse PCA. Each type caters to different data structures and computational needs, such as
handling large datasets, nonlinear relationships, or sparse data representations.
How is PCA applied in real-world scenarios?
PCA is widely used for data visualisation, feature extraction, and noise reduction. It helps simplify
datasets, improve the performance of Machine Learning models, and reveal underlying patterns. For
instance, PCA is used to preprocess data in image and signal processing applications.
Conclusion
The above blog provides you with a clear and detailed understanding of PCA in Machine Learning.
Principal Component Analysis in Machine Learning helps you reduce the dimensionality of complex
datasets. The step-by-step guide has covered all the essential requirements to help you learn about
PCA effectively.