The document discusses dimensionality reduction techniques. It begins by explaining the curse of dimensionality, where adding more features can hurt performance due to the exponential increase in the number of examples needed. It then introduces dimensionality reduction as a solution, where the data can be represented using fewer dimensions/features through feature selection, linear/non-linear transformations, or combinations. Principal component analysis (PCA) and singular value decomposition (SVD) are described as common linear dimensionality reduction methods. The document also discusses nonlinear techniques like kernel PCA and multi-dimensional scaling, as well as uses of dimensionality reduction like in image and natural language processing applications.
In statistics, machine learning, and information theory, dimensionality reduction or dimension reduction is the process of reducing the number of random variables under consideration by obtaining a set of principal variables.
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. LeCun , L. Bottou , Y. Bengio and P. Haffner
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3. Curse of Dimensionality
• Theoretically, increasing features
should improve performance
• In practice, more features leads
to worse performance
• Number of training examples
required increases exponentially
with dimensionality
1
dimension:
10 positions
2 dimensions:
100 positions
3 dimensions:
1000 positions
4. Curse of Dimensionality
• Theoretically, increasing features
should improve performance
• In practice, too many features
leads to worse performance
1
dimension:
10 positions
2 dimensions:
100 positions
3 dimensions:
1000 positions
5. Curse of Dimensionality
• Theoretically, increasing features
should improve performance
• In practice, too many features
leads to worse performance
• Number of training examples
required increases exponentially
with dimensionality
1
dimension:
10 positions
2 dimensions:
100 positions
3 dimensions:
1000 positions
6. Solution: Dimensionality Reduction
• Data can be represented
by fewer dimensions
(features)
• Reduce dimensionality by
selecting subset (feature
elimination)
• Combine with linear and
non-linear transformations
Height
Cigarettes/Day
7. Solution: Dimensionality Reduction
• Data can be represented
by fewer dimensions
(features)
• Reduce dimensionality by
selecting subset (feature
elimination)
• Combine with linear and
non-linear transformations
Height
Cigarettes/Day
8. Solution: Dimensionality Reduction
• Data can be represented
by fewer dimensions
(features)
• Reduce dimensionality by
selecting subset (feature
elimination)
• Combine with linear and
non-linear transformations
Height
Cigarettes/Day
9. Solution: Dimensionality Reduction
• Two features: height
and cigarettes per day
• Both features increase
together (correlated)
• Can we reduce number
of features to one?
Height
Cigarettes/Day
10. Solution: Dimensionality Reduction
• Two features: height
and cigarettes per day
• Both features increase
together (correlated)
• Can we reduce number
of features to one?
Height
Cigarettes/Day
11. Solution: Dimensionality Reduction
• Two features: height
and cigarettes per day
• Both features increase
together (correlated)
• Can we reduce number
of features to one?
Height
Cigarettes/Day
12. Solution: Dimensionality Reduction
• Two features: height
and cigarettes per day
• Both features increase
together (correlated)
• Can we reduce number
of features to one?
Height
Cigarettes/Day
13. Solution: Dimensionality Reduction
• Create single feature
that is combination of
height and cigarettes
• This is Principal
Component Analysis
(PCA)
Height
Cigarettes/Day
14. Solution: Dimensionality Reduction
• Create single feature
that is combination of
height and cigarettes
• This is Principal
Component Analysis
(PCA)
15. Dimensionality Reduction
Given an 𝑁-dimensional data set (𝑥), find a 𝑁 × 𝐾 matrix (𝑈):
𝑦 = 𝑈 𝑇
𝑥, where 𝑦 has 𝐾 dimensions and 𝐾 < 𝑁
𝑥 =
𝑥1
𝑥2
⋯
𝑥 𝑛
𝑈 𝑇
𝑦 =
𝑦1
𝑦2
⋯
𝑦 𝑘
(𝐾 < 𝑁)
20. • SVD is a matrix
factorization method
normally used for PCA
• Does not require a
square data set
• SVD is used by Scikit-
learn for PCA
Single Value Decomposition (SVD)
𝐴 𝑚×𝑛 𝑈 𝑚×𝑚 𝑆 𝑚×𝑛 𝑉𝑛×𝑛
𝑇
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
=
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ 0 0
0 ⋆ 0
0 0 ⋆
0 0 0
0 0 0
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
21. • How can SVD be used
for dimensionality
reduction?
• Principal components
are calculated from 𝑈𝑆
• "Truncated SVD" used
for dimensionality
reduction (𝑛 → 𝑘)
Truncated Single Value Decomposition
𝐴 𝑚×𝑛 𝑈 𝑚×𝑘 𝑆 𝑘×𝑘 𝑉𝑘×𝑛
𝑇
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
≈
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
⋆ ⋆ ⋆ ⋆ ⋆
𝟗 0 0
0 𝟕 0
0 0 𝟏
0 0 0
0 0 0
⋆ ⋆ ⋆
⋆ ⋆ ⋆
⋆ ⋆ ⋆
22. • PCA and SVD seek to
find the vectors that
capture the most
variance
• Variance is sensitive to
axis scale
• Must scale data!
Importance of Feature Scaling
X2
X1
100
200
300
400
500
10 20 30 40 50
Unscaled
23. • PCA and SVD seek to
find the vectors that
capture the most
variance
• Variance is sensitive to
axis scale
• Must scale data!
X2
X1
10
20
30
40
50
10 20 30 40 50
Unscaled
Scaled
Importance of Feature Scaling
24. Import the class containing the dimensionality reduction method
from sklearn.decomposition import PCA
Create an instance of the class
PCAinst = PCA(n_components=3, whiten=True)
Fit the instance on the data and then transform the data
X_trans = PCAinst.fit_transform(X_train)
Does not work with sparse matrices
PCA: The Syntax
25. Import the class containing the dimensionality reduction method
from sklearn.decomposition import PCA
Create an instance of the class
PCAinst = PCA(n_components=3, whiten=True)
PCA: The Syntax
26. Import the class containing the dimensionality reduction method
from sklearn.decomposition import PCA
Create an instance of the class
PCAinst = PCA(n_components=3, whiten=True) final number of
dimensions
PCA: The Syntax
27. Import the class containing the dimensionality reduction method
from sklearn.decomposition import PCA
Create an instance of the class
PCAinst = PCA(n_components=3, whiten=True) whiten = scale
and center data
PCA: The Syntax
28. Import the class containing the dimensionality reduction method
from sklearn.decomposition import PCA
Create an instance of the class
PCAinst = PCA(n_components=3, whiten=True)
Fit the instance on the data and then transform the data
X_trans = PCAinst.fit_transform(X_train)
Does not work with sparse matrices
PCA: The Syntax
29. Import the class containing the dimensionality reduction method
from sklearn.decomposition import PCA
Create an instance of the class
PCAinst = PCA(n_components=3, whiten=True)
Fit the instance on the data and then transform the data
X_trans = PCAinst.fit_transform(X_train)
Does not work with sparse matrices
PCA: The Syntax
30. Truncated SVD: The Syntax
Import the class containing the dimensionality reduction method
from sklearn.decomposition import TruncatedSVD
Create an instance of the class
SVD = TruncatedSVD(n_components=3)
Fit the instance on the data and then transform the data
X_trans = SVD.fit_transform(X_sparse)
Works with sparse matrices—used with text data for Latent Semantic Analysis (LSA)
31. Import the class containing the dimensionality reduction method
from sklearn.decomposition import TruncatedSVD
Create an instance of the class
SVD = TruncatedSVD(n_components=3)
Fit the instance on the data and then transform the data
X_trans = SVD.fit_transform(X_sparse)
Works with sparse matrices—used with text data for Latent Semantic Analysis (LSA)
does not
center data
Truncated SVD: The Syntax
32. • Transformations calculated
with PCA/SVD are linear
• Data can have non-linear
features
• This can cause dimensionality
reduction to fail
Moving Beyond Linearity
Original Space Projection by PCA
33. • Transformations calculated
with PCA/SVD are linear
• Data can have non-linear
features
• This can cause dimensionality
reduction to fail
Moving Beyond Linearity
Original Space Projection by PCA
34. • Transformations calculated
with PCA/SVD are linear
• Data can have non-linear
features
• This can cause dimensionality
reduction to fail
Moving Beyond Linearity
Original Space Projection by PCA
dimensionality
reduction fails
35. • Solution: kernels can be
used to perform non-linear
PCA
• Like the kernel trick
introduced for SVMs
Kernel PCA
Original Space Projection by KPCA
36. Kernel PCA
Linear PCA
𝑅2 𝑅2
Φ
𝐹
Kernel PCA• Solution: kernels can be
used to perform non-linear
PCA
• Like the kernel trick
introduced for SVMs
37. Kernel PCA: The Syntax
Import the class containing the dimensionality reduction method
from sklearn.decomposition import KernelPCA
Create an instance of the class
kPCA = KernelPCA(n_components=3, kernel='rbf', gamma=1.0)
Fit the instance on the data and then transform the data
X_trans = kPCA.fit_transform(X_train)
38. • Non-linear transformation
• Doesn't focus on maintaining
overall variance
• Instead, maintains geometric
distances between points
Multi-Dimensional Scaling (MDS)
X
Y
Z
39. MDS: The Syntax
Import the class containing the dimensionality reduction method
from sklearn.manifold import MDS
Create an instance of the class
mdsMod = MDS(n_components=2)
Fit the instance on the data and then transform the data
X_trans = mdsMod.fit_transform(X_sparse)
Many other manifold dimensionality methods exist: Isomap, TSNE.
40. Uses of Dimensionality Reduction
Image Source: https://commons.wikimedia.org/wiki/File:Monarch_In_May.jpg
• Frequently used for high
dimensionality data
• Natural language processing
(NLP)—many word
combinations
• Image-based data sets—
pixels are features
41. Uses of Dimensionality Reduction
• Divide image into 12 x 12
pixel sections
• Flatten section to create row
of data with 144 features
• Perform PCA on all data
points
Image Source: https://commons.wikimedia.org/wiki/File:Monarch_In_May.jpg
42. Uses of Dimensionality Reduction
• Divide image into 12 x 12
pixel sections
• Flatten section to create row
of data with 144 features
• Perform PCA on all data
points
Image Source: https://commons.wikimedia.org/wiki/File:Monarch_In_May.jpg
12 x 12
1 2 3 … 142 143 144
43. Uses of Dimensionality Reduction
• Divide image into 12 x 12
pixel sections
• Flatten section to create row
of data with 144 features
• Perform PCA on all data
points
Image Source: https://commons.wikimedia.org/wiki/File:Monarch_In_May.jpg
1 2 3 … 142 143 144
1 2 3 … 142 143 144
1 2 3 … 142 143 144
1 2 3 … 142 143 144
1 2 3 … 142 143 144
1 2 3 … 142 143 144