Machine Learning: Low-dimensional Representations - PCA and LLE Dimensionality Reduction, Study Guides, Projects, Research of Computer Science

The concept of low-dimensional representations in machine learning, specifically focusing on linear dimensionality reduction through principal component analysis (pca) and non-linear dimensionality reduction through locally linear embedding (lle). The importance of reducing dimensions, the difference between linear and non-linear techniques, and the algorithms used for each method.

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Pre 2010

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Machine Learning (CS 5350/CS 6350) 27 Feb 2007
Low-dimensional Representations
Often we want to find a representation of data from RDin some lower-dimenaional space, RF, for FD.
For F {2,3}, this is useful for visualization. For other F, it’s useful if we believe that the data is noisy, or
not ideal for our learning algorithm (eg., kNN).
There are two varieties of dimensionality reduction techniques: linear and non-linear. We will talk about
one example of each.
Linear Dimensionality Reduction: PCA
Have data matrix in XRN×D. Want to linearly project Xinto some YRN×F. We don’t want to lose
much “information.”
Two ways of deriving PCA:
1. Project Xonto basis vectors of highest variance
2. Imagine data was generated by an F-dimensional Gaussian and then noisified into Ddimensions
(1) is standard, hence the name “principle component analysis” (a component is a basis vector).
First, center Xso it has mean 0.
Now, what do we want? We want Ysuch that Y Y >is diagonal (so the basis is orthogonal) and so that
Y=ZX . From this, we get:
Y Y >= (ZX )(ZX )>
=ZX X>Z>
=Z(XX >)Z>
Now, linear algebra (i.e., magic) tells us that if Ais a symmetric matrix, then A=EDE>, where Eis a
matrix of eigenvectors of Aand Dis a diagonal matrix of eigenvalues.
Letting A=XX >, we select Zto be the matrix of eigenvectors of XX >and Dbe the eigenvalues, so:
Z(XX >)Z>=Z(Z>DZ)Z>
= (ZZ >)D(ZZ >)
= (ZZ 1)D(ZZ 1)
=D
using the fact that the inverse of an orthogonal matrix is its transpose.
All you really need to know is that you first center your data, find the eigenvectors corresponding to the top
Feigenvalues, and then use these as the new basis for the data.
You can additionally show that PCA minimizes the reconstruction mean-squared error, within the constraint
of being an orthogonal linear projection.
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Machine Learning (CS 5350/CS 6350) 27 Feb 2007

Low-dimensional Representations

Often we want to find a representation of data from R D in some lower-dimenaional space, R F , for F  D.

For F ∈ { 2 , 3 }, this is useful for visualization. For other F , it’s useful if we believe that the data is noisy, or

not ideal for our learning algorithm (eg., kNN).

There are two varieties of dimensionality reduction techniques: linear and non-linear. We will talk about

one example of each.

Linear Dimensionality Reduction: PCA

Have data matrix in X ∈ R N ×D

. Want to linearly project X into some Y ∈ R N ×F . We don’t want to lose

much “information.”

Two ways of deriving PCA:

  1. Project X onto basis vectors of highest variance
  2. Imagine data was generated by an F -dimensional Gaussian and then noisified into D dimensions

(1) is standard, hence the name “principle component analysis” (a component is a basis vector).

First, center X so it has mean 0.

Now, what do we want? We want Y such that Y Y

is diagonal (so the basis is orthogonal) and so that

Y = ZX. From this, we get:

Y Y

= (ZX)(ZX)

= ZXX

Z

= Z(XX

)Z

Now, linear algebra (i.e., magic) tells us that if A is a symmetric matrix, then A = EDE

, where E is a

matrix of eigenvectors of A and D is a diagonal matrix of eigenvalues.

Letting A = XX

, we select Z to be the matrix of eigenvectors of XX

and D be the eigenvalues, so:

Z(XX

)Z

= Z(Z

DZ)Z

= (ZZ

)D(ZZ

)

= (ZZ

− 1 )D(ZZ

− 1 )

= D

using the fact that the inverse of an orthogonal matrix is its transpose.

All you really need to know is that you first center your data, find the eigenvectors corresponding to the top

F eigenvalues, and then use these as the new basis for the data.

You can additionally show that PCA minimizes the reconstruction mean-squared error, within the constraint

of being an orthogonal linear projection.

Low-dimensional Representations 2

Nonlinear Dimensionality Reduction: LLE

Locally linear embedding is a “manifold learning” algorithm. A manifold is like a F dimensional space

warped to fit into a D > F dimensional space. Think about a partially folded piece of paper (swiss roll).

We want to “unfold” the manifold so that it lies in its true dimensionality, F. Of course, the problem is that

(a) we only have data from the manifold and (b) the data is noisy.

LLE attempts to unfold the manifold by assuming local linearity.

The algorithm works by considering each data point independently, and only in the context of its k nearest

neighbors. Then, we want to be able to reconstruct the original data point based only on its neighbors, using

a linear function. We then use these linear functions to project the data into low dimensional space.

Algorithm:

  1. For each data point xn, calculate the set Sn of its k nearest neighbors (exclusing itself).
  2. For each n, compute a weight vector wn that minimizes:

xn −

m∈Sn

wnmxm

2

subject to

m wnm^ = 1 for all^ n.

  1. For each n, compute an embedded yn to minimize:

n

yn −

m∈Sn

wnmym

2

The optimal weights (from (2)) are invariant to rotations, rescalings and translations of a data point and its

neighbors.

The second step is a bunch of least squares problems, one for each data point. The third step can be solved

using eigen techniques. (Details in the paper.)