Notes on Nonnegative Matrix Factorization | CBS 598, Study notes of Algorithms and Programming

Material Type: Notes; Class: Topic: Survey of Bioscience Business Sectors; Subject: Computational Biosciences; University: Arizona State University - Tempe; Term: Fall 2007;

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CSE 494 CSE/CBS 598 (Fall 2007): Numerical Linear Algebra for Data
Exploration— Nonnegative Matrix Factorization
Instructor: Jieping Ye
1 Nonnegative Matrix Factorization
An overview of SVD
Let Abe an m×nmatrix, with mn. It can be factorized as
A=UÃΣ
0!VT,
where UIRm×mand VIRn×nare orthogonal, and Σ IRm×nis diagonal
Σ = diag (σ1, σ2,· · · , σn), σ1σ2 · · · σn0.
Weak interpretability: The entries in Uand Vmay be negative, even when Acontains
nonnegative entries only, such as term-document matrix.
Nonnegative Matrix Factorization
Let Abe an m×nmatrix, with nonnegative entries. NMF computes two matrices
WIRm×kand HIRk×n, which solve the following optimization problem:
min
W0,H0||AW H ||F.
Here, W0 indicates that all entries in Ware nonnegative.
(Lee and Seung, nature 1999) started a flurry of research into the Nonnegative Matrix Fac-
torization. There are hundreds of papers in the area since 1999.
NMF is shown to induce parts-based representation.
Many applications:
Image Processing and Computer Graphics
Text analysis
Bioinformatics
1.1 Alternating Least Squares (ALS) Algorithm
This minimization problem above is nonlinear considered as an optimization problem for W
and H at the same time. However, if one of the unknown matrices were known, W, say, then
the problem of computing H, would be a standard, non-negatively constrained, least squares
problem with a matrix right hand side. Therefore the most common way of solving it is to
use an alternating least squares (ALS) procedure:
Guess an initial value W(1).
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CSE 494 CSE/CBS 598 (Fall 2007): Numerical Linear Algebra for Data

Exploration— Nonnegative Matrix Factorization

Instructor: Jieping Ye

1 Nonnegative Matrix Factorization

  • An overview of SVD
    • Let A be an m × n matrix, with m ≥ n. It can be factorized as

A = U

( Σ 0

) V T^ ,

where U ∈ IRm×m^ and V ∈ IRn×n^ are orthogonal, and Σ ∈ IRm×n^ is diagonal

Σ = diag (σ 1 , σ 2 , · · · , σn) , σ 1 ≥ σ 2 ≥ · · · ≥ σn ≥ 0.

  • Weak interpretability: The entries in U and V may be negative, even when A contains nonnegative entries only, such as term-document matrix.
  • Nonnegative Matrix Factorization
    • Let A be an m × n matrix, with nonnegative entries. NMF computes two matrices W ∈ IRm×k^ and H ∈ IRk×n, which solve the following optimization problem:

min W ≥ 0 ,H≥ 0

||A − W H||F.

  • Here, W ≥ 0 indicates that all entries in W are nonnegative.
  • (Lee and Seung, nature 1999) started a flurry of research into the Nonnegative Matrix Fac- torization. There are hundreds of papers in the area since 1999.
  • NMF is shown to induce parts-based representation.
  • Many applications:
  • Image Processing and Computer Graphics
  • Text analysis
  • Bioinformatics

1.1 Alternating Least Squares (ALS) Algorithm

  • This minimization problem above is nonlinear considered as an optimization problem for W and H at the same time. However, if one of the unknown matrices were known, W, say, then the problem of computing H, would be a standard, non-negatively constrained, least squares problem with a matrix right hand side. Therefore the most common way of solving it is to use an alternating least squares (ALS) procedure: - Guess an initial value W (1).
  • for k = 1, 2 , · · · until convergence (a) Solve minH≥ 0 ||A − W (k)H||F , giving H(k). (b) Solve minW ≥ 0 ||A − W H(k)||F , giving W (k+1).
  • The solution is not unique: if (W, H) is the solution, then (W D, D−^1 H) is also the solution for any diagonal matrix D with positive diagonal entries.
  • How to solve minH≥ 0 ||A − W (k)H||F?
  • Let aj and hj are the j-th columns of A and H, respectively.
  • Writing out the columns one by one, we see that the above matrix least squares problem is equivalent to n independent vector least squares problems:

min hj ≥ 0

||aj − W (k)hj ||F , j = 1, 2 , · · · , n.

  • The vector least squares problem can be solved by an active-set algorithm. MATLAB function: lsqnonneg.
  • The resulting algorithm for vector least squares problem is time-consuming.
  • As a cheaper alternative, one can take the unconstrained least squares solution, and then set all negative elements in H equal to zero.

1.2 A Multiplicative Update Algorithm

  • Let J = ||A − W H||F.
  • The objective function J can be re-written as:

J = trace

( (A − W H)(A − W H)T^

)

= trace

( AAT^ − 2 AHT^ W T^ + W HHT^ W T^ )

)

= trace(AAT^ ) − 2trace(AHT^ W T^ ) + trace(W HHT^ W T^ ).

  • Let W = (wij ) and h = (hij ). All wij and hij are constrained to be nonnegative. This leads to a constrained optimization problem.
  • Let αij and βij be the Lagrange multiplier for constraints wij ≥ 0 and hij ≥ 0, respectively, and α = (αij ), β = (βij ), the Lagrange L is defined as follows:

L = J − trace(αW T^ ) − trace(βHT^ ).

  • The derivatives of L with respect to W and H are:

∂L ∂W

= −AHT^ + W HHT^ − α, ∂L ∂H

= −W T^ A + W T^ W H − β.