Maintainer: | Steven E. Pav <shabbychef@gmail.com> |
Version: | 0.3.0 |
Date: | 2024-10-30 |
License: | LGPL-3 |
Title: | Regularized Non-Negative Matrix Factorization |
BugReports: | https://github.com/shabbychef/rnnmf/issues |
Description: | A proof of concept implementation of regularized non-negative matrix factorization optimization. A non-negative matrix factorization factors non-negative matrix Y approximately as L R, for non-negative matrices L and R of reduced rank. This package supports such factorizations with weighted objective and regularization penalties. Allowable regularization penalties include L1 and L2 penalties on L and R, as well as non-orthogonality penalties. This package provides multiplicative update algorithms, which are a modification of the algorithm of Lee and Seung (2001) http://papers.nips.cc/paper/1861-algorithms-for-non-negative-matrix-factorization.pdf, as well as an additive update derived from that multiplicative update. See also Pav (2004) <doi:10.48550/arXiv.2410.22698>. |
Depends: | R (≥ 3.0.2) |
Imports: | Matrix |
Suggests: | testthat, dplyr, ggplot2, scales, viridis, knitr |
URL: | https://github.com/shabbychef/rnnmf |
VignetteBuilder: | knitr |
Collate: | 'aurnmf.r' 'gaurnmf.r' 'giqpm.r' 'murnmf.r' 'rnnmf-package.r' |
RoxygenNote: | 7.3.2 |
NeedsCompilation: | no |
Packaged: | 2024-10-31 03:07:08 UTC; spav |
Author: | Steven E. Pav |
Repository: | CRAN |
Date/Publication: | 2024-11-04 10:40:02 UTC |
regularized non-negative matrix factorization
Description
Regularized Non-negative Matrix Factorization.
Legal Mumbo Jumbo
rnnmf is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.
Note
This package provides proof of concept code which is unlikely to be fast or robust, and may not solve the optimization problem at hand. User assumes all risk.
This package is maintained as a hobby.
Author(s)
Steven E. Pav shabbychef@gmail.com
Maintainer: Steven E. Pav shabbychef@gmail.com (ORCID)
References
Lee, Daniel D. and Seung, H. Sebastian. "Algorithms for Non-negative Matrix Factorization." Advances in Neural Information Processing Systems 13 (2001): 556–562. http://papers.nips.cc/paper/1861-algorithms-for-non-negative-matrix-factorization.pdf
Pav, S. E. "An Iterative Algorithm for Regularized Non-negative Matrix Factorizations." Forthcoming. (2024)
Pav, Steven E. "System and method for unmixing spectroscopic observations with nonnegative matrix factorization." US Patent 8140272, 2012. https://patentscope.wipo.int/search/en/detail.jsf?docId=US42758160
See Also
Useful links:
nmf .
Description
Additive update Non-negative matrix factorization with regularization.
Usage
aurnmf(
Y,
L,
R,
W_0R = NULL,
W_0C = NULL,
lambda_1L = 0,
lambda_1R = 0,
lambda_2L = 0,
lambda_2R = 0,
gamma_2L = 0,
gamma_2R = 0,
tau = 0.1,
annealing_rate = 0.01,
check_optimal_step = TRUE,
zero_tolerance = 1e-12,
max_iterations = 1000L,
min_xstep = 1e-09,
on_iteration_end = NULL,
verbosity = 0
)
Arguments
Y |
an |
L |
an |
R |
an |
W_0R |
the row space weighting matrix.
This should be a positive definite non-negative symmetric |
W_0C |
the column space weighting matrix.
This should be a positive definite non-negative symmetric |
lambda_1L |
the scalar |
lambda_1R |
the scalar |
lambda_2L |
the scalar |
lambda_2R |
the scalar |
gamma_2L |
the scalar |
gamma_2R |
the scalar |
tau |
the starting shrinkage factor applied to the step length.
Should be a value in |
annealing_rate |
the rate at which we scale the shrinkage factor towards 1.
Should be a value in |
check_optimal_step |
if TRUE, we attempt to take the optimal step length in the given direction. If not, we merely take the longest feasible step in the step direction. |
zero_tolerance |
values of |
max_iterations |
the maximum number of iterations to perform. |
min_xstep |
the minimum L-infinity norm of the step taken. Once the step falls under this value, we terminate. |
on_iteration_end |
an optional function that is called at the end of
each iteration. The function is called as
|
verbosity |
controls whether we print information to the console. |
Details
Attempts to factor given non-negative matrix Y
as the product LR
of two non-negative matrices. The objective function is Frobenius norm
with \ell_1
and \ell_2
regularization terms.
We seek to minimize the objective
\frac{1}{2}tr((Y-LR)' W_{0R} (Y-LR) W_{0C}) + \lambda_{1L} |L| + \lambda_{1R} |R| + \frac{\lambda_{2L}}{2} tr(L'L) + \frac{\lambda_{2R}}{2} tr(R'R) + \frac{\gamma_{2L}}{2} tr((L'L) (11' - I)) + \frac{\gamma_{2R}}{2} tr((R'R) (11' - I)),
subject to L \ge 0
and R \ge 0
elementwise,
where |A|
is the sum of the elements of A
and
tr(A)
is the trace of A
.
The code starts from initial estimates and iteratively improves them, maintaining non-negativity. This implementation uses the Lee and Seung step direction, with a correction to avoid divide-by-zero. The iterative step is optionally re-scaled to take the steepest descent in the step direction.
Value
a list with the elements
- L
The final estimate of L.
- R
The final estimate of R.
- Lstep
The infinity norm of the final step in L.
- Rstep
The infinity norm of the final step in R.
- iterations
The number of iterations taken.
- converged
Whether convergence was detected.
Note
This package provides proof of concept code which is unlikely to be fast or robust, and may not solve the optimization problem at hand. User assumes all risk.
Author(s)
Steven E. Pav shabbychef@gmail.com
References
Merritt, Michael, and Zhang, Yin. "Interior-point Gradient Method for Large-Scale Totally Nonnegative Least Squares Problems." Journal of Optimization Theory and Applications 126, no 1 (2005): 191–202. https://scholarship.rice.edu/bitstream/handle/1911/102020/TR04-08.pdf
Pav, S. E. "An Iterative Algorithm for Regularized Non-negative Matrix Factorizations." Forthcoming. (2024)
Lee, Daniel D. and Seung, H. Sebastian. "Algorithms for Non-negative Matrix Factorization." Advances in Neural Information Processing Systems 13 (2001): 556–562. http://papers.nips.cc/paper/1861-algorithms-for-non-negative-matrix-factorization.pdf
See Also
Examples
nr <- 100
nc <- 20
dm <- 4
randmat <- function(nr,nc,...) { matrix(pmax(0,runif(nr*nc,...)),nrow=nr) }
set.seed(1234)
real_L <- randmat(nr,dm)
real_R <- randmat(dm,nc)
Y <- real_L %*% real_R
# without regularization
objective <- function(Y, L, R) { sum((Y - L %*% R)^2) }
objective(Y,real_L,real_R)
L_0 <- randmat(nr,dm)
R_0 <- randmat(dm,nc)
objective(Y,L_0,R_0)
out1 <- aurnmf(Y, L_0, R_0, max_iterations=5e3L,check_optimal_step=FALSE)
objective(Y,out1$L,out1$R)
# with L1 regularization on one side
out2 <- aurnmf(Y, L_0, R_0, lambda_1L=0.1, max_iterations=5e3L,check_optimal_step=FALSE)
# objective does not suffer because all mass is shifted to R
objective(Y,out2$L,out2$R)
list(L1=sum(out1$L),R1=sum(out1$R),L2=sum(out2$L),R2=sum(out2$R))
sum(out2$L)
# with L1 regularization on both sides
out3 <- aurnmf(Y, L_0, R_0, lambda_1L=0.1,lambda_1R=0.1,
max_iterations=5e3L,check_optimal_step=FALSE)
# with L1 regularization on both sides, raw objective suffers
objective(Y,out3$L,out3$R)
list(L1=sum(out1$L),R1=sum(out1$R),L3=sum(out3$L),R3=sum(out3$R))
# example showing how to use the on_iteration_end callback to save iterates.
max_iterations <- 5e3L
it_history <<- rep(NA_real_, max_iterations)
quadratic_objective <- function(Y, L, R) { sum((Y - L %*% R)^2) }
on_iteration_end <- function(iteration, Y, L, R, ...) {
it_history[iteration] <<- quadratic_objective(Y,L,R)
}
out1b <- aurnmf(Y, L_0, R_0, max_iterations=max_iterations, on_iteration_end=on_iteration_end)
# should work on sparse matrices too.
if (require(Matrix)) {
real_L <- randmat(nr,dm,min=-1)
real_R <- randmat(dm,nc,min=-1)
Y <- as(real_L %*% real_R, "sparseMatrix")
L_0 <- as(randmat(nr,dm,min=-0.5), "sparseMatrix")
R_0 <- as(randmat(dm,nc,min=-0.5), "sparseMatrix")
out1 <- aurnmf(Y, L_0, R_0, max_iterations=1e2L,check_optimal_step=TRUE)
}
gaurnmf .
Description
Additive update Non-negative matrix factorization with regularization, general form.
Usage
gaurnmf(
Y,
L,
R,
W_0R = NULL,
W_0C = NULL,
W_1L = 0,
W_1R = 0,
W_2RL = 0,
W_2CL = 0,
W_2RR = 0,
W_2CR = 0,
tau = 0.1,
annealing_rate = 0.01,
check_optimal_step = TRUE,
zero_tolerance = 1e-12,
max_iterations = 1000L,
min_xstep = 1e-09,
on_iteration_end = NULL,
verbosity = 0
)
Arguments
Y |
an |
L |
an |
R |
an |
W_0R |
the row space weighting matrix.
This should be a positive definite non-negative symmetric |
W_0C |
the column space weighting matrix.
This should be a positive definite non-negative symmetric |
W_1L |
the |
W_1R |
the |
W_2RL |
the |
W_2CL |
the |
W_2RR |
the |
W_2CR |
the |
tau |
the starting shrinkage factor applied to the step length.
Should be a value in |
annealing_rate |
the rate at which we scale the shrinkage factor towards 1.
Should be a value in |
check_optimal_step |
if TRUE, we attempt to take the optimal step length in the given direction. If not, we merely take the longest feasible step in the step direction. |
zero_tolerance |
values of |
max_iterations |
the maximum number of iterations to perform. |
min_xstep |
the minimum L-infinity norm of the step taken. Once the step falls under this value, we terminate. |
on_iteration_end |
an optional function that is called at the end of
each iteration. The function is called as
|
verbosity |
controls whether we print information to the console. |
Details
Attempts to factor given non-negative matrix Y
as the product LR
of two non-negative matrices. The objective function is Frobenius norm
with \ell_1
and \ell_2
regularization terms.
We seek to minimize the objective
\frac{1}{2}tr((Y-LR)' W_{0R} (Y-LR) W_{0C}) + tr(W_{1L}'L) + tr(W_{1R}'R) + \frac{1}{2} \sum_j tr(L'W_{2RLj}LW_{2CLj}) + tr(R'W_{2RRj}RW_{2CRj}),
subject to L \ge 0
and R \ge 0
elementwise,
where tr(A)
is the trace of A
.
The code starts from initial estimates and iteratively improves them, maintaining non-negativity. This implementation uses the Lee and Seung step direction, with a correction to avoid divide-by-zero. The iterative step is optionally re-scaled to take the steepest descent in the step direction.
Value
a list with the elements
- L
The final estimate of L.
- R
The final estimate of R.
- Lstep
The infinity norm of the final step in L
.
- Rstep
The infinity norm of the final step in R
.
- iterations
The number of iterations taken.
- converged
Whether convergence was detected.
Note
This package provides proof of concept code which is unlikely to be fast or robust, and may not solve the optimization problem at hand. User assumes all risk.
Author(s)
Steven E. Pav shabbychef@gmail.com
References
Merritt, Michael, and Zhang, Yin. "Interior-point Gradient Method for Large-Scale Totally Nonnegative Least Squares Problems." Journal of Optimization Theory and Applications 126, no 1 (2005): 191–202. https://scholarship.rice.edu/bitstream/handle/1911/102020/TR04-08.pdf
Pav, S. E. "An Iterative Algorithm for Regularized Non-negative Matrix Factorizations." Forthcoming. (2024)
Lee, Daniel D. and Seung, H. Sebastian. "Algorithms for Non-negative Matrix Factorization." Advances in Neural Information Processing Systems 13 (2001): 556–562. http://papers.nips.cc/paper/1861-algorithms-for-non-negative-matrix-factorization.pdf
See Also
Examples
nr <- 20
nc <- 5
dm <- 2
randmat <- function(nr,nc,...) { matrix(pmax(0,runif(nr*nc,...)),nrow=nr) }
set.seed(1234)
real_L <- randmat(nr,dm+2)
real_R <- randmat(ncol(real_L),nc)
Y <- real_L %*% real_R
gram_it <- function(G) { t(G) %*% G }
W_0R <- gram_it(randmat(nr+5,nr))
W_0C <- gram_it(randmat(nc+5,nc))
wt_objective <- function(Y, L, R, W_0R, W_0C) {
err <- Y - L %*% R
0.5 * sum((err %*% W_0C) * (t(W_0R) %*% err))
}
matrix_trace <- function(G) {
sum(diag(G))
}
wt_objective(Y,real_L,real_R,W_0R,W_0C)
L_0 <- randmat(nr,dm)
R_0 <- randmat(dm,nc)
wt_objective(Y,L_0,R_0,W_0R,W_0C)
out1 <- gaurnmf(Y, L_0, R_0, W_0R=W_0R, W_0C=W_0C,
max_iterations=1e4L,check_optimal_step=FALSE)
wt_objective(Y,out1$L,out1$R,W_0R,W_0C)
W_1L <- randmat(nr,dm)
out2 <- gaurnmf(Y, out1$L, out1$R, W_0R=W_0R, W_0C=W_0C, W_1L=W_1L,
max_iterations=1e4L,check_optimal_step=FALSE)
wt_objective(Y,out2$L,out2$R,W_0R,W_0C)
W_1R <- randmat(dm,nc)
out3 <- gaurnmf(Y, out2$L, out2$R, W_0R=W_0R, W_0C=W_0C, W_1R=W_1R,
max_iterations=1e4L,check_optimal_step=FALSE)
wt_objective(Y,out3$L,out3$R,W_0R,W_0C)
# example showing how to use the on_iteration_end callback to save iterates.
max_iterations <- 1e3L
it_history <<- rep(NA_real_, max_iterations)
on_iteration_end <- function(iteration, Y, L, R, ...) {
it_history[iteration] <<- wt_objective(Y,L,R,W_0R,W_0C)
}
out1b <- gaurnmf(Y, L_0, R_0, W_0R=W_0R, W_0C=W_0C,
max_iterations=max_iterations, on_iteration_end=on_iteration_end, check_optimal_step=FALSE)
# should work on sparse matrices too.
if (require(Matrix)) {
real_L <- randmat(nr,dm,min=-1)
real_R <- randmat(dm,nc,min=-1)
Y <- as(real_L %*% real_R, "sparseMatrix")
L_0 <- as(randmat(nr,dm,min=-0.5), "sparseMatrix")
R_0 <- as(randmat(dm,nc,min=-0.5), "sparseMatrix")
out1 <- gaurnmf(Y, L_0, R_0, max_iterations=1e2L,check_optimal_step=TRUE)
}
giqpm .
Description
Generalized Iterative Quadratic Programming Method for non-negative quadratic optimization.
Usage
giqpm(
Gmat,
dvec,
x0 = NULL,
tau = 0.5,
annealing_rate = 0.25,
check_optimal_step = TRUE,
mult_func = NULL,
grad_func = NULL,
step_func = NULL,
zero_tolerance = 1e-09,
max_iterations = 1000L,
min_xstep = 1e-09,
verbosity = 0
)
Arguments
Gmat |
a representation of the matrix |
dvec |
a representation of the vector |
x0 |
the initial iterate. If none given, we spawn one of the same
size as |
tau |
the starting shrinkage factor applied to the step length.
Should be a value in |
annealing_rate |
the rate at which we scale the shrinkage factor towards 1.
Should be a value in |
check_optimal_step |
if TRUE, we attempt to take the optimal step length in the given direction. If not, we merely take the longest feasible step in the step direction. |
mult_func |
a function which takes matrix and vector and performs matrix multiplication. The default does this on matrix and vector input, but the user can implement this for some implicit versions of the problem. |
grad_func |
a function which takes matrix |
step_func |
a function which takes the vector gradient, the product
|
zero_tolerance |
values of |
max_iterations |
the maximum number of iterations to perform. |
min_xstep |
the minimum L-infinity norm of the step taken. Once the step falls under this value, we terminate. |
verbosity |
controls whether we print information to the console. |
Details
Iteratively solves the problem
\min_x \frac{1}{2}x^{\top}G x + d^{\top}x
subject to the elementwise constraint x \ge 0
.
This implementation allows the user to specify methods to perform matrix by
vector multiplication, computation of the gradient (which should be
G x + d
), and computation of the step direction.
By default we compute the optimal step in the given step direction.
Value
a list with the elements
- x
The final iterate.
- iterations
The number of iterations taken.
- converged
Whether convergence was detected.
Note
This package provides proof of concept code which is unlikely to be fast or robust, and may not solve the optimization problem at hand. User assumes all risk.
Author(s)
Steven E. Pav shabbychef@gmail.com
References
Pav, S. E. "An Iterative Algorithm for Regularized Non-negative Matrix Factorizations." Forthcoming. (2024)
Merritt, Michael, and Zhang, Yin. "Interior-point Gradient Method for Large-Scale Totally Nonnegative Least Squares Problems." Journal of Optimization Theory and Applications 126, no 1 (2005): 191–202. https://scholarship.rice.edu/bitstream/handle/1911/102020/TR04-08.pdf
Examples
set.seed(1234)
ssiz <- 100
preG <- matrix(runif(ssiz*(ssiz+20)),nrow=ssiz)
G <- preG %*% t(preG)
d <- - runif(ssiz)
y1 <- giqpm(G, d)
objective <- function(G, d, x) { as.numeric(0.5 * t(x) %*% (G %*% x) + t(x) %*% d) }
# this does not converge to an actual solution!
steepest_step_func <- function(gradf, ...) { return(-gradf) }
y2 <- giqpm(G, d, step_func = steepest_step_func)
scaled_step_func <- function(gradf, Gx, Gmat, dvec, x0, ...) { return(-gradf * abs(x0)) }
y3 <- giqpm(G, d, step_func = scaled_step_func)
sqrt_step_func <- function(gradf, Gx, Gmat, dvec, x0, ...) { return(-gradf * abs(sqrt(x0))) }
y4 <- giqpm(G, d, step_func = sqrt_step_func)
complementarity_stepfunc <- function(gradf, Gx, Gmat, dvec, x0, ...) { return(-gradf * x0) }
y5 <- giqpm(G, d, step_func = complementarity_stepfunc)
objective(G, d, y1$x)
objective(G, d, y2$x)
objective(G, d, y3$x)
objective(G, d, y4$x)
objective(G, d, y5$x)
murnmf .
Description
Multiplicative update Non-negative matrix factorization with regularization.
Usage
murnmf(
Y,
L,
R,
W_0R = NULL,
W_0C = NULL,
lambda_1L = 0,
lambda_1R = 0,
lambda_2L = 0,
lambda_2R = 0,
gamma_2L = 0,
gamma_2R = 0,
epsilon = 1e-07,
max_iterations = 1000L,
min_xstep = 1e-09,
on_iteration_end = NULL,
verbosity = 0
)
Arguments
Y |
an |
L |
an |
R |
an |
W_0R |
the row space weighting matrix.
This should be a positive definite non-negative symmetric |
W_0C |
the column space weighting matrix.
This should be a positive definite non-negative symmetric |
lambda_1L |
the scalar |
lambda_1R |
the scalar |
lambda_2L |
the scalar |
lambda_2R |
the scalar |
gamma_2L |
the scalar |
gamma_2R |
the scalar |
epsilon |
the numerator clipping value. |
max_iterations |
the maximum number of iterations to perform. |
min_xstep |
the minimum L-infinity norm of the step taken. Once the step falls under this value, we terminate. |
on_iteration_end |
an optional function that is called at the end of
each iteration. The function is called as
|
verbosity |
controls whether we print information to the console. |
Details
This function uses multiplicative updates only, and may not optimize the nominal objective. It is also unlikely to achieve optimality. This code is for reference purposes and is not suited for usage other than research and experimentation.
Value
a list with the elements
- L
The final estimate of L.
- R
The final estimate of R.
- Lstep
The infinity norm of the final step in L.
- Rstep
The infinity norm of the final step in R.
- iterations
The number of iterations taken.
- converged
Whether convergence was detected.
Note
This package provides proof of concept code which is unlikely to be fast or robust, and may not solve the optimization problem at hand. User assumes all risk.
Author(s)
Steven E. Pav shabbychef@gmail.com
References
Merritt, Michael, and Zhang, Yin. "Interior-point Gradient Method for Large-Scale Totally Nonnegative Least Squares Problems." Journal of Optimization Theory and Applications 126, no 1 (2005): 191–202. https://scholarship.rice.edu/bitstream/handle/1911/102020/TR04-08.pdf
Pav, S. E. "An Iterative Algorithm for Regularized Non-negative Matrix Factorizations." Forthcoming. (2024)
Lee, Daniel D. and Seung, H. Sebastian. "Algorithms for Non-negative Matrix Factorization." Advances in Neural Information Processing Systems 13 (2001): 556–562. http://papers.nips.cc/paper/1861-algorithms-for-non-negative-matrix-factorization.pdf
See Also
Examples
nr <- 100
nc <- 20
dm <- 4
randmat <- function(nr,nc,...) { matrix(pmax(0,runif(nr*nc,...)),nrow=nr) }
set.seed(1234)
real_L <- randmat(nr,dm)
real_R <- randmat(dm,nc)
Y <- real_L %*% real_R
# without regularization
objective <- function(Y, L, R) { sum((Y - L %*% R)^2) }
objective(Y,real_L,real_R)
L_0 <- randmat(nr,dm)
R_0 <- randmat(dm,nc)
objective(Y,L_0,R_0)
out1 <- murnmf(Y, L_0, R_0, max_iterations=5e3L)
objective(Y,out1$L,out1$R)
# with L1 regularization on one side
out2 <- murnmf(Y, L_0, R_0, max_iterations=5e3L,lambda_1L=0.1)
# objective does not suffer because all mass is shifted to R
objective(Y,out2$L,out2$R)
list(L1=sum(out1$L),R1=sum(out1$R),L2=sum(out2$L),R2=sum(out2$R))
sum(out2$L)
# with L1 regularization on both sides
out3 <- murnmf(Y, L_0, R_0, max_iterations=5e3L,lambda_1L=0.1,lambda_1R=0.1)
# with L1 regularization on both sides, raw objective suffers
objective(Y,out3$L,out3$R)
list(L1=sum(out1$L),R1=sum(out1$R),L3=sum(out3$L),R3=sum(out3$R))
# example showing how to use the on_iteration_end callback to save iterates.
max_iterations <- 1e3L
it_history <<- rep(NA_real_, max_iterations)
quadratic_objective <- function(Y, L, R) { sum((Y - L %*% R)^2) }
on_iteration_end <- function(iteration, Y, L, R, ...) {
it_history[iteration] <<- quadratic_objective(Y,L,R)
}
out1b <- murnmf(Y, L_0, R_0, max_iterations=max_iterations, on_iteration_end=on_iteration_end)
# should work on sparse matrices too, but beware zeros in the initial estimates
if (require(Matrix)) {
real_L <- randmat(nr,dm,min=-1)
real_R <- randmat(dm,nc,min=-1)
Y <- as(real_L %*% real_R, "sparseMatrix")
L_0 <- randmat(nr,dm)
R_0 <- randmat(dm,nc)
out1 <- murnmf(Y, L_0, R_0, max_iterations=1e2L)
}
News for package 'rnnmf':
Description
News for package ‘rnnmf’
rnnmf Initial Version 0.3.0 (2024-10-30)
first CRAN release.
changed name from rnmf to rnnmf.