How to use NNLS for non-negative multiple linear regression? - java

I am trying to solve Non-negative multiple linear regression problem in Java.
And I found a solver class org.apache.spark.mllib.optimization.NNLS written in Scala.
However, I don't know how to use this.
What makes me confused is that the interface of the following method seems strange.
I thought that A is a MxN matrix and b is a M-vector, and the arguments ata and atb should be a NxN matrix and N-vector, respectively.
However, the actual type of ata is double[].
public static double[] solve(double[] ata, double[] atb, NNLS.Workspace ws)
I searched for an example code but I couldn't find.
Can anyone give me a sample code?
The library is written in Scala, but I want Java code if possible.

DISCLAIMER I've never used NNLS and got no idea about non-negative multiple linear regression.
You look at Spark 2.1.1's NNLS that does what you want, but is not the way to go since the latest Spark 2.2.1 marked as private[spark].
private[spark] object NNLS {
More importantly, as of Spark 2.0, org.apache.spark.mllib package (incl. org.apache.spark.mllib.optimization that NNLS belongs to) is in maintenance mode:
The MLlib RDD-based API is now in maintenance mode.
As of Spark 2.0, the RDD-based APIs in the spark.mllib package have entered maintenance mode. The primary Machine Learning API for Spark is now the DataFrame-based API in the spark.ml package.
In other words, you should stay away from the package and NNLS in particular.
What are the alternatives then?
You could look at the tests of NNLS, i.e. NNLSSuite where you could find some answers.
However, the actual type of ata is double[].
That's a matrix so elements are doubles again. As a matter of fact, ata is passed directly to BLAS's dgemv (here and here) that is described in the LAPACK docs:
DGEMV performs one of the matrix-vector operations
y := alpha*A*x + beta*y, or y := alpha*A**T*x + beta*y,
where alpha and beta are scalars, x and y are vectors and A is an
m by n matrix.
That should give you enough answers.
Another question would be what the recommended way in Spark MLlib for NNLS-like computations is?
It looks like Spark MLLib's ALS algorithm uses NNLS under the covers (which may not be that surprising for machine learning practitioners).
That part of the code is used when ALS is configured to train a model with nonnegative parameter turned on, i.e. true (which is disabled by default).
nonnegative Param for whether to apply nonnegativity constraints.
Default: false
whether to use nonnegative constraint for least squares
I would recommend reviewing that part of Spark MLlib to get deeper into the uses of NNLS for solving non-negative linear regression problem.

I wrote a test code.
Though I got some warnings like Failed to load implementation from: com.github.fommil.netlib.NativeSystemBLAS, it works well for simple cases, but beta often becomes 0 when m is very large (about 3000).
package test;
import org.apache.spark.mllib.optimization.NNLS;
public class NNLSTest {
public static void main(String[] args) {
int n = 6, m = 300;
ExampleInMatLabDoc();
AllPositiveBetaNoiseInY(n, m);
SomeNegativesInBeta(n, m);
NoCorrelation(n, m);
}
private static void test(double[][] X, double[] y, double[] b) {
int m = X.length; int n = X[0].length;
double[] Xty = new double[n];
for (int i = 0; i < n; i++) {
Xty[i] = 0.0;
for (int j = 0; j < m; j++) Xty[i] += X[j][i] * y[j];
}
double[] XtX = new double[n * n];
for (int i = 0; i < n; i++) {
for (int j = 0; j < n; j++) {
XtX[n * i + j] = 0.0;
for (int k = 0; k < m; k++) XtX[n * i + j] += X[k][i] * X[k][j];
}
}
double[] beta = NNLS.solve(XtX, Xty, NNLS.createWorkspace(n));
System.out.println("\ntrue beta\tbeta");
for (int i = 0; i < beta.length; i++) System.out.println(b[i] + "\t" + beta[i]);
}
private static void ExampleInMatLabDoc() {
// https://jp.mathworks.com/help/matlab/ref/lsqnonneg.html
double[] y = new double[] { 0.8587, 0.1781, 0.0747, 0.8405 };
double[][] x = new double[4][];
x[0] = new double[] { 0.0372, 0.2869 };
x[1] = new double[] { 0.6861, 0.7071 };
x[2] = new double[] { 0.6233, 0.6245 };
x[3] = new double[] { 0.6344, 0.6170 };
double[] b = new double[] { 0.0, 0.6929 };
test(x, y, b);
}
private static void AllPositiveBetaNoiseInY(int n, int m) {
double[] b = new double[n];
for (int i = 0; i < n; i++) b[i] = Math.random() * 100.0; // random value in [0:100]
double[] y = new double[m];
double[][] x = new double[m][];
for (int i = 0; i < m; i++) {
x[i] = new double[n];
x[i][0] = 1.0;
y[i] = b[0];
for (int j = 1; j < n; j++) {
x[i][j] = (2.0 * Math.random() - 1.0) * 100.0; // random value in [-100:100]
y[i] += x[i][j] * b[j];
}
y[i] *= 1.0 + (2.0 * Math.random() - 1.0) * 0.1; // add noise
}
test(x, y, b);
}
private static void SomeNegativesInBeta(int n, int m) {
double[] b = new double[n];
for (int i = 0; i < n; i++) b[i] = (2.0 * Math.random() - 1.0) * 100.0; // random value in [-100:100]
double[] y = new double[m];
double[][] x = new double[m][];
for (int i = 0; i < m; i++) {
x[i] = new double[n];
x[i][0] = 1.0;
y[i] = b[0];
for (int j = 1; j < n; j++) {
x[i][j] = (2.0 * Math.random() - 1.0) * 100.0; // random value in [-100:100]
y[i] += x[i][j] * b[j];
}
}
test(x, y, b);
}
private static void NoCorrelation(int n, int m) {
double[] y = new double[m];
double[][] x = new double[m][];
for (int i = 0; i < m; i++) {
x[i] = new double[n];
x[i][0] = 1.0;
for (int j = 1; j < n; j++)
x[i][j] = (2.0 * Math.random() - 1.0) * 100.0; // random value in [-100:100]
y[i] = (2.0 * Math.random() - 1.0) * 100.0;
}
double[] b = new double[n];
for (int i = 0; i < n; i++) b[i] = 0;
test(x, y, b);
}
}

Related

Converting fast MCLT algorithm in Matlab to java

I have java code which gives me FFT output from real inputs. I need to perform MCLT. Currently I have the FFT output with me in the following format. I have seen some fast MCLT alogrithm (https://www.microsoft.com/en-us/research/wp-content/uploads/2016/02/tr-2005-02.pdf), coded in Matlab, but can not understand it perfectly. Can someone help me in writing corresponding java code.
Java Code Starting point:
int dtLength = data.length/2;
double[] realPart = new double[dtLength];
double[] imagPart = new double[dtLength];
Matlab Code:
function X = fmclt(x)
% FMCLT - Compute MCLT of a vector via double-length FFT
%
% H. Malvar, September 2001 -- (c) 1998-2001 Microsoft Corp.
%
% Syntax: X = fmclt(x)
%
% Input: x : real-valued input vector of length 2*M
%
% Output: X : complex-valued MCLT coefficients, M subbands
% in Matlab, by default j = sqrt(-1)
% determine # of subbands, M
L = length(x);
M = L/2;
% normalized FFT of input
U = sqrt(1/(2*M)) * fft(x);
% compute modulation function
k = [0:M]';
c = W(8,2*k+1) .* W(4*M,k);
% modulate U into V
V = c .* U(1:M+1);
% compute MCLT coefficients
X = j * V(1:M) + V(2:M+1);
return;
% Local function: complex exponential
function w = W(M,r)
w = exp(-j*2*pi*r/M);
return;
Even though this question is kinda borderline for SO, the paper was quite interesting so I decided to invest some time reading it and trying to convert the Matlab code into Java. Here is the result:
import org.apache.commons.math3.complex.Complex;
public class MCLT
{
public static void main(String args[])
{
Complex[] x = new Complex[16];
for (int i = 1; i <= 16; ++i)
x[(i - 1)] = new Complex((double)i, 0.0d);
Complex[] result = fmclt(x);
for (int i = 0; i < result.length; ++i)
System.out.println(result[i]);
}
public static Complex[] fmclt(Complex[] x)
{
int L = x.length;
int M = L / 2;
double z = Math.sqrt(1.0d / (2.0d * M));
Complex[] F = fft(x);
Complex[] U = new Complex[F.length];
for (int i = 0; i < F.length; ++i)
U[i] = F[i].multiply(z);
double[] k = new double[(M + 1)];
for (int i = 0; i <= M; ++i)
k[i] = (double)i;
Complex[] c = new Complex[(M + 1)];
for (int i = 0; i <= M; ++i)
c[i] = W(8.0d, ((2.0d * k[i]) + 1.0d)).multiply(W((4.0d * M), k[i]));
Complex[][] V = new Complex[(M + 1)][];
for (int i = 0; i <= M; ++i)
{
V[i] = new Complex[(M + 1)];
for (int j = 0; j <= M; ++j)
V[i][j] = c[i].multiply(U[j]);
}
Complex[] V1 = new Complex[M];
for (int i = 0; i < M; ++i)
V1[i] = V[i][0];
Complex[] V2 = new Complex[M];
for (int i = 1; i <= M; ++i)
V2[(i - 1)] = V[i][0];
Complex b = new Complex(0.0d, 1.0d);
Complex[] result = new Complex[M];
for (int i = 0; i < M; ++i)
result[i] = b.multiply(V1[i]).add(V2[i]);
return result;
}
public static Complex[] fft(Complex[] x)
{
int n = x.length;
if (n == 1)
return new Complex[] { x[0] };
if ((n % 2) != 0)
throw new IllegalArgumentException("Invalid length.");
int nh = n / 2;
Complex[] even = new Complex[nh];
for (int i = 0; i < nh; ++i)
even[i] = x[(2 * i)];
Complex[] q = fft(even);
Complex[] odd = even;
for (int i = 0; i < nh; ++i)
odd[i] = x[((2 * i) + 1)];
Complex[] r = fft(odd);
Complex[] y = new Complex[n];
for (int i = 0; i < nh; ++i)
{
double kth = -2.0d * i * (Math.PI / n);
Complex wk = new Complex(Math.cos(kth), Math.sin(kth));
y[i] = q[i].add(wk.multiply(r[i]));
y[(i + nh)] = q[i].subtract(wk.multiply(r[i]));
}
return y;
}
public static Complex W(double M, double r)
{
Complex j = (new Complex(0.0d, 1.0d)).multiply(-1.0d);
double z = 2.0d * Math.PI * (r / M);
return j.multiply(z).exp();
}
}
Using separate double arrays for real and imaginary parts wasn't a good design choice in my opinion, so I decided to base my code on the Complex class of Apache Commons library instead.
In order to calculate the Fast Fourier Transform, I decided to use some ready-made code. My fft function is based on this implementation, which seems to be very reliable and makes use of the aforementioned Complex class.
Using the same vector of values, both Matlab and Java codes return the same output. You can test the code online by copy-pasting it on this website, but you also need to install the Apache Commons library before being able to successfully run it. Click on the Add External Library (from Maven Repo) button located at the bottom, and then insert the following parameters in the input form:
<!-- https://mvnrepository.com/artifact/org.apache.commons/commons-math3 -->
<dependency>
<groupId>org.apache.commons</groupId>
<artifactId>commons-math3</artifactId>
<version>3.6.1</version>
</dependency>

Cholesky decomposition generating NaNs in Java

I'm not sure whether this is a maths.se or a SO question, but I'm going with SO as I think it's related to my Java.
I'm following a text book on Gaussian Processes (R&W) and implementing some examples in Java. One common step for several examples is to generate a Cholesky decomposition of a covariance matrix. In my attempt I can get successful results for matrices up to a limited size (33x33). However, for anything larger a NaN appears in the diagonal (at 32,32) and so all subsequent values in the matrix are likewise NaNs.
The code is shown below, and the source of the NaN is indicated in the cholesky method. Essentially the covariance element a[32][32] is 1.0, but the value of sum is a little over this (1.0000001423291431), so the square root is imaginary. So my questions are:
Is this an expected result from linear algebra, or, e.g., an
artefact of my implementation?
How is this problem best avoided in practice?
Note that I'm not looking for recommendations of libraries to use. This is simply for my own understanding.
Apologies for the length, but I've tried to provide a complete MWE:
import static org.junit.Assert.assertFalse;
import org.junit.Test;
public class CholeskyTest {
#Test
public void testCovCholesky() {
final int n = 34; // Test passes for n<34
final double[] xData = getSpread(-5, 5, n);
double[][] cov = covarianceSE(xData);
double[][] lower = cholesky(cov);
for(int i=0; i<n; ++i) {
for(int j=0; j<n; ++j) {
assertFalse("NaN at " + i + "," + j, Double.isNaN(lower[i][j]));
}
}
}
/**
* Generate n evenly space values from min to max inclusive
*/
private static double[] getSpread(final double min, final double max, final int n) {
final double[] values = new double[n];
final double delta = (max - min)/(n - 1);
for(int i=0; i<n; ++i) {
values[i] = min + i*delta;
}
return values;
}
/**
* Calculate the covariance matrix for the given observations using
* the squared exponential (SE) covariance function.
*/
private static double[][] covarianceSE (double[] v) {
final int m = v.length;
double[][] k = new double[m][];
for(int i=0; i<m; ++i) {
double vi = v[i];
double row[] = new double[m];
for(int j=0; j<m; ++j) {
double dist = vi - v[j];
row[j] = Math.exp(-0.5*dist*dist);
}
k[i] = row;
}
return k;
}
/**
* Calculate lower triangular matrix L such that LL^T = A
* Using Cholesky decomposition from
* https://rosettacode.org/wiki/Cholesky_decomposition#Java
*/
private static double[][] cholesky(double[][] a) {
final int m = a.length;
double[][] l = new double[m][m];
for(int i = 0; i< m;i++){
for(int k = 0; k < (i+1); k++){
double sum = 0;
for(int j = 0; j < k; j++){
sum += l[i][j] * l[k][j];
}
l[i][k] = (i == k) ? Math.sqrt(a[i][i] - sum) : // Source of NaN at 32,32
(1.0 / l[k][k] * (a[i][k] - sum));
}
}
return l;
}
}
Hmm, I think I've found an answer to my own question, from the same textbook I was following. From R&W p.201:
In practice it may be necessary to add a small multiple of the
identity matrix $\epsilon I$ to the covariance matrix for numerical
reasons. This is because the eigenvalues of the matrix K can decay
very rapidly [...] and without this stabilization the Cholesky
decomposition fails. The effect on the generated samples is to add
additional independent noise of variance $epsilon$.
So the following change seems to be sufficient:
private static double[][] cholesky(double[][] a) {
final int m = a.length;
double epsilon = 0.000001; // Small extra noise value
double[][] l = new double[m][m];
for(int i = 0; i< m;i++){
for(int k = 0; k < (i+1); k++){
double sum = 0;
for(int j = 0; j < k; j++){
sum += l[i][j] * l[k][j];
}
l[i][k] = (i == k) ? Math.sqrt(a[i][i]+epsilon - sum) : // Add noise to diagonal values
(1.0 / l[k][k] * (a[i][k] - sum));
}
}
return l;
}
I just finished writing my own version of a Cholesky Decomposition routine in C++ and JavaScript. Instead of computing L, it computes U, but I would be curious to test it with the matrix that causes the NaN error. Would you be able to post the matrix here, or contact me (info in Profile.)

Matrix multiplication - single-dimension * multi-dimensional

I need to multiply two matrices. I understand pretty well how matrices work however in Java I am finding this a bit complex, so I researched a bit and found this.
public static int[][] multiply(int a[][], int b[][]) {
int aRows = a.length,
aColumns = a[0].length,
bRows = b.length,
bColumns = b[0].length;
int[][] resultant = new int[aRows][bColumns];
for(int i = 0; i < aRows; i++) { // aRow
for(int j = 0; j < bColumns; j++) { // bColumn
for(int k = 0; k < aColumns; k++) { // aColumn
resultant[i][j] += a[i][k] * b[k][j];
}
}
}
return resultant;
This code works fine. However the problem with this is that I need to multiply a single dimension matrix (1*5) by a multidimensional matrix (5*4), so the result will be (1*4) matrix and later on in the same program multiply a (1*4) matrix by a (4*3) matrix resulting in (1*3).
And I need to store the single dimension matrix in a normal array (double []) not multidimensional one!
I altered this code to the following but it still doesn't resolve the correct results.
public static double[] multiplyMatrices(double[] A, double[][] B) {
int xA = A.length;
int yB = B[0].length;
double[] C = new double[yB];
for (int i = 0; i < yB; i++) { // bColumn
for (int j = 0; j < xA; j++) { // aColumn
C[i] += A[j] * B[j][i];
}
}
return C;
Thanks in advance for any tips you may give :)
You can use RealMatrix to make it easier.
RealMatrix result = MatrixUtils.createRealMatrix(a).multiply(MatrixUtils.createRealMatrix(b));
double[] array = result.getRow(0);

Image Enhancement using FFT in java

I am working on fingerprint image enhancement with Fast Fourier Transformation. I got the idea from this site.
I have implemented the FFT function using 32*32 window, and after that as the referral site suggested, I want to multiply power spectrum with the FFT. But I do not get,
How do I calculate Power Spectrum for an image? Or is there any ideal value for Power Spectrum ?
Code for FFT:
public FFT(int[] pixels, int w, int h) {
// progress = 0;
input = new TwoDArray(pixels, w, h);
intermediate = new TwoDArray(pixels, w, h);
output = new TwoDArray(pixels, w, h);
transform();
}
void transform() {
for (int i = 0; i < input.size; i+=32) {
for(int j = 0; j < input.size; j+=32){
ComplexNumber[] cn = recursiveFFT(input.getWindow(i,j));
output.putWindow(i,j, cn);
}
}
for (int j = 0; j < output.values.length; ++j) {
for (int i = 0; i < output.values[0].length; ++i) {
intermediate.values[i][j] = output.values[i][j];
input.values[i][j] = output.values[i][j];
}
}
}
static ComplexNumber[] recursiveFFT(ComplexNumber[] x) {
int N = x.length;
// base case
if (N == 1) return new ComplexNumber[] { x[0] };
// radix 2 Cooley-Tukey FFT
if (N % 2 != 0) { throw new RuntimeException("N is not a power of 2"); }
// fft of even terms
ComplexNumber[] even = new ComplexNumber[N/2];
for (int k = 0; k < N/2; k++) {
even[k] = x[2*k];
}
ComplexNumber[] q = recursiveFFT(even);
// fft of odd terms
ComplexNumber[] odd = even; // reuse the array
for (int k = 0; k < N/2; k++) {
odd[k] = x[2*k + 1];
}
ComplexNumber[] r = recursiveFFT(odd);
// combine
ComplexNumber[] y = new ComplexNumber[N];
for (int k = 0; k < N/2; k++) {
double kth = -2 * k * Math.PI / N;
ComplexNumber wk = new ComplexNumber(Math.cos(kth), Math.sin(kth));
ComplexNumber tmp = ComplexNumber.cMult(wk, r[k]);
y[k] = ComplexNumber.cSum(q[k], tmp);
ComplexNumber temp = ComplexNumber.cMult(wk, r[k]);
y[k + N/2] = ComplexNumber.cDif(q[k], temp);
}
return y;
}
I'm thinking that the power spectrum is the square of the output of the Fourier transform.
power#givenFrequency = x(x*) where x* is the complex conjugate
The total power in the image block would then be the sum over all frequency and space.
I have no idea if this helps.

Port Matlab's FFT to native Java

I want to port Matlab's Fast Fourier transform function fft() to native Java code.
As a starting point I am using the code of JMathLib where the FFT is implemented as follows:
// given double[] x as the input signal
n = x.length; // assume n is a power of 2
nu = (int)(Math.log(n)/Math.log(2));
int n2 = n/2;
int nu1 = nu - 1;
double[] xre = new double[n];
double[] xim = new double[n];
double[] mag = new double[n2];
double tr, ti, p, arg, c, s;
for (int i = 0; i < n; i++) {
xre[i] = x[i];
xim[i] = 0.0;
}
int k = 0;
for (int l = 1; l <= nu; l++) {
while (k < n) {
for (int i = 1; i <= n2; i++) {
p = bitrev (k >> nu1);
arg = 2 * (double) Math.PI * p / n;
c = (double) Math.cos (arg);
s = (double) Math.sin (arg);
tr = xre[k+n2]*c + xim[k+n2]*s;
ti = xim[k+n2]*c - xre[k+n2]*s;
xre[k+n2] = xre[k] - tr;
xim[k+n2] = xim[k] - ti;
xre[k] += tr;
xim[k] += ti;
k++;
}
k += n2;
}
k = 0;
nu1--;
n2 = n2/2;
}
k = 0;
int r;
while (k < n) {
r = bitrev (k);
if (r > k) {
tr = xre[k];
ti = xim[k];
xre[k] = xre[r];
xim[k] = xim[r];
xre[r] = tr;
xim[r] = ti;
}
k++;
}
// The result
// -> real part stored in xre
// -> imaginary part stored in xim
Unfortunately it doesn't give me the right results when I unit test it, for example with the array
double[] x = { 1.0d, 5.0d, 9.0d, 13.0d };
the result in Matlab:
28.0
-8.0 - 8.0i
-8.0
-8.0 + 8.0i
the result in my implementation:
28.0
-8.0 + 8.0i
-8.0
-8.0 - 8.0i
Note how the signs are wrong in the complex part.
When I use longer, more complex signals the differences between the implementations affects also the numbers. So the implementation differences does not only relate to some sign-"error".
My question: how can I adapt my implemenation to make it "equal" to the Matlab one?
Or: is there already a library that does exactly this?
in order to use Jtransforms for FFT on matrix you need to do fft col by col and then join them into a matrix. here is my code which i compared with Matlab fft
double [][] newRes = new double[samplesPerWindow*2][Matrixres.numberOfSegments];
double [] colForFFT = new double [samplesPerWindow*2];
DoubleFFT_1D fft = new DoubleFFT_1D(samplesPerWindow);
for(int y = 0; y < Matrixres.numberOfSegments; y++)
{
//copy the original col into a col and and a col of zeros before FFT
for(int x = 0; x < samplesPerWindow; x++)
{
colForFFT[x] = Matrixres.res[x][y];
}
//fft on each col of the matrix
fft.realForwardFull(colForFFT); //Y=fft(y,nfft);
//copy the output of col*2 size into a new matrix
for(int x = 0; x < samplesPerWindow*2; x++)
{
newRes[x][y] = colForFFT[x];
}
}
hope this what you are looking for. note that Jtransforms represent Complex numbers as
array[2*k] = Re[k], array[2*k+1] = Im[k]

Categories