NonNegativeLeastSquaresSolver Class Reference

Wrapper for a non-negative least squares (NNLS) solver. More...

#include <OpenMS/ML/NNLS/NonNegativeLeastSquaresSolver.h>

Public Types
enum	RETURN_STATUS { SOLVED , ITERATION_EXCEEDED }

Static Public Member Functions
static Int	solve (const Matrix< double > &A, const Matrix< double > &b, Matrix< double > &x)
	Solve the non-negative least square problem Ax=b, where x>0.
static Int	solve (double *A, int A_rows, int A_cols, std::vector< double > &b, std::vector< double > &x)
	Solve the non-negative least square problem Ax=b, where x>0. Works in-place.
static Int	solve (Matrix< double > &A, std::vector< double > &b, std::vector< double > &x)
	Solve the non-negative least square problem Ax=b using Matrix and vectors.

Detailed Description

Wrapper for a non-negative least squares (NNLS) solver.

It solves Ax=b, where x>0 in the least squares sense (i.e. minimum residual)

Member Enumeration Documentation

RETURN_STATUS

enum RETURN_STATUS

Enumerator
SOLVED
ITERATION_EXCEEDED

Member Function Documentation

solve() [1/3]

static Int solve ( const Matrix< double > &  A, const Matrix< double > &  b, Matrix< double > &  x  )

static

Solve the non-negative least square problem Ax=b, where x>0.

This overload copies the input matrix and vector before solving, preserving the originals.

Parameters

[in]	A	Input matrix A of size m x n
[in]	b	Input vector (OpenMS::Matrix with one column) b of size m x 1
[out]	x	Output vector (OpenMS::Matrix with one column) with non-negative least square solution of size n x 1

Returns

status of solution (either NonNegativeLeastSquaresSolver::SOLVED, NonNegativeLeastSquaresSolver::ITERATION_EXCEEDED)

Exceptions

Exception::InvalidParameters

if Matrix dimensions do not fit

solve() [2/3]

static Int solve ( double *  A, int  A_rows, int  A_cols, std::vector< double > &  b, std::vector< double > &  x  )

static

Solve the non-negative least square problem Ax=b, where x>0. Works in-place.

This version works directly on raw buffers and modifies inputs in-place for efficiency.

Parameters

[in,out]	A	Pointer to matrix data of size m x n (need memory-contiguous representation in column-major order, i.e., A_rows * A_cols doubles). Must be non-null and point to a buffer of at least A_rows * A_cols doubles. The caller retains ownership and must ensure A remains valid for the duration of this call. Modified in-place by the solver; contents are undefined after the call. Passing nullptr or an insufficiently sized buffer results in undefined behavior.
[in]	A_rows	Number of rows in A (must be > 0)
[in]	A_cols	Number of columns in A (must be > 0)
[in,out]	b	Input vector b of size m. Modified in-place by the solver.
[out]	x	Output vector with non-negative least square solution of size n.

Returns

status of solution (either NonNegativeLeastSquaresSolver::SOLVED, NonNegativeLeastSquaresSolver::ITERATION_EXCEEDED)

Exceptions

Exception::InvalidParameters

if A_rows does not match b.size()

Note

For a safer interface with bounds checking, prefer the Matrix<double>& overload. A future revision may adopt std::span for improved pointer safety.

solve() [3/3]

static Int solve ( Matrix< double > &  A, std::vector< double > &  b, std::vector< double > &  x  )

static

Solve the non-negative least square problem Ax=b using Matrix and vectors.

This overload works with OpenMS Matrix and std::vector, modifying inputs in-place for efficiency.

Parameters

[in,out]	A	Input matrix A of size m x n. Modified in-place by the solver.
[in,out]	b	Input vector b of size m. Modified in-place by the solver.
[out]	x	Output vector with non-negative least square solution of size n.

Returns

status of solution (either NonNegativeLeastSquaresSolver::SOLVED, NonNegativeLeastSquaresSolver::ITERATION_EXCEEDED)

Exceptions

Exception::InvalidParameters

if Matrix dimensions do not fit