fnnls

Rust port of Python port of MATLAB FNNLSa algorithm

Original MATLAB by Rasmus Bro

Python port by Daniel Elnatan

fnnls requires the ndarray and ndarray-linalg crates. As far as I know, fnnls provides the same corrected output from the Python port above.

A, poorly-formatted, updated fnnls.py file is provided in the main directory in case it is useful. I used this fnnls.py file as well as the original Rasmus Bro MATLAB file to try to fix an indexing error I believe was introduced in the source fnnls.py file.

Python bindings for the Rust port are provided through the PyO3 and maturin crates.

Benchmarks have not been updated after indexing bug fix but should be similar to below

Benchmarks for the same [600 x 1000] transformation matrix:

• Python scipy.optimize.nnls timeit: 35.23 ms per loop; n = 1000
• Python FNNLSa timeit: 5.30 ms per loop; n = 1000
• Rust fnnls criterion: 1.62 ms per loop; n = 5050