Masserstein: Linear regression of mass spectra by optimal transport.

Michał Aleksander Ciach Błażej Miasojedow Grzegorz Skoraczyński Szymon Majewski Michał Piotr StartekDirk ValkenborgAnna Gambin

Published in: Rapid communications in mass spectrometry : RCM (2020)

We have developed a linear regression algorithm based on the notion of the cost of transporting signal between spectra. Our implementation is available in a Python 3 package called masserstein, which is freely available at https://github.com/mciach/masserstein.

Keyphrases

density functional theory
primary care
machine learning
neural network
healthcare
deep learning
quality improvement