Migrating from partial least squares discriminant analysis to artificial neural networks: a comparison of functionally equivalent visualisation and feature contribution tools using jupyter notebooks.
Kevin M MendezDavid I BroadhurstStacey N ReinkePublished in: Metabolomics : Official journal of the Metabolomic Society (2020)
We have shown that it is possible to migrate the standardised PLS-DA workflow to simple non-linear ANNs. This result opens the door for more widespread use and to the investigation of transparent interpretation of more complex ANN architectures.