Popular descriptors for machine learning potentials such as the Behler-Parinello atom centred symmetry functions (ACSF) or the Smooth Overlap of Interatomic Potentials (SOAP) are widely used but so far not much attention has been paid to optimising how many descriptor components need to be included to give good results.
Most of the material is available through Jupyter notebooks in GitHub, and it should be easy to reproduce with the help of Binder. With the notebooks, you could experiment with different parameters to the ones analyzed in the paper. It also contains a large dataset of physical parameters of galaxies analysed in this work. We expect this work to be easily reproducible in the steps described in the repository.
I tried hard to make this paper as reproducible as possible, but as techniques and dependencies become more complex, it is hard to make it 100% clear. Any form of feedback is more than welcome.
We propose a simple method to retrieve optical constants from single optical transmittance measurements, in particular in the fundamental absorption region. The construction of needed envelopes is arbitrary and will depend on the user. However, the method should still be robust and deliver similar results.
I guess it could be a cool learning experience. The paper is written with knitr, uses a seed, is part of the R package it describes, was openly written using version control (SVN, R-Forge) and is available in an open access journal (@up_jors).