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theochem / procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
https://procrustes.qcdevs.org/
GNU General Public License v3.0
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One-Sided Procrustes for Toeplitz matrices #84

Open PaulWAyers opened 3 years ago

PaulWAyers commented 3 years ago

The Procrustes method can be solved where the transformation is a Toeplitz matrix http://dx.doi.org/10.1155/2013/696019 I don't know any applications of this, so I consider it low priority. But it does look straightforward.

PaulWAyers commented 3 years ago

This can also be used for Hankel matrices.

A key question is whether the "closest Toeplitz matrix" or "closest Hankel matrix" to a given matrix is useful? Or are there cases wehre the transformation as a Hankel/Toeplitz matrix.

PaulWAyers commented 2 years ago

This issue is "easy" (it seems) but I don't see an application, so I've marked it low priority.

PK-SS commented 1 year ago

I want to debug this error. Please guide me for furthur things.

FanwangM commented 1 year ago

Thank you for your interest. I would assume you want to learn how to start. You can go through our Procrustes paper (https://doi.org/10.1016/j.cpc.2022.108334) as well as this one (http://dx.doi.org/10.1155/2013/696019). You can get familiar with the general background and the related math details for one-sided Procrustes for Toeplitz matrices problem. Then you can start to get familiar with the API design and implement your codes. But please be sure to fork our repo and work on a new branch instead of the master/main branch. Once you think the code is ready for review, please make a pull request and tag me. I will take a look.

Thank you and feel free to post details questions in GitHub Actions. @PK-SS

PaulWAyers commented 1 year ago

@PK-SS are you still interested in this?