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ppdebreuck / modnet

MODNet: a framework for machine learning materials properties
MIT License
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Passing of `ga_settings` in `matbench_benchmark()` #227

Closed kaueltzen closed 3 weeks ago

kaueltzen commented 1 month ago

Hi, the ga_settings parameter of matbench_benchmark() allows to specify some ga.run() parameters. https://github.com/ppdebreuck/modnet/blob/e14188d3b8a036bba0a1d9c0a3f538dc58c3cd29/modnet/matbench/benchmark.py#L249-L257

I wanted to ask if the explicit passing of 4 dict values could be replaced with **ga_settings or similar.

For example, it would be very helpful if one could pass a loss argument here as it seems to be set to "mae" irrespective of if it is actually a regression task (or maybe I'm missing some correction to that later in the code when the individual models are trained, would be great if you could clarify that).

ppdebreuck commented 1 month ago

Hi ! Good point ! I have nothing againt passing it as **ga_settings, so happy to merge this in ! About the 'mae' being overwritten or not, I don't know this on the top of my head; but can look into it if it is important for you, let me know :)

kaueltzen commented 1 month ago

Hi, thanks for your reply!

About the 'mae' being overwritten or not, I don't know this on the top of my head; but can look into it if it is important for you, let me know :)

No thanks, with the changes in #230 this should be fine(: