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sgbaird / honegumi

Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
https://honegumi.readthedocs.io/
MIT License
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Composition constraint not satisfied? #71

Open henkjanvanmanen opened 1 day ago

henkjanvanmanen commented 1 day ago

Hello,

I like the Honegumi philosophy and decided to try and reproduce the results from the tutorial Multi Objective Optimization of Polymers for Strength and Biodegradability using the Google Colab link (mobo.ipynb) provided on the Honegumi website.

When running ax_client.get_trials_data_frame() after the 35 trials (Sobol and BoTorch) of the tutorial and inspecting this dataframe, I noticed that the composition constraint (sum of the x1-x5 feature values should equal 1.0) was not satisfied for the large majority of trials.

Can someone confirm that this is indeed the case? Could there be an issue with the way the composition constraint is currently defined/coded?

Thanks for any feedback/help!

henkjanvanmanen commented 23 hours ago

I'm digging a bit deeper in the code. Could it be that the ax_client.get_trials_data_frame() dataframe does not show the updated x5 (1.0 - (x1+x2+x3+x4))? In that case it looks like the sum does not add up to one in the dataframe but in fact the composition constraint is correctly applied.

sgbaird commented 14 hours ago

I'm digging a bit deeper in the code. Could it be that the ax_client.get_trials_data_frame() dataframe does not show the updated x5 (1.0 - (x1+x2+x3+x4))? In that case it looks like the sum does not add up to one in the dataframe but in fact the composition constraint is correctly applied.

Thanks for catching! @AndrewFalkowski could you update the tutorial such that x5 is "hidden" from Ax's perspective? (I.e., shouldn't appear in the search space, gets calculated outside of Ax before passing the parameters into the obj. function)

henkjanvanmanen commented 2 hours ago

Thanks for catching! @AndrewFalkowski could you update the tutorial such that x5 is "hidden" from Ax's perspective? (I.e., shouldn't appear in the search space, gets calculated outside of Ax before passing the parameters into the obj. function)

Great! I really like the tutorials with examples from the materials field, thanks a lot!