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Suggested parameters for a "performance" submission to matbench #26

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sgbaird opened this issue Mar 6, 2022 · 3 comments
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Suggested parameters for a "performance" submission to matbench #26

sgbaird opened this issue Mar 6, 2022 · 3 comments

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@sgbaird
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sgbaird commented Mar 6, 2022

Curious if you have any suggestions on a general set of parameters that you would use for submission to matbench. For example, number of epochs. Right now, I've been using the defaults from the Colab notebook (just for the matbench_expt_gap task).

@sgbaird
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sgbaird commented Mar 6, 2022

anthony-wang/CrabNet#26

@CompRhys
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CompRhys commented Mar 6, 2022

The parameters I used for all my testing are the ones here: https://github.com/CompRhys/aviary/blob/main/examples/roost-example.py. However I used larger numbers of epochs 250 or 400 depending on the task. I was mainly focussed on the larger tasks and so these might not be optimal for the small tasks in MatBench

@sgbaird
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sgbaird commented Mar 7, 2022

@CompRhys thanks! This is what I was looking for.

@sgbaird sgbaird closed this as completed Mar 7, 2022
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