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[feature request] Usage of sel when restarting from previous frozen model #3939

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wanghan-iapcm opened this issue Jul 2, 2024 Discussed in #3935 · 2 comments
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@wanghan-iapcm
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Discussed in #3935

Originally posted by francescomambretti July 1, 2024
Dear all, I have a question concerning the usage of sel parameter. Let's say that I have a model 1, as a result of training on a given dataset. This model has a given value for sel. Let us suppose that I want to train a model 2, starting from the frozen model 1 using the keyword --init-frz-model, where the dataset now contains a new set of configurations which require a different (larger) value of sel, at least for some chemical elements of the system. Is it possible to use a new value for sel while restarting from model 1, or do I have to train from scratch on the new dataset (containing all the configurations) using the larger sel? Thanks!

@njzjz
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njzjz commented Jul 2, 2024

I think it has been supported in #1573 with some restraints.

@wanghan-iapcm
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I agree.
Unfortunately, we do not have a good design for this feature at the descriptor interface, thus it seems that only se_a support changing the sel.

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