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Update pypolymlp doc

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Atsushi Togo 2024-09-20 14:25:17 +09:00
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## Convergence with respect to dataset size ## Convergence with respect to dataset size
In general, increasing the amount of data improves the accuracy of representing force constants. Therefore, it is recommended to check the convergence of the target property as the dataset size grows. Lattice thermal conductivity is a convenient property to monitor when assessing convergence with respect to the number of supercells in the training dataset. In general, increasing the amount of data improves the accuracy of representing
force constants. Therefore, it is recommended to check the convergence of the
target property with respect to the number of supercells in the training
dataset. Lattice thermal conductivity may be a convenient property to monitor
when assessing convergence.
## Parameters for developing MLPs ## Parameters for developing MLPs