Apply different weights in loss #358
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Hello, I am using deepmd, on a system with many different atoms. I would like to know if it is possible to apply a weight in the loss of the atomic forces : imagine I have three atoms (A1,A2,A3) of type 1 and 2 such that A1 is of type 1 and A2, A3 of type 3. What i would like to do, is that in the force loss, the force acting on A1 has twice the importance of the force acting on A2 or A3, so that the error on the force for type 2 doesn't dominate the error on the force for type 1. Best |
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Yes, you can add |
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Yes, you can add
atom_pref.npy
under the directory of data set (whereenergy.npy
is). The shape of this numpy file is (Nframes, Natoms).