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If i have two LabeledSystem (LabeledSystem_1, LabeledSystem_2), the number of atoms in LabeledSystem_1 is 108, and the number of atoms in LabeledSystem_2 is 72. What is loading order during training process? Does they are loaded seperately in sequence? Maybe just like the following code?
Or deepmd-kit uses something similar to probability to select the data system, but it is difficult to ensure that all frames are traversed in one cycle. I The above issues have been bothering me for a long time. Looking forward to everyone joining the discussion |
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I think it picks randomly a system (the probability depends on the number of batches in each system) and then it picks randomly one batch of that system. |
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The system is picked randomly. The frames in a system are traversed once per epoch. Different systems don't share the same epoch. |
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The system is picked randomly. The frames in a system are traversed once per epoch. Different systems don't share the same epoch.