Figure 4

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(A) Comparison of the DFT energies (EDFT) and the MLP energies (EMLP) of the different cluster systems in the training dataset. (B) Comparison of the DFT forces (FDFT) and the MLP forces (EMLP) of the different cluster systems in the training dataset. (C) Comparison of EDFT and EMLP of the Cu147, Cu201, Cu309, Cu405 sampled from MD simulations. (D) Comparison of FDFT and EMLP of the Cu147, Cu201, Cu309, Cu405 sampled from MD simulations. RMSE, mean-signed-error (MSE), and mean-unsigned-error (MUE) are shown in the figure.
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