""" 01 — Train the canonical POD-NN surrogate. Trains on the first TRAIN_SIZE=100 samples, holds out the last TEST_SIZE=400 for evaluation, retains N_MODES=4 POD modes. Saves trained artifacts to 2_AnalyzedData/trained_model/ for use by the plotting scripts (02, 05, 07, 08). """ from sklearn.metrics import r2_score, mean_squared_error, mean_absolute_error from _utils import ( load_data, train_pod_nn, predict_field, save_artifacts, seed_all, TRAIN_SIZE, TEST_SIZE, N_MODES, EPOCHS, ) def main(): seed_all() print(f"Training POD-NN | N_train={TRAIN_SIZE} N_test={TEST_SIZE} " f"r={N_MODES} epochs<={EPOCHS}") parameters, fields, _, _ = load_data() X_train = parameters[:TRAIN_SIZE] Y_train = fields[:TRAIN_SIZE] X_test = parameters[-TEST_SIZE:] Y_test = fields[-TEST_SIZE:] trained = train_pod_nn(X_train, Y_train, n_modes=N_MODES, epochs=EPOCHS) var = trained["pca"].explained_variance_ratio_.sum() * 100 print(f" POD variance explained: {var:.2f}%") print(f" Stopped at epoch: {len(trained['history']['loss'])}") Y_pred = predict_field(trained, X_test) r2 = r2_score(Y_test.flatten(), Y_pred.flatten()) rmse = mean_squared_error(Y_test.flatten(), Y_pred.flatten()) ** 0.5 mae = mean_absolute_error(Y_test.flatten(), Y_pred.flatten()) print(f"\nTest set metrics ({TEST_SIZE} samples):") print(f" R2 = {r2:.6f}") print(f" RMSE = {rmse:.4f} K") print(f" MAE = {mae:.4f} K") save_artifacts(trained) if __name__ == "__main__": main()