use .4g as format gives better float representation for numbers in tr…

…aining, especially loss
ACEsuit · Nov 14, 2024 · 98347f3 · 98347f3
1 parent bd41231
commit 98347f3
Showing 1 changed file with 10 additions and 10 deletions.
diff --git a/mace/tools/train.py b/mace/tools/train.py
@@ -60,7 +60,7 @@ def valid_err_log(
         error_e = eval_metrics["rmse_e_per_atom"] * 1e3
         error_f = eval_metrics["rmse_f"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, RMSE_E_per_atom={error_e:8.2f} meV, RMSE_F={error_f:8.2f} meV / A"
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, RMSE_E_per_atom={error_e:.4g} meV, RMSE_F={error_f:.4g} meV / A"
         )
     elif (
         log_errors == "PerAtomRMSEstressvirials"
@@ -70,7 +70,7 @@ def valid_err_log(
         error_f = eval_metrics["rmse_f"] * 1e3
         error_stress = eval_metrics["rmse_stress"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, RMSE_E_per_atom={error_e:8.2f} meV, RMSE_F={error_f:8.2f} meV / A, RMSE_stress={error_stress:8.2f} meV / A^3",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, RMSE_E_per_atom={error_e:.4g} meV, RMSE_F={error_f:.4g} meV / A, RMSE_stress={error_stress:.4g} meV / A^3",
         )
     elif (
         log_errors == "PerAtomRMSEstressvirials"
@@ -80,7 +80,7 @@ def valid_err_log(
         error_f = eval_metrics["rmse_f"] * 1e3
         error_virials = eval_metrics["rmse_virials_per_atom"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, RMSE_E_per_atom={error_e:8.2f} meV, RMSE_F={error_f:8.2f} meV / A, RMSE_virials_per_atom={error_virials:8.2f} meV",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, RMSE_E_per_atom={error_e:.4g} meV, RMSE_F={error_f:.4g} meV / A, RMSE_virials_per_atom={error_virials:.4g} meV",
         )
     elif (
         log_errors == "PerAtomMAEstressvirials"
@@ -90,7 +90,7 @@ def valid_err_log(
         error_f = eval_metrics["mae_f"] * 1e3
         error_stress = eval_metrics["mae_stress"] * 1e3
         logging.info(
-            f"{inintial_phrase}: loss={valid_loss:8.8f}, MAE_E_per_atom={error_e:8.2f} meV, MAE_F={error_f:8.2f} meV / A, MAE_stress={error_stress:8.2f} meV / A^3"
+            f"{inintial_phrase}: loss={valid_loss:.4g}, MAE_E_per_atom={error_e:.4g} meV, MAE_F={error_f:.4g} meV / A, MAE_stress={error_stress:.4g} meV / A^3"
         )
     elif (
         log_errors == "PerAtomMAEstressvirials"
@@ -100,37 +100,37 @@ def valid_err_log(
         error_f = eval_metrics["mae_f"] * 1e3
         error_virials = eval_metrics["mae_virials"] * 1e3
         logging.info(
-            f"{inintial_phrase}: loss={valid_loss:8.8f}, MAE_E_per_atom={error_e:8.2f} meV, MAE_F={error_f:8.2f} meV / A, MAE_virials={error_virials:8.2f} meV"
+            f"{inintial_phrase}: loss={valid_loss:.4g}, MAE_E_per_atom={error_e:.4g} meV, MAE_F={error_f:.4g} meV / A, MAE_virials={error_virials:.4g} meV"
         )
     elif log_errors == "TotalRMSE":
         error_e = eval_metrics["rmse_e"] * 1e3
         error_f = eval_metrics["rmse_f"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, RMSE_E={error_e:8.2f} meV, RMSE_F={error_f:8.2f} meV / A",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, RMSE_E={error_e:.4g} meV, RMSE_F={error_f:.4g} meV / A",
         )
     elif log_errors == "PerAtomMAE":
         error_e = eval_metrics["mae_e_per_atom"] * 1e3
         error_f = eval_metrics["mae_f"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, MAE_E_per_atom={error_e:8.2f} meV, MAE_F={error_f:8.2f} meV / A",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, MAE_E_per_atom={error_e:.4g} meV, MAE_F={error_f:.4g} meV / A",
         )
     elif log_errors == "TotalMAE":
         error_e = eval_metrics["mae_e"] * 1e3
         error_f = eval_metrics["mae_f"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, MAE_E={error_e:8.2f} meV, MAE_F={error_f:8.2f} meV / A",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, MAE_E={error_e:.4g} meV, MAE_F={error_f:.4g} meV / A",
         )
     elif log_errors == "DipoleRMSE":
         error_mu = eval_metrics["rmse_mu_per_atom"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, RMSE_MU_per_atom={error_mu:8.2f} mDebye",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, RMSE_MU_per_atom={error_mu:.4g} mDebye",
         )
     elif log_errors == "EnergyDipoleRMSE":
         error_e = eval_metrics["rmse_e_per_atom"] * 1e3
         error_f = eval_metrics["rmse_f"] * 1e3
         error_mu = eval_metrics["rmse_mu_per_atom"] * 1e3
         logging.info(
-            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:8.8f}, RMSE_E_per_atom={error_e:8.2f} meV, RMSE_F={error_f:8.2f} meV / A, RMSE_Mu_per_atom={error_mu:8.2f} mDebye",
+            f"{inintial_phrase}: head: {valid_loader_name}, loss={valid_loss:.4g}, RMSE_E_per_atom={error_e:.4g} meV, RMSE_F={error_f:.4g} meV / A, RMSE_Mu_per_atom={error_mu:.4g} mDebye",
         )