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detach tensor to avoid warnings
1 parent 41191a6 commit bd59a1a

2 files changed

Lines changed: 6 additions & 4 deletions

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ms2deepscore/models/EmbeddingEvaluatorModel.py

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -134,7 +134,8 @@ def train_evaluator(
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# Calculate loss
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loss = criterion(outputs.to(device), mse_per_embedding.to(device, dtype=float32))
137-
iteration_losses.append(float(loss))
137+
loss_value = loss.detach().item()
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iteration_losses.append(loss_value)
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# Backward pass and optimize
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loss.backward()
@@ -159,7 +160,7 @@ def train_evaluator(
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mse_per_embedding = mse_per_embedding.reshape(-1, 1).clone().detach()
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loss = criterion(outputs.to(device), mse_per_embedding.to(device, dtype=float32))
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val_losses.append(float(loss))
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val_losses.append(loss_value)
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print(f">>> Val_loss: {np.mean(val_losses):.6f}")
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self.train()

ms2deepscore/models/SiameseSpectralModel.py

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -276,7 +276,8 @@ def train(
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loss = criterion(outputs, targets.to(device), weighting_factor=weighting_factor)
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if lambda_l1 > 0 or lambda_l2 > 0:
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loss += l1_regularization(model, lambda_l1) + l2_regularization(model, lambda_l2)
279-
batch_losses.append(float(loss))
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loss_value = loss.detach().item()
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batch_losses.append(loss_value)
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if monitor_rmse:
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batch_rmse.append(rmse_loss(outputs, targets.to(device)).cpu().detach().numpy())
@@ -287,7 +288,7 @@ def train(
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# Print progress
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training.set_postfix(
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loss=float(loss),
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loss=loss_value,
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rmse=np.mean(batch_rmse),
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)
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epoch_loss = np.mean(batch_losses)

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