如何使用 PyTorch 计算 Monte Carlo Dropout 神经网络的不确定性？

Question

I am trying to implement Bayesian CNN using Mc Dropout on Pytorch, the main idea is that by applying dropout at test time and running over many forward passes, you get predictions from a variety of different models. I need to obtain the uncertainty, does anyone have an idea of how I can do it Please

This is how I defined my CNN '''

  class Net(nn.Module):
   def __init__(self):
    super(Net, self).__init__()
    self.conv1 = nn.Conv2d(3, 6, 5)
    self.pool = nn.MaxPool2d(2, 2)
    self.conv2 = nn.Conv2d(6, 16, 5)
    self.fc1 = nn.Linear(16 * 5 * 5, 120)
    self.fc2 = nn.Linear(120, 84)
    self.fc3 = nn.Linear(84, 10)
    self.dropout = nn.Dropout(p=0.3)

    nn.init.xavier_uniform_(self.conv1.weight)
    nn.init.constant_(self.conv1.bias, 0.0)
    nn.init.xavier_uniform_(self.conv2.weight)
    nn.init.constant_(self.conv2.bias, 0.0)
    nn.init.xavier_uniform_(self.fc1.weight)
    nn.init.constant_(self.fc1.bias, 0.0)
    nn.init.xavier_uniform_(self.fc2.weight)
    nn.init.constant_(self.fc2.bias, 0.0)
    nn.init.xavier_uniform_(self.fc3.weight)
    nn.init.constant_(self.fc3.bias, 0.0)

  def forward(self, x):
    x = self.pool(F.relu(self.dropout(self.conv1(x))))  # recommended to add the relu
    x = self.pool(F.relu(self.dropout(self.conv2(x))))  # recommended to add the relu
    x = x.view(-1, 16 * 5 * 5)
    x = F.relu(self.fc1(x))
    x = F.relu(self.fc2(self.dropout(x)))
    x = self.fc3(self.dropout(x))  # no activation function needed for the last layer
    return x


  model = Net().to(device)


  train_accuracies=np.zeros(num_epochs)
  test_accuracies=np.zeros(num_epochs)

  dataiter = iter(trainloader)
  images, labels = dataiter.next()
  #initializing variables

  loss_acc = []
  class_acc_mcdo = []
  start_train = True

  #Defining the Loss Function and Optimizer
  criterion = nn.CrossEntropyLoss()
  optimizer = torch.optim.Adam(model.parameters(), lr=learning_rate)


  def train():
      loss_vals = []
      acc_vals = []

      for epoch in range(num_epochs):  # loop over the dataset multiple times

          n_correct = 0  # initialize number of correct predictions
          acc = 0  # initialize accuracy of each epoch
          somme = 0  # initialize somme of losses of each epoch
          epoch_loss = []

          for i, (images, labels) in enumerate(trainloader):
              # origin shape: [4, 3, 32, 32] = 4, 3, 1024
              # input_layer: 3 input channels, 6 output channels, 5 kernel size
              images = images.to(device)
              labels = labels.to(device)

              # Forward pass
              outputs = model.train()(images)
              loss = criterion(outputs, labels)

              # Backward and optimize
              optimizer.zero_grad()  # zero the parameter gradients
              loss.backward()
              epoch_loss.append(loss.item())  # add the loss to epoch_loss list
              optimizer.step()
              # max returns (value ,index)
              _, predicted = torch.max(outputs, 1)
              n_correct += (predicted == labels).sum().item()

              # print statistics
              if (i + 1) % 2000 == 0:
                  print(f'Epoch [{epoch + 1}/{num_epochs}], Step [{i + 1}/{n_total_steps}], Loss:             
                  {loss.item():.4f}')
            

          somme = (sum(epoch_loss)) / len(epoch_loss)
          loss_vals.append(somme)  # add the epoch's loss to loss_vals

        

          print("Loss = {}".format(somme))
          acc = 100 * n_correct / len(trainset)
          acc_vals.append(acc)  # add the epoch's Accuracy to acc_vals
          print("Accuracy = {}".format(acc))

                # SAVE
          PATH = './cnn.pth'
          torch.save(model.state_dict(), PATH)

          loss_acc.append(loss_vals)
          loss_acc.append(acc_vals)
          return loss_acc

And here is the code of the mc dropout

'''

def enable_dropout(model):
    """ Function to enable the dropout layers during test-time """
    for m in model.modules():
        if m.__class__.__name__.startswith('Dropout'):
            m.train()
  
def test():
    # set non-dropout layers to eval mode
    model.eval()

    # set dropout layers to train mode
    enable_dropout(model)

    test_loss = 0
    correct = 0
    n_samples = 0
    n_class_correct = [0 for i in range(10)]
    n_class_samples = [0 for i in range(10)]
    T = 100

    for images, labels in testloader:
        images = images.to(device)
        labels = labels.to(device)

        with torch.no_grad():
            output_list = []
            # getting outputs for T forward passes
            for i in range(T):
                output_list.append(torch.unsqueeze(model(images), 0))

        # calculating mean
        output_mean = torch.cat(output_list, 0).mean(0)

        test_loss += F.nll_loss(F.log_softmax(output_mean, dim=1), labels,
                            reduction='sum').data  # sum up batch loss
        _, predicted = torch.max(output_mean, 1)  # get the index of the max log-probability
        correct += (predicted == labels).sum().item()  # sum up correct predictions
        n_samples += labels.size(0)

        for i in range(batch_size):
            label = labels[i]
            predi = predicted[i]

            if (label == predi):
                n_class_correct[label] += 1
            n_class_samples[label] += 1

    test_loss /= len(testloader.dataset)

    # PRINT TO HTML PAGE
    print('\n Average loss: {:.4f}, Accuracy:  ({:.3f}%)\n'.format(
        test_loss,
        100. * correct / n_samples))


    # Accuracy for each class
    acc_classes = []
    for i in range(10):
        acc = 100.0 * n_class_correct[i] / n_class_samples[i]
        print(f'Accuracy of {classes[i]}: {acc} %')
        acc_classes.append(acc)

    class_acc_mcdo.extend(acc_classes)
    print('Finished Testing')

Answer 1

You can compute the statistics, such as the sample mean or the sample variance, of different stochastic forward passes at test time (ie with the test or validation data), when the dropout is enabled. These statistics can be used to represent uncertainty. For example, you can compute the entropy, which is a measure of uncertainty, from the sample mean.