Conjuntos de redes neuronales con PyTorch y Sklearn

Las redes neuronales son bastante populares. Su principal ventaja es que pueden generalizar datos bastante complejos en los que otros algoritmos muestran baja calidad. Pero, ¿qué pasa si la calidad de la red neuronal sigue siendo insatisfactoria?


Y aquí los conjuntos vienen al rescate ...


¿Qué son los conjuntos?


Un conjunto de algoritmos de aprendizaje automático es el uso de varios modelos (no necesariamente diferentes) en lugar de uno. Es decir, primero entrenamos cada modelo y luego combinamos sus predicciones. Resulta que nuestros modelos juntos forman un modelo más complejo (en términos de capacidad de generalización: la capacidad de "comprender" los datos), que a menudo se denomina metamodelo . Muy a menudo, el metamodelo ya no está entrenado en nuestra muestra de datos inicial, sino en las predicciones de otros modelos. Parece tener en cuenta la experiencia de todos los modelos, y esto ayuda a reducir los errores.


Plan


  1. Primero miramos un modelo PyTorch simple y obtenemos su calidad.
  2. Luego ensamblaremos varios modelos usando Scikit-learn y aprenderemos cómo alcanzar un nivel superior

Un solo modelo


Por lo tanto, trabajaremos con el conjunto de datos Dígitos de Sklearn, ya que puede obtenerse simplemente en dos líneas de código:


#  
from sklearn.datasets import load_digits
import numpy as np
import matplotlib.pyplot as plt

# ,  
x, y = load_digits(n_class=10, return_X_y=True)

Veamos cómo se ven nuestros datos:


print(x.shape)
>>> (1797, 64)
print(np.unique(y))
>>> array([0, 1, 2, 3, 4, 5, 6, 7, 8, 9])

index = 0

print(y[index])
plt.imshow(x[index].reshape(8, 8), cmap="Greys")

Hermoso dedo del pie


x[index]
>>> array([ 0.,  0.,  5., 13.,  9.,  1.,  0.,  0.,  0.,  0., 13., 15., 10.,
       15.,  5.,  0.,  0.,  3., 15.,  2.,  0., 11.,  8.,  0.,  0.,  4.,
       12.,  0.,  0.,  8.,  8.,  0.,  0.,  5.,  8.,  0.,  0.,  9.,  8.,
        0.,  0.,  4., 11.,  0.,  1., 12.,  7.,  0.,  0.,  2., 14.,  5.,
       10., 12.,  0.,  0.,  0.,  0.,  6., 13., 10.,  0.,  0.,  0.])

Sí, los números toman valores del 0 al 15. Entonces, necesitamos normalización:


from sklearn.model_selection import train_test_split
from sklearn.preprocessing import StandardScaler

#      
x_train, x_test, y_train, y_test = train_test_split(x, y, test_size=0.2,
                                                    shuffle=True, random_state=42)
print(x_train.shape)
>>> (1437, 64)
print(x_test.shape)
>>> (360, 64)

Usamos StandardScaler: transfiere todos los datos a los límites de -1 a 1. Lo entrenamos solo en la muestra de entrenamiento, para que no se adapte a la prueba, por lo que la puntuación del modelo después de la prueba estará más cerca de la puntuación en datos reales:


scaler = StandardScaler()
scaler.fit(x_train)

Y normalizamos nuestros datos:


x_train_scaled = scaler.transform(x_train)
x_test_scaled = scaler.transform(x_test)

Tiempo de la antorcha!


import torch
from torch.utils.data import TensorDataset, DataLoader
import torch.nn as nn
import torch.nn.functional as F
from torch.optim import Adam

Una red convolucional simple es suficiente para demostrar:


class SimpleCNN(nn.Module):
  def __init__(self):
    super(SimpleCNN, self).__init__()

    #  
    self.conv1 = nn.Conv2d(in_channels=1, out_channels=3, kernel_size=5, stride=1, padding=2)
    self.conv1_s = nn.Conv2d(in_channels=3, out_channels=3, kernel_size=5, stride=2, padding=2)
    self.conv2 = nn.Conv2d(in_channels=3, out_channels=6, kernel_size=3, stride=1, padding=1)
    self.conv2_s = nn.Conv2d(in_channels=6, out_channels=6, kernel_size=3, stride=2, padding=1)
    self.conv3 = nn.Conv2d(in_channels=6, out_channels=10, kernel_size=3, stride=1, padding=1)
    self.conv3_s = nn.Conv2d(in_channels=10, out_channels=10, kernel_size=3, stride=2, padding=1)

    self.flatten = nn.Flatten()
    #   
    self.fc1 = nn.Linear(10, 10)

  #   ""   
  def forward(self, x):
    x = F.relu(self.conv1(x))
    x = F.relu(self.conv1_s(x))
    x = F.relu(self.conv2(x))
    x = F.relu(self.conv2_s(x))
    x = F.relu(self.conv3(x))
    x = F.relu(self.conv3_s(x))

    x = self.flatten(x)
    x = self.fc1(x)
    x = F.softmax(x)

    return x

Defina algunos hiperparámetros:


batch_size = 64 #  
learning_rate = 1e-3 #  
epochs = 200 #   

Primero, convierta los datos a los tensores con los que trabaja PyTorch:


x_train_tensor = torch.tensor(x_train_scaled.reshape(-1, 1, 8, 8).astype(np.float32))
x_test_tensor = torch.tensor(x_test_scaled.reshape(-1, 1, 8, 8).astype(np.float32))

y_train_tensor = torch.tensor(y_train.astype(np.long))
y_test_tensor = torch.tensor(y_test.astype(np.long))

PyTorch , — . — , X y ( ), DataLoader — , <X, y> 64 :


train_dataset = TensorDataset(x_train_tensor, y_train_tensor)
train_loader = DataLoader(train_dataset, batch_size=batch_size)

test_dataset = TensorDataset(x_test_tensor, y_test_tensor)
test_loader = DataLoader(test_dataset, batch_size=batch_size)

, :


simple_cnn = SimpleCNN().cuda() #   gpu,   ,  
criterion = nn.CrossEntropyLoss()
optimizer = Adam(simple_cnn.parameters(), lr=learning_rate)

:


for epoch in range(epochs): #  200 
  simple_cnn.train()
  train_samples_count = 0 #   ,     
  true_train_samples_count = 0 #    
  running_loss = 0

  for batch in train_loader:
    x_data = batch[0].cuda() #      gpu
    y_data = batch[1].cuda()

    y_pred = simple_cnn(x_data)
    loss = criterion(y_pred, y_data)

    optimizer.zero_grad()
    loss.backward()
    optimizer.step() #   

    running_loss += loss.item()

    y_pred = y_pred.argmax(dim=1, keepdim=False)
    true_classified = (y_pred == y_data).sum().item() #       
    true_train_samples_count += true_classified
    train_samples_count += len(x_data) #   

  train_accuracy = true_train_samples_count / train_samples_count
  print(f"[{epoch}] train loss: {running_loss}, accuracy: {round(train_accuracy, 4)}") #  

  #   
  simple_cnn.eval()
  test_samples_count = 0
  true_test_samples_count = 0
  running_loss = 0

  for batch in test_loader:
    x_data = batch[0].cuda()
    y_data = batch[1].cuda()

    y_pred = simple_cnn(x_data)
    loss = criterion(y_pred, y_data)

    loss.backward()

    running_loss += loss.item()

    y_pred = y_pred.argmax(dim=1, keepdim=False)
    true_classified = (y_pred == y_data).sum().item()
    true_test_samples_count += true_classified
    test_samples_count += len(x_data)

  test_accuracy = true_test_samples_count / test_samples_count
  print(f"[{epoch}] test loss: {running_loss}, accuracy: {round(test_accuracy, 4)}")

,

- Torch' , . . 20 .


[180] train loss: 40.52328181266785, accuracy: 0.6966
[180] test loss: 10.813781499862671, accuracy: 0.6583
[181] train loss: 40.517325043678284, accuracy: 0.6966
[181] test loss: 10.811877608299255, accuracy: 0.6611
[182] train loss: 40.517088294029236, accuracy: 0.6966
[182] test loss: 10.814386487007141, accuracy: 0.6611
[183] train loss: 40.515315651893616, accuracy: 0.6966
[183] test loss: 10.812204122543335, accuracy: 0.6611
[184] train loss: 40.5108939409256, accuracy: 0.6966
[184] test loss: 10.808713555335999, accuracy: 0.6639
[185] train loss: 40.50885498523712, accuracy: 0.6966
[185] test loss: 10.80833113193512, accuracy: 0.6639
[186] train loss: 40.50892996788025, accuracy: 0.6966
[186] test loss: 10.809209108352661, accuracy: 0.6639
[187] train loss: 40.508036971092224, accuracy: 0.6966
[187] test loss: 10.806900978088379, accuracy: 0.6667
[188] train loss: 40.507275462150574, accuracy: 0.6966
[188] test loss: 10.79791784286499, accuracy: 0.6611
[189] train loss: 40.50368785858154, accuracy: 0.6966
[189] test loss: 10.799399137496948, accuracy: 0.6667
[190] train loss: 40.499858379364014, accuracy: 0.6966
[190] test loss: 10.795265793800354, accuracy: 0.6611
[191] train loss: 40.498780846595764, accuracy: 0.6966
[191] test loss: 10.796114206314087, accuracy: 0.6639
[192] train loss: 40.497228503227234, accuracy: 0.6966
[192] test loss: 10.790620803833008, accuracy: 0.6639
[193] train loss: 40.44325613975525, accuracy: 0.6973
[193] test loss: 10.657087206840515, accuracy: 0.7
[194] train loss: 39.62049174308777, accuracy: 0.7495
[194] test loss: 10.483307123184204, accuracy: 0.7222
[195] train loss: 39.24516046047211, accuracy: 0.7613
[195] test loss: 10.462445378303528, accuracy: 0.7278
[196] train loss: 39.16947162151337, accuracy: 0.762
[196] test loss: 10.488057255744934, accuracy: 0.7222
[197] train loss: 39.196797251701355, accuracy: 0.7634
[197] test loss: 10.502906918525696, accuracy: 0.7222
[198] train loss: 39.395434617996216, accuracy: 0.7537
[198] test loss: 10.354896545410156, accuracy: 0.7472
[199] train loss: 39.331292152404785, accuracy: 0.7509
[199] test loss: 10.367400050163269, accuracy: 0.7389

, : .


, : 74% . Not great, not terrible.


!


Bagging. : , , . : "" , - . .


sklearn ensembles, . — , BaggingClassifier:


import sklearn
from sklearn.ensemble import BaggingClassifier

. sklearn, — , sklearn.base.BaseEstimator. , . fit ( ), predict_proba, ( , ), predict ( ), .


, "" .


. , , .


-, ( 2 — get_params set_params), , . , net_type, __init__ net_type.


-, , , ( sklearn , ) copy, deepcopy . , , () , , .


class PytorchModel(sklearn.base.BaseEstimator):
  def __init__(self, net_type, net_params, optim_type, optim_params, loss_fn,
               input_shape, batch_size=32, accuracy_tol=0.02, tol_epochs=10,
               cuda=True):
    self.net_type = net_type #    
    self.net_params = net_params #  
    self.optim_type = optim_type #    
    self.optim_params = optim_params #  
    self.loss_fn = loss_fn #   loss'

    self.input_shape = input_shape #   
    self.batch_size = batch_size #  
    self.accuracy_tol = accuracy_tol #  ,    -- 
    self.tol_epochs = tol_epochs #      
    self.cuda = cuda #    gpu

: fit. , — , Loss, . : , ? . , 200 ( ). , . — , accuracy . , accuracy . , (tol_epochs) ( accuracy , accuracy_tol).


  def fit(self, X, y):
    self.net = self.net_type(**self.net_params) #        
    # `**self.net_params` ,   -            
    if self.cuda:
      self.net = self.net.cuda() #    gpu,    
    self.optim = self.optim_type(self.net.parameters(), **self.optim_params) #   ,  
    #         

    uniq_classes = np.sort(np.unique(y)) #   
    self.classes_ = uniq_classes #      sklearn --      `classes_`

    X = X.reshape(-1, *self.input_shape) #         
    #       DataLoader
    x_tensor = torch.tensor(X.astype(np.float32))
    y_tensor = torch.tensor(y.astype(np.long))
    train_dataset = TensorDataset(x_tensor, y_tensor)
    train_loader = DataLoader(train_dataset, batch_size=self.batch_size,
                              shuffle=True, drop_last=False)
    last_accuracies = [] #    accuracy    `tol_epochs` 
    epoch = 0
    keep_training = True
    while keep_training:
      self.net.train() #        (,    BatchNormalization)
      train_samples_count = 0 #    
      true_train_samples_count = 0 #     

      for batch in train_loader:
        x_data, y_data = batch[0], batch[1]
        if self.cuda:
          x_data = x_data.cuda()
          y_data = y_data.cuda()

        #    
        y_pred = self.net(x_data)
        loss = self.loss_fn(y_pred, y_data)

        #   
        self.optim.zero_grad()
        loss.backward()
        self.optim.step()

        y_pred = y_pred.argmax(dim=1, keepdim=False) #    ,     
        true_classified = (y_pred == y_data).sum().item() #     
        true_train_samples_count += true_classified
        train_samples_count += len(x_data)

      train_accuracy = true_train_samples_count / train_samples_count #  accuracy
      last_accuracies.append(train_accuracy)

      if len(last_accuracies) > self.tol_epochs:
        last_accuracies.pop(0)

      if len(last_accuracies) == self.tol_epochs:
        accuracy_difference = max(last_accuracies) - min(last_accuracies) # ,     accuracy   `tol_epochs` 
        if accuracy_difference <= self.accuracy_tol:
          keep_training = False #   ,  

. — , Loss, - :


  def predict_proba(self, X, y=None):
    #   ,    fit,  DataLoader,     
    X = X.reshape(-1, *self.input_shape)
    x_tensor = torch.tensor(X.astype(np.float32))
    if y:
      y_tensor = torch.tensor(y.astype(np.long))
    else:
      y_tensor = torch.zeros(len(X), dtype=torch.long)
    test_dataset = TensorDataset(x_tensor, y_tensor)
    test_loader = DataLoader(test_dataset, batch_size=self.batch_size,
                              shuffle=False, drop_last=False)

    self.net.eval() #    ,   `train`,     BatchNormalization,    -    
    predictions = [] # ,   
    for batch in test_loader:
      x_data, y_data = batch[0], batch[1]
      if self.cuda:
        x_data = x_data.cuda()
        y_data = y_data.cuda()

      y_pred = self.net(x_data)

      predictions.append(y_pred.detach().cpu().numpy()) #   ,    numpy-      

    predictions = np.concatenate(predictions) #          
    return predictions

:


  def predict(self, X, y=None):
    predictions = self.predict_proba(X, y) #   
    predictions = predictions.argmax(axis=1) #    ,    
    return predictions

class PytorchModel(sklearn.base.BaseEstimator):
  def __init__(self, net_type, net_params, optim_type, optim_params, loss_fn,
               input_shape, batch_size=32, accuracy_tol=0.02, tol_epochs=10,
               cuda=True):
    self.net_type = net_type
    self.net_params = net_params
    self.optim_type = optim_type
    self.optim_params = optim_params
    self.loss_fn = loss_fn

    self.input_shape = input_shape
    self.batch_size = batch_size
    self.accuracy_tol = accuracy_tol
    self.tol_epochs = tol_epochs
    self.cuda = cuda

  def fit(self, X, y):
    self.net = self.net_type(**self.net_params)
    if self.cuda:
      self.net = self.net.cuda()
    self.optim = self.optim_type(self.net.parameters(), **self.optim_params)

    uniq_classes = np.sort(np.unique(y))
    self.classes_ = uniq_classes

    X = X.reshape(-1, *self.input_shape)
    x_tensor = torch.tensor(X.astype(np.float32))
    y_tensor = torch.tensor(y.astype(np.long))
    train_dataset = TensorDataset(x_tensor, y_tensor)
    train_loader = DataLoader(train_dataset, batch_size=self.batch_size,
                              shuffle=True, drop_last=False)
    last_accuracies = []
    epoch = 0
    keep_training = True
    while keep_training:
      self.net.train()
      train_samples_count = 0
      true_train_samples_count = 0

      for batch in train_loader:
        x_data, y_data = batch[0], batch[1]
        if self.cuda:
          x_data = x_data.cuda()
          y_data = y_data.cuda()

        y_pred = self.net(x_data)
        loss = self.loss_fn(y_pred, y_data)

        self.optim.zero_grad()
        loss.backward()
        self.optim.step()

        y_pred = y_pred.argmax(dim=1, keepdim=False)
        true_classified = (y_pred == y_data).sum().item()
        true_train_samples_count += true_classified
        train_samples_count += len(x_data)

      train_accuracy = true_train_samples_count / train_samples_count
      last_accuracies.append(train_accuracy)

      if len(last_accuracies) > self.tol_epochs:
        last_accuracies.pop(0)

      if len(last_accuracies) == self.tol_epochs:
        accuracy_difference = max(last_accuracies) - min(last_accuracies)
        if accuracy_difference <= self.accuracy_tol:
          keep_training = False

  def predict_proba(self, X, y=None):
    X = X.reshape(-1, *self.input_shape)
    x_tensor = torch.tensor(X.astype(np.float32))
    if y:
      y_tensor = torch.tensor(y.astype(np.long))
    else:
      y_tensor = torch.zeros(len(X), dtype=torch.long)
    test_dataset = TensorDataset(x_tensor, y_tensor)
    test_loader = DataLoader(test_dataset, batch_size=self.batch_size,
                              shuffle=False, drop_last=False)

    self.net.eval()
    predictions = []
    for batch in test_loader:
      x_data, y_data = batch[0], batch[1]
      if self.cuda:
        x_data = x_data.cuda()
        y_data = y_data.cuda()

      y_pred = self.net(x_data)

      predictions.append(y_pred.detach().cpu().numpy())

    predictions = np.concatenate(predictions)
    return predictions

  def predict(self, X, y=None):
    predictions = self.predict_proba(X, y)
    predictions = predictions.argmax(axis=1)
    return predictions

, :


base_model = PytorchModel(net_type=SimpleCNN, net_params=dict(), optim_type=Adam,
                          optim_params={"lr": 1e-3}, loss_fn=nn.CrossEntropyLoss(),
                          input_shape=(1, 8, 8), batch_size=32, accuracy_tol=0.02,
                          tol_epochs=10, cuda=True)

base_model.fit(x_train_scaled, y_train) #  

preds = base_model.predict(x_test_scaled) #    
true_classified = (preds == y_test).sum() #    
test_accuracy = true_classified / len(y_test) # accuracy

print(f"Test accuracy: {test_accuracy}")
>>> Test accuracy: 0.7361111111111112

.


meta_classifier = BaggingClassifier(base_estimator=base_model, n_estimators=10) # ,        

meta_classifier.fit(x_train_scaled.reshape(-1, 64), y_train) #    ,     ,  reshape'
>>> BaggingClassifier(
           base_estimator=PytorchModel(accuracy_tol=0.02, batch_size=32,
              cuda=True, input_shape=(1, 8, 8),
              loss_fn=CrossEntropyLoss(),
              net_params={},
              net_type=<class '__main__.SimpleCNN'>,
              optim_params={'lr': 0.001},
              optim_type=<class 'torch.optim.adam.Adam'>,
              tol_epochs=10),
          bootstrap=True, bootstrap_features=False, max_features=1.0,
          max_samples=1.0, n_estimators=10, n_jobs=None,
          oob_score=False, random_state=None, verbose=0,
          warm_start=False)

score accuracy :


print(meta_classifier.score(x_test_scaled.reshape(-1, 64), y_test))
>>> 0.95


, . . . , , ( "" - ).


?


-, . , Loss' - .


-, Boosting. Bagging' , , . ( ) . sklearn, Loss - .


, . , "" . , .



, . — - , , , , , .


. , Data science' . Computer vision, . ( — !) — FARADAY Lab. — , .


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