Pytorch入门（对比Numpy实现简单神经网络）

1.用numpy实现两层神经网络

一个全连接ReLU神经网络，一个隐藏层，没有bias。用来从x预测y，使用L2 Loss。

• $h=W_{1}X$
• $a=max(0,h)$
• $y_{hat}=W_{2}a$

这一实现完全使用numpy来计算前向神经网络，loss，和反向传播。

• forward pass
• loss
• backward pass

numpy ndarray是一个普通的n维array。它不知道任何关于深度学习或者梯度(gradient)的知识，也不知道计算图(computation graph)，只是一种用来计算数学运算的数据结构。

N, D_in, H, D_out = 64, 1000, 100, 10

# 随机创建一些训练数据
x = np.random.randn(N, D_in)
y = np.random.randn(N, D_out)

w1 = np.random.randn(D_in, H)
w2 = np.random.randn(H, D_out)

learning_rate = 1e-6
for it in range(500):
    # Forward pass
    h = x.dot(w1) # N * H
    h_relu = np.maximum(h, 0) # N * H
    y_pred = h_relu.dot(w2) # N * D_out
    
    # compute loss
    loss = np.square(y_pred - y).sum()
    print(it, loss)
    
    # Backward pass
    # compute the gradient
    grad_y_pred = 2.0 * (y_pred - y)
    grad_w2 = h_relu.T.dot(grad_y_pred)
    grad_h_relu = grad_y_pred.dot(w2.T)
    grad_h = grad_h_relu.copy()
    grad_h[h<0] = 0
    grad_w1 = x.T.dot(grad_h)
    
    # update weights of w1 and w2
    w1 -= learning_rate * grad_w1
    w2 -= learning_rate * grad_w2

2.PyTorch: Tensors

这次我们使用PyTorch tensors来创建前向神经网络，计算损失，以及反向传播。

一个PyTorch Tensor很像一个numpy的ndarray。但是它和numpy ndarray最大的区别是，PyTorch Tensor可以在CPU或者GPU上运算。如果想要在GPU上运算，就需要把Tensor换成cuda类型。

N, D_in, H, D_out = 64, 1000, 100, 10

# 随机创建一些训练数据
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)

w1 = torch.randn(D_in, H)
w2 = torch.randn(H, D_out)

learning_rate = 1e-6
for it in range(500):
    # Forward pass
    h = x.mm(w1) # N * H
    h_relu = h.clamp(min=0) # N * H
    y_pred = h_relu.mm(w2) # N * D_out
    
    # compute loss
    loss = (y_pred - y).pow(2).sum().item()
    print(it, loss)
    
    # Backward pass
    # compute the gradient
    grad_y_pred = 2.0 * (y_pred - y)
    grad_w2 = h_relu.t().mm(grad_y_pred)
    grad_h_relu = grad_y_pred.mm(w2.t())
    grad_h = grad_h_relu.clone()
    grad_h[h<0] = 0
    grad_w1 = x.t().mm(grad_h)
    
    # update weights of w1 and w2
    w1 -= learning_rate * grad_w1
    w2 -= learning_rate * grad_w2

3.PyTorch: Tensor和autograd

PyTorch的一个重要功能就是autograd，也就是说只要定义了forward pass(前向神经网络)，计算了loss之后，PyTorch可以自动求导计算模型所有参数的梯度。

一个PyTorch的Tensor表示计算图中的一个节点。如果x是一个Tensor并且x.requires_grad=True那么x.grad是另一个储存着x当前梯度(相对于一个scalar，常常是loss)的向量。

N, D_in, H, D_out = 64, 1000, 100, 10

# 随机创建一些训练数据
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)

w1 = torch.randn(D_in, H, requires_grad=True)
w2 = torch.randn(H, D_out, requires_grad=True)

learning_rate = 1e-6
for it in range(500):
    # Forward pass
    y_pred = x.mm(w1).clamp(min=0).mm(w2)
    
    # compute loss
    loss = (y_pred - y).pow(2).sum() # computation graph
    print(it, loss.item())
    
    # Backward pass
    loss.backward()
    
    # update weights of w1 and w2
    with torch.no_grad():
        w1 -= learning_rate * w1.grad
        w2 -= learning_rate * w2.grad
        w1.grad.zero_()
        w2.grad.zero_()

4.PyTorch: nn

这次我们使用PyTorch中nn这个库来构建网络。
用PyTorch autograd来构建计算图和计算gradients，
然后PyTorch会帮我们自动计算gradient。

import torch.nn as nn

N, D_in, H, D_out = 64, 1000, 100, 10

# 随机创建一些训练数据
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)

model = torch.nn.Sequential(
    torch.nn.Linear(D_in, H, bias=False), # w_1 * x + b_1
    torch.nn.ReLU(),
    torch.nn.Linear(H, D_out, bias=False),
)

torch.nn.init.normal_(model[0].weight)
torch.nn.init.normal_(model[2].weight)

# model = model.cuda()

loss_fn = nn.MSELoss(reduction='sum')

learning_rate = 1e-6
for it in range(500):
    # Forward pass
    y_pred = model(x) # model.forward() 
    
    # compute loss
    loss = loss_fn(y_pred, y) # computation graph
    print(it, loss.item())
    
    # Backward pass
    loss.backward()
    
    # update weights of w1 and w2
    with torch.no_grad():
        for param in model.parameters(): # param (tensor, grad)
            param -= learning_rate * param.grad
            
    model.zero_grad()

5.PyTorch: optim

这一次我们不再手动更新模型的weights,而是使用optim这个包来帮助我们更新参数。
optim这个package提供了各种不同的模型优化方法，包括SGD+momentum, RMSProp, Adam等等。

import torch.nn as nn

N, D_in, H, D_out = 64, 1000, 100, 10

# 随机创建一些训练数据
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)

model = torch.nn.Sequential(
    torch.nn.Linear(D_in, H, bias=False), # w_1 * x + b_1
    torch.nn.ReLU(),
    torch.nn.Linear(H, D_out, bias=False),
)

torch.nn.init.normal_(model[0].weight)
torch.nn.init.normal_(model[2].weight)

# model = model.cuda()

loss_fn = nn.MSELoss(reduction='sum')
# learning_rate = 1e-4
# optimizer = torch.optim.Adam(model.parameters(), lr=learning_rate)

learning_rate = 1e-6
optimizer = torch.optim.SGD(model.parameters(), lr=learning_rate)

for it in range(500):
    # Forward pass
    y_pred = model(x) # model.forward() 
    
    # compute loss
    loss = loss_fn(y_pred, y) # computation graph
    print(it, loss.item())

    optimizer.zero_grad()
    # Backward pass
    loss.backward()
    
    # update model parameters
    optimizer.step()

6.PyTorch: 自定义 nn Modules

我们可以定义一个模型，这个模型继承自nn.Module类。如果需要定义一个比Sequential模型更加复杂的模型，就需要定义nn.Module模型。

import torch.nn as nn

N, D_in, H, D_out = 64, 1000, 100, 10

# 随机创建一些训练数据
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)

class TwoLayerNet(torch.nn.Module):
    def __init__(self, D_in, H, D_out):
        super(TwoLayerNet, self).__init__()
        # define the model architecture
        self.linear1 = torch.nn.Linear(D_in, H, bias=False)
        self.linear2 = torch.nn.Linear(H, D_out, bias=False)
    
    def forward(self, x):
        y_pred = self.linear2(self.linear1(x).clamp(min=0))
        return y_pred

model = TwoLayerNet(D_in, H, D_out)
loss_fn = nn.MSELoss(reduction='sum')
learning_rate = 1e-4
optimizer = torch.optim.Adam(model.parameters(), lr=learning_rate)

for it in range(500):
    # Forward pass
    y_pred = model(x) # model.forward() 
    
    # compute loss
    loss = loss_fn(y_pred, y) # computation graph
    print(it, loss.item())

    optimizer.zero_grad()
    # Backward pass
    loss.backward()
    
    # update model parameters
    optimizer.step()