title: pytorch代码编写入门
date: 2020-11-29 10:05:25
categories:
- 机器学习
tags:
- pytorch
- tutorial
翻译自pytorch官方网站的Learning PyTorch with Examples。本文将展示使用pytorch实现神经网络训练的代码含义，包括搭建网络、自动求导、反向传播
tensor
warm-up: numpy
在使用pytorch之前，先使用numpy实现神经网络（一个隐藏层的全连接网络）。
可以看清楚神经网络究竟做了什么。
# -*- coding: utf-8 -*-
import numpy as np
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random input and output data
x = np.random.randn(N, D_in)
y = np.random.randn(N, D_out)
# Randomly initialize weights
w1 = np.random.randn(D_in, H)
w2 = np.random.randn(H, D_out)
learning_rate = 1e-6
for t in range(500):
# Forward pass: compute predicted y
h = x.dot(w1)
h_relu = np.maximum(h, 0)
y_pred = h_relu.dot(w2)
# Compute and print loss
loss = np.square(y_pred - y).sum()
print(t, loss)
# Backprop to compute gradients of w1 and w2 with respect to loss
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
w1 -= learning_rate * grad_w1
w2 -= learning_rate * grad_w2
使用x为输入数据，y为x的输出目标（或者说标签，理想答案）。w1和w2为神经网络中的权重weight。
每次for循环为一次训练的迭代过程。
正向传播forward：h_relu实现了对隐藏层h使用relu激活函数。通过正向传播过程得到网络的输出y_pred，与标签y比较得到损失函数loss。
反向传播backward：从loss开始反向计算梯度，即以此计算loss对y_pred、w2、h_relu、h、w1的梯度，最终得到grad_w1和grad_w2，即loss分别对w1和w2的梯度。使用这个梯度更新w1和w2。
pytorch: tensors
改用pytorch的理由：使用gpu计算，大幅度提升计算速度（至少十倍）。并且pytorch为神经网络集成了许多函数可以调用。
第一步，引入tensor概念。翻译为张量，可以理解为向量、矩阵的更高维扩展。
下面使用tensor实现与上一个代码完全相同的功能
# -*- coding: utf-8 -*-
import torch
dtype = torch.float
device = torch.device("cpu")
# device = torch.device("cuda:0") # Uncomment this to run on GPU
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random input and output data
x = torch.randn(N, D_in, device=device, dtype=dtype)
y = torch.randn(N, D_out, device=device, dtype=dtype)
# Randomly initialize weights
w1 = torch.randn(D_in, H, device=device, dtype=dtype)
w2 = torch.randn(H, D_out, device=device, dtype=dtype)
learning_rate = 1e-6
for t in range(500):
# Forward pass: compute predicted y
h = x.mm(w1)
h_relu = h.clamp(min=0)
y_pred = h_relu.mm(w2)
# Compute and print loss
loss = (y_pred - y).pow(2).sum().item()
if t % 100 == 99:
print(t, loss)
# Backprop to compute gradients of w1 and w2 with respect to loss
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 using gradient descent
w1 -= learning_rate * grad_w1
w2 -= learning_rate * grad_w2
开头指定tensor的精度，计算设备（可选cpu或gpu）。
变化在于x，y，w1，w2不用numpy而改用tensor的格式。这样后续可以使用pytorch的函数。
Autograd
PyTorch: Tensors and autograd
使用pytorch的requires_grad=Ture和loss.backward()实现自动求导，代替手动计算导数。
区别在于，对于需要计算导数的变量（w1和w2）创建时设定requires_grad=True，之后对于由它们参与计算的变量（例如loss），可以使用loss.backward()函数求出loss对所有requires_grad=True的变量的梯度，保存在w1.grad和w2.grad中。具体理论为计算图和反向传播、链式法则，这里不多解释。
在迭代w1和w2后，即使用完w1.grad和w2.grad后，使用zero_函数清空梯度。
# -*- coding: utf-8 -*-
import torch
dtype = torch.float
device = torch.device("cpu")
# device = torch.device("cuda:0") # Uncomment this to run on GPU
# torch.backends.cuda.matmul.allow_tf32 = False # Uncomment this to run on GPU
# The above line disables TensorFloat32. This a feature that allows
# networks to run at a much faster speed while sacrificing precision.
# Although TensorFloat32 works well on most real models, for our toy model
# in this tutorial, the sacrificed precision causes convergence issue.
# For more information, see:
# https://pytorch.org/docs/stable/notes/cuda.html#tensorfloat-32-tf32-on-ampere-devices
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random Tensors to hold input and outputs.
# Setting requires_grad=False indicates that we do not need to compute gradients
# with respect to these Tensors during the backward pass.
x = torch.randn(N, D_in, device=device, dtype=dtype)
y = torch.randn(N, D_out, device=device, dtype=dtype)
# Create random Tensors for weights.
# Setting requires_grad=True indicates that we want to compute gradients with
# respect to these Tensors during the backward pass.
w1 = torch.randn(D_in, H, device=device, dtype=dtype, requires_grad=True)
w2 = torch.randn(H, D_out, device=device, dtype=dtype, requires_grad=True)
learning_rate = 1e-6
for t in range(500):
# Forward pass: compute predicted y using operations on Tensors; these
# are exactly the same operations we used to compute the forward pass using
# Tensors, but we do not need to keep references to intermediate values since
# we are not implementing the backward pass by hand.
y_pred = x.mm(w1).clamp(min=0).mm(w2)
# Compute and print loss using operations on Tensors.
# Now loss is a Tensor of shape (1,)
# loss.item() gets the scalar value held in the loss.
loss = (y_pred - y).pow(2).sum()
if t % 100 == 99:
print(t, loss.item())
# Use autograd to compute the backward pass. This call will compute the
# gradient of loss with respect to all Tensors with requires_grad=True.
# After this call w1.grad and w2.grad will be Tensors holding the gradient
# of the loss with respect to w1 and w2 respectively.
loss.backward()
# Manually update weights using gradient descent. Wrap in torch.no_grad()
# because weights have requires_grad=True, but we don't need to track this
# in autograd.
# An alternative way is to operate on weight.data and weight.grad.data.
# Recall that tensor.data gives a tensor that shares the storage with
# tensor, but doesn't track history.
# You can also use torch.optim.SGD to achieve this.
with torch.no_grad():
w1 -= learning_rate * w1.grad
w2 -= learning_rate * w2.grad
# Manually zero the gradients after updating weights
w1.grad.zero_()
w2.grad.zero_()
PyTorch: Defining new autograd functions
backward其实就是在已知每个小计算步骤（例如线性组合和简单的激活函数）的导数以及计算图，使用链式法则计算出最终的导数。所以如果想在计算过程中加入自定义函数，必须定义自定义函数的导数，才能使用backward。
下面使用自定义的类实现relu激活函数，需要包括forward函数和backward函数。
# -*- coding: utf-8 -*-
import torch
class MyReLU(torch.autograd.Function):
"""
We can implement our own custom autograd Functions by subclassing
torch.autograd.Function and implementing the forward and backward passes
which operate on Tensors.
"""
@staticmethod
def forward(ctx, input):
"""
In the forward pass we receive a Tensor containing the input and return
a Tensor containing the output. ctx is a context object that can be used
to stash information for backward computation. You can cache arbitrary
objects for use in the backward pass using the ctx.save_for_backward method.
"""
ctx.save_for_backward(input)
return input.clamp(min=0)
@staticmethod
def backward(ctx, grad_output):
"""
In the backward pass we receive a Tensor containing the gradient of the loss
with respect to the output, and we need to compute the gradient of the loss
with respect to the input.
"""
input, = ctx.saved_tensors
grad_input = grad_output.clone()
grad_input[input < 0] = 0
return grad_input
dtype = torch.float
device = torch.device("cpu")
# device = torch.device("cuda:0") # Uncomment this to run on GPU
# torch.backends.cuda.matmul.allow_tf32 = False # Uncomment this to run on GPU
# The above line disables TensorFloat32. This a feature that allows
# networks to run at a much faster speed while sacrificing precision.
# Although TensorFloat32 works well on most real models, for our toy model
# in this tutorial, the sacrificed precision causes convergence issue.
# For more information, see:
# https://pytorch.org/docs/stable/notes/cuda.html#tensorfloat-32-tf32-on-ampere-devices
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random Tensors to hold input and outputs.
x = torch.randn(N, D_in, device=device, dtype=dtype)
y = torch.randn(N, D_out, device=device, dtype=dtype)
# Create random Tensors for weights.
w1 = torch.randn(D_in, H, device=device, dtype=dtype, requires_grad=True)
w2 = torch.randn(H, D_out, device=device, dtype=dtype, requires_grad=True)
learning_rate = 1e-6
for t in range(500):
# To apply our Function, we use Function.apply method. We alias this as 'relu'.
relu = MyReLU.apply
# Forward pass: compute predicted y using operations; we compute
# ReLU using our custom autograd operation.
y_pred = relu(x.mm(w1)).mm(w2)
# Compute and print loss
loss = (y_pred - y).pow(2).sum()
if t % 100 == 99:
print(t, loss.item())
# Use autograd to compute the backward pass.
loss.backward()
# Update weights using gradient descent
with torch.no_grad():
w1 -= learning_rate * w1.grad
w2 -= learning_rate * w2.grad
# Manually zero the gradients after updating weights
w1.grad.zero_()
w2.grad.zero_()
nn module
虽然pytorch的核心功能是自动求导，但是为了方便使用神经网络，pytorch中也有许多集成的神经网络函数。例如各种类型的层、优化器等等。
PyTorch: nn
使用torch.nn库中的Linear、ReLU、MSELoss直接实现了全连接层、relu激活函数和mse损失函数。
# -*- coding: utf-8 -*-
import torch
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random Tensors to hold inputs and outputs
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)
# Use the nn package to define our model as a sequence of layers. nn.Sequential
# is a Module which contains other Modules, and applies them in sequence to
# produce its output. Each Linear Module computes output from input using a
# linear function, and holds internal Tensors for its weight and bias.
model = torch.nn.Sequential(
torch.nn.Linear(D_in, H),
torch.nn.ReLU(),
torch.nn.Linear(H, D_out),
)
# The nn package also contains definitions of popular loss functions; in this
# case we will use Mean Squared Error (MSE) as our loss function.
loss_fn = torch.nn.MSELoss(reduction='sum')
learning_rate = 1e-4
for t in range(500):
# Forward pass: compute predicted y by passing x to the model. Module objects
# override the __call__ operator so you can call them like functions. When
# doing so you pass a Tensor of input data to the Module and it produces
# a Tensor of output data.
y_pred = model(x)
# Compute and print loss. We pass Tensors containing the predicted and true
# values of y, and the loss function returns a Tensor containing the
# loss.
loss = loss_fn(y_pred, y)
if t % 100 == 99:
print(t, loss.item())
# Zero the gradients before running the backward pass.
model.zero_grad()
# Backward pass: compute gradient of the loss with respect to all the learnable
# parameters of the model. Internally, the parameters of each Module are stored
# in Tensors with requires_grad=True, so this call will compute gradients for
# all learnable parameters in the model.
loss.backward()
# Update the weights using gradient descent. Each parameter is a Tensor, so
# we can access its gradients like we did before.
with torch.no_grad():
for param in model.parameters():
param -= learning_rate * param.grad
PyTorch: optim
使用torch.optim库中的Adam方法作为优化器，或者说迭代器。
# -*- coding: utf-8 -*-
import torch
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random Tensors to hold inputs and outputs
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)
# Use the nn package to define our model and loss function.
model = torch.nn.Sequential(
torch.nn.Linear(D_in, H),
torch.nn.ReLU(),
torch.nn.Linear(H, D_out),
)
loss_fn = torch.nn.MSELoss(reduction='sum')
# Use the optim package to define an Optimizer that will update the weights of
# the model for us. Here we will use Adam; the optim package contains many other
# optimization algorithms. The first argument to the Adam constructor tells the
# optimizer which Tensors it should update.
learning_rate = 1e-4
optimizer = torch.optim.Adam(model.parameters(), lr=learning_rate)
for t in range(500):
# Forward pass: compute predicted y by passing x to the model.
y_pred = model(x)
# Compute and print loss.
loss = loss_fn(y_pred, y)
if t % 100 == 99:
print(t, loss.item())
# Before the backward pass, use the optimizer object to zero all of the
# gradients for the variables it will update (which are the learnable
# weights of the model). This is because by default, gradients are
# accumulated in buffers( i.e, not overwritten) whenever .backward()
# is called. Checkout docs of torch.autograd.backward for more details.
optimizer.zero_grad()
# Backward pass: compute gradient of the loss with respect to model
# parameters
loss.backward()
# Calling the step function on an Optimizer makes an update to its
# parameters
optimizer.step()
PyTorch: Custom nn Modules
除了使用继承的方法，还可以按照指定的格式自定义网络结构，当然也可以自定义层、优化器、损失函数等。例如不适用sequential函数而是自定义网络结构
# -*- coding: utf-8 -*-
import torch
class TwoLayerNet(torch.nn.Module):
def __init__(self, D_in, H, D_out):
"""
In the constructor we instantiate two nn.Linear modules and assign them as
member variables.
"""
super(TwoLayerNet, self).__init__()
self.linear1 = torch.nn.Linear(D_in, H)
self.linear2 = torch.nn.Linear(H, D_out)
def forward(self, x):
"""
In the forward function we accept a Tensor of input data and we must return
a Tensor of output data. We can use Modules defined in the constructor as
well as arbitrary operators on Tensors.
"""
h_relu = self.linear1(x).clamp(min=0)
y_pred = self.linear2(h_relu)
return y_pred
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random Tensors to hold inputs and outputs
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)
# Construct our model by instantiating the class defined above
model = TwoLayerNet(D_in, H, D_out)
# Construct our loss function and an Optimizer. The call to model.parameters()
# in the SGD constructor will contain the learnable parameters of the two
# nn.Linear modules which are members of the model.
criterion = torch.nn.MSELoss(reduction='sum')
optimizer = torch.optim.SGD(model.parameters(), lr=1e-4)
for t in range(500):
# Forward pass: Compute predicted y by passing x to the model
y_pred = model(x)
# Compute and print loss
loss = criterion(y_pred, y)
if t % 100 == 99:
print(t, loss.item())
# Zero gradients, perform a backward pass, and update the weights.
optimizer.zero_grad()
loss.backward()
optimizer.step()
PyTorch: Control Flow + Weight Sharing
下面的代码展示了更多进阶技巧，比如设定动态的网络结构、共享权重等。体现出pytorch灵活的特点，熟练掌握后可以自如的调整计算方法。
# -*- coding: utf-8 -*-
import random
import torch
class DynamicNet(torch.nn.Module):
def __init__(self, D_in, H, D_out):
"""
In the constructor we construct three nn.Linear instances that we will use
in the forward pass.
"""
super(DynamicNet, self).__init__()
self.input_linear = torch.nn.Linear(D_in, H)
self.middle_linear = torch.nn.Linear(H, H)
self.output_linear = torch.nn.Linear(H, D_out)
def forward(self, x):
"""
For the forward pass of the model, we randomly choose either 0, 1, 2, or 3
and reuse the middle_linear Module that many times to compute hidden layer
representations.
Since each forward pass builds a dynamic computation graph, we can use normal
Python control-flow operators like loops or conditional statements when
defining the forward pass of the model.
Here we also see that it is perfectly safe to reuse the same Module many
times when defining a computational graph. This is a big improvement from Lua
Torch, where each Module could be used only once.
"""
h_relu = self.input_linear(x).clamp(min=0)
for _ in range(random.randint(0, 3)):
h_relu = self.middle_linear(h_relu).clamp(min=0)
y_pred = self.output_linear(h_relu)
return y_pred
# N is batch size; D_in is input dimension;
# H is hidden dimension; D_out is output dimension.
N, D_in, H, D_out = 64, 1000, 100, 10
# Create random Tensors to hold inputs and outputs
x = torch.randn(N, D_in)
y = torch.randn(N, D_out)
# Construct our model by instantiating the class defined above
model = DynamicNet(D_in, H, D_out)
# Construct our loss function and an Optimizer. Training this strange model with
# vanilla stochastic gradient descent is tough, so we use momentum
criterion = torch.nn.MSELoss(reduction='sum')
optimizer = torch.optim.SGD(model.parameters(), lr=1e-4, momentum=0.9)
for t in range(500):
# Forward pass: Compute predicted y by passing x to the model
y_pred = model(x)
# Compute and print loss
loss = criterion(y_pred, y)
if t % 100 == 99:
print(t, loss.item())
# Zero gradients, perform a backward pass, and update the weights.
optimizer.zero_grad()
loss.backward()
optimizer.step()
全文完。