pytorch代碼編寫入門


title: pytorch代碼編寫入門
date: 2020-11-29 10:05:25

categories:

  • 機器學習

tags:

  • pytorch
  • tutorial

翻譯自pytorch官方網站的Learning PyTorch with Examples。本文將展示使用pytorch實現神經網絡訓練的代碼含義,包括搭建網絡、自動求導、反向傳播

tensor

warm-up: numpy

在使用pytorch之前,先使用numpy實現神經網絡(一個隱藏層的全連接網絡)。

可以看清楚神經網絡究竟做了什么。

# -*- 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為輸入數據,y為x的輸出目標(或者說標簽,理想答案)。w1和w2為神經網絡中的權重weight。

每次for循環為一次訓練的迭代過程。

正向傳播forward:h_relu實現了對隱藏層h使用relu激活函數。通過正向傳播過程得到網絡的輸出y_pred,與標簽y比較得到損失函數loss。

反向傳播backward:從loss開始反向計算梯度,即以此計算loss對y_pred、w2、h_relu、h、w1的梯度,最終得到grad_w1和grad_w2,即loss分別對w1和w2的梯度。使用這個梯度更新w1和w2。

pytorch: tensors

改用pytorch的理由:使用gpu計算,大幅度提升計算速度(至少十倍)。并且pytorch為神經網絡集成了許多函數可以調用。

第一步,引入tensor概念。翻譯為張量,可以理解為向量、矩陣的更高維擴展。

下面使用tensor實現與上一個代碼完全相同的功能

# -*- 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

開頭指定tensor的精度,計算設備(可選cpu或gpu)。

變化在于x,y,w1,w2不用numpy而改用tensor的格式。這樣后續可以使用pytorch的函數。

Autograd

PyTorch: Tensors and autograd

使用pytorch的requires_grad=Tureloss.backward()實現自動求導,代替手動計算導數。

區別在于,對于需要計算導數的變量(w1和w2)創建時設定requires_grad=True,之后對于由它們參與計算的變量(例如loss),可以使用loss.backward()函數求出loss對所有requires_grad=True的變量的梯度,保存在w1.grad和w2.grad中。具體理論為計算圖和反向傳播、鏈式法則,這里不多解釋。

在迭代w1和w2后,即使用完w1.grad和w2.grad后,使用zero_函數清空梯度。

# -*- 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其實就是在已知每個小計算步驟(例如線性組合和簡單的激活函數)的導數以及計算圖,使用鏈式法則計算出最終的導數。所以如果想在計算過程中加入自定義函數,必須定義自定義函數的導數,才能使用backward。

下面使用自定義的類實現relu激活函數,需要包括forward函數和backward函數。

# -*- 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

雖然pytorch的核心功能是自動求導,但是為了方便使用神經網絡,pytorch中也有許多集成的神經網絡函數。例如各種類型的層、優化器等等。

PyTorch: nn

使用torch.nn庫中的Linear、ReLU、MSELoss直接實現了全連接層、relu激活函數和mse損失函數。

# -*- 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庫中的Adam方法作為優化器,或者說迭代器。

# -*- 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

除了使用繼承的方法,還可以按照指定的格式自定義網絡結構,當然也可以自定義層、優化器、損失函數等。例如不適用sequential函數而是自定義網絡結構

# -*- 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

下面的代碼展示了更多進階技巧,比如設定動態的網絡結構、共享權重等。體現出pytorch靈活的特點,熟練掌握后可以自如的調整計算方法。

# -*- 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。

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