目录
实验大体步骤:
除了批大小对模型收敛速度的影响外,学习率和梯度估计也是影响神经网络优化的重要因素。神经网络优化中常用的优化方法也主要是如下两方面的改进,包括:
- 学习率调整:主要通过自适应地调整学习率使得优化更稳定。这类算法主要有AdaGrad、RMSprop、AdaDelta算法等。
- 梯度估计修正:主要通过修正每次迭代时估计的梯度方向来加快收敛速度。这类算法主要有动量法、Nesterov加速梯度方法等。
除上述方法外,本节还会介绍综合学习率调整和梯度估计修正的优化算法,如Adam算法。
一、优化算法的实验设定
为了更好地对比不同的优化算法,我们准备两个实验:第一个是2D可视化实验。第二个是简单拟合实验。
1.1 2D可视化实验(被优化函数为
)
将被优化函数实现为OptimizedFunction算子,其forward方法是Sphere函数的前向计算,backward方法则计算被优化函数对x的偏导。
# =====将被优化函数实现为OptimizedFunction算子====================================================
class OptimizedFunction(Op):
def __init__(self, w):
super(OptimizedFunction, self).__init__()
self.w = torch.as_tensor(w, dtype=torch.float32)
self.params = {'x': torch.as_tensor(0, dtype=torch.float32)}
self.grads = {'x': torch.as_tensor(0, dtype=torch.float32)}
def forward(self, x):
self.params['x'] = x
return torch.matmul(self.w.T, torch.square(self.params['x']))
def backward(self):
self.grads['x'] = 2 * torch.multiply(self.w.T, self.params['x'])
nndl.op.Op如下:
class Op(object):
def __init__(self):
pass
def __call__(self, inputs):
return self.forward(torch.as_tensor(inputs,dtype=torch.float32))
def forward(self, inputs):
raise NotImplementedError
def backward(self, inputs):
raise NotImplementedError
训练函数 定义一个简易的训练函数,记录梯度下降过程中每轮的参数x和损失。代码实现如下:
# =====训练函数 定义一个简易的训练函数,记录梯度下降过程中每轮的参数x和损失==============================================================
def train_f(model, optimizer, x_init, epoch):
x = x_init
all_x = []
losses = []
for i in range(epoch):
all_x.append(copy.copy(x.numpy()))
loss = model(x)
losses.append(loss)
model.backward()
optimizer.step()
x = model.params['x']
return torch.as_tensor(all_x), losses
可视化函数 定义一个Visualization类,用于绘制x的更新轨迹。代码如下:
# =======可视化函数===============================================
import numpy as np
import matplotlib.pyplot as plt
class Visualization(object):
def __init__(self):
x1 = np.arange(-5, 5, 0.1)
x2 = np.arange(-5, 5, 0.1)
x1, x2 = np.meshgrid(x1, x2)
self.init_x = torch.as_tensor([x1, x2])
def plot_2d(self, model, x, fig_name):
fig, ax = plt.subplots(figsize=(10, 6))
cp = ax.contourf(self.init_x[0], self.init_x[1], model(self.init_x.transpose(1, 0)),
colors=['#e4007f', '#f19ec2', '#e86096', '#eb7aaa', '#f6c8dc', '#f5f5f5', '#000000'])
c = ax.contour(self.init_x[0], self.init_x[1], model(self.init_x.transpose(1, 0)), colors='black')
cbar = fig.colorbar(cp)
ax.plot(x[:, 0], x[:, 1], '-o', color='#000000')
ax.plot(0, 'r*', markersize=18, color='#fefefe')
ax.set_xlabel('$x1$')
ax.set_ylabel('$x2$')
ax.set_xlim((-2, 5))
ax.set_ylim((-2, 5))
plt.savefig(fig_name)
定义train_and_plot_f函数,调用train_f和Visualization,训练模型并可视化参数更新轨迹。
# =====调用train_f和Visualization,训练模型并可视化参数更新轨迹======================================
def train_and_plot_f(model, optimizer, epoch, fig_name):
x_init = torch.as_tensor([3, 4], dtype=torch.float32)
print('x1 initiate: {}, x2 initiate: {}'.format(x_init[0].numpy(), x_init[1].numpy()))
x, losses = train_f(model, optimizer, x_init, epoch)
losses = np.array(losses)
# 展示x1、x2的更新轨迹
vis = Visualization()
vis.plot_2d(model, x, fig_name)
模型训练与可视化:
from nndl.op import SimpleBatchGD
# 固定随机种子
torch.seed()
w = torch.as_tensor([0.2, 2])
model = OptimizedFunction(w)
opt = SimpleBatchGD(init_lr=0.2, model=model)
# train_and_plot_f(model, opt, epoch=20, fig_name='opti-vis-para.pdf')
nndl.op.SimpleBatchGD和Optimizer如下:
class SimpleBatchGD(Optimizer):
def __init__(self, init_lr, model):
super(SimpleBatchGD, self).__init__(init_lr=init_lr, model=model)
def step(self):
#参数更新
if isinstance(self.model.params, dict):
for key in self.model.params.keys():
self.model.params[key] = self.model.params[key] - self.init_lr * self.model.grads[key]
# 优化器基类
class Optimizer(object):
def __init__(self, init_lr, model):
self.init_lr = init_lr
#指定优化器需要优化的模型
self.model = model
@abstractmethod
def step(self):
pass
运行结果:(SGD优化器)
1.2 简单拟合实验
数据集构建
# 固定随机种子
torch.seed()
# 随机生成shape为(1000,2)的训练数据
X = torch.randn([1000, 2])
w = torch.as_tensor([0.5, 0.8])
w = torch.unsqueeze(w, dim=1)
noise = 0.01 * torch.rand([1000])
noise = torch.unsqueeze(noise, dim=1)
# 计算y
y = torch.matmul(X, w) + noise
# 打印X, y样本
print('X: ', X[0].numpy())
print('y: ', y[0].numpy())
# X,y组成训练样本数据
data = torch.concat((X, y), dim=1)
print('input data shape: ', data.shape)
print('data: ', data[0].numpy())
定义Linear算子,实现一个线性层的前向和反向计算。代码实现如下:
class Linear(Op):
def __init__(self, input_size, weight_init=np.random.standard_normal, bias_init=torch.zeros):
self.params = {}
self.params['W'] = weight_init([input_size, 1])
self.params['W'] = torch.as_tensor(self.params['W'],dtype=torch.float32)
self.params['b'] = bias_init([1])
self.inputs = None
self.grads = {}
def forward(self, inputs):
self.inputs = inputs
self.outputs = torch.matmul(self.inputs, self.params['W']) + self.params['b']
return self.outputs
def backward(self, labels):
K = self.inputs.shape[0]
self.grads['W'] = 1./ K*torch.matmul(self.inputs.T, (self.outputs - labels))
self.grads['b'] = 1./K* torch.sum(self.outputs-labels, dim=0)
模型训练train函数的代码实现如下:
def train(data, num_epochs, batch_size, model, calculate_loss, optimizer, verbose=False):
# 记录每个回合损失的变化
epoch_loss = []
# 记录每次迭代损失的变化
iter_loss = []
N = len(data)
for epoch_id in range(num_epochs):
# np.random.shuffle(data) #不再随机打乱数据
# 将训练数据进行拆分,每个mini_batch包含batch_size条的数据
mini_batches = [data[i:i+batch_size] for i in range(0, N, batch_size)]
for iter_id, mini_batch in enumerate(mini_batches):
# data中前两个分量为X
inputs = mini_batch[:, :-1]
# data中最后一个分量为y
labels = mini_batch[:, -1:]
# 前向计算
outputs = model(inputs)
# 计算损失
loss = calculate_loss(outputs, labels).numpy()
# 计算梯度
model.backward(labels)
# 梯度更新
optimizer.step()
iter_loss.append(loss)
# verbose = True 则打印当前回合的损失
if verbose:
print('Epoch {:3d}, loss = {:.4f}'.format(epoch_id, np.mean(iter_loss)))
epoch_loss.append(np.mean(iter_loss))
return iter_loss, epoch_loss
优化过程可视化 定义plot_loss函数,用于绘制损失函数变化趋势。代码实现如下:
def plot_loss(iter_loss, epoch_loss, fig_name):
"""
可视化损失函数的变化趋势
"""
plt.figure(figsize=(10, 4))
ax1 = plt.subplot(121)
ax1.plot(iter_loss, color='#e4007f')
plt.title('iteration loss')
ax2 = plt.subplot(122)
ax2.plot(epoch_loss, color='#f19ec2')
plt.title('epoch loss')
plt.savefig(fig_name)
plt.show()
对于使用不同优化器的模型训练,保存每一个回合损失的更新情况,并绘制出损失函数的变化趋势,以此验证模型是否收敛。定义train_and_plot函数,调用train和plot_loss函数,训练并展示每个回合和每次迭代(Iteration)的损失变化情况。在模型训练时,使用torch.nn.MSELoss()计算均方误差。代码实现如下:
import torch.nn as nn
def train_and_plot(optimizer, fig_name):
"""
训练网络并画出损失函数的变化趋势
输入:
- optimizer:优化器
"""
# 定义均方差损失
mse = nn.MSELoss()
iter_loss, epoch_loss = train(data, num_epochs=30, batch_size=64, model=model, calculate_loss=mse, optimizer=optimizer)
plot_loss(iter_loss, epoch_loss, fig_name)
训练网络并可视化损失函数的变化趋势。代码实现如下:
# 固定随机种子
torch.seed()
# 定义网络结构
model = Linear(2)
# 定义优化器
opt = SimpleBatchGD(init_lr=0.01, model=model)
train_and_plot(opt, 'opti-loss.pdf')
运行结果:
二、学习率调整
2.1 AdaGrad算法
构建优化器 定义Adagrad类,继承Optimizer类。定义step函数调用adagrad进行参数更新。代码实现如下:
class Adagrad(Optimizer):
def __init__(self, init_lr, model, epsilon):
super(Adagrad, self).__init__(init_lr=init_lr, model=model)
self.G = {}
for key in self.model.params.keys():
self.G[key] = 0
self.epsilon = epsilon
def adagrad(self, x, gradient_x, G, init_lr):
G += gradient_x ** 2
x -= init_lr / torch.sqrt(G + self.epsilon) * gradient_x
return x, G
def step(self):
for key in self.model.params.keys():
self.model.params[key], self.G[key] = self.adagrad(self.model.params[key],
self.model.grads[key],
self.G[key],
self.init_lr)
2D可视化实验 使用被优化函数展示Adagrad算法的参数更新轨迹。代码实现如下:
# 固定随机种子
torch.seed()
w = torch.as_tensor([0.2, 2])
model2 = OptimizedFunction(w)
opt2 = Adagrad(init_lr=0.5, model=model2, epsilon=1e-7)
train_and_plot_f(model2, opt2, epoch=50, fig_name='opti-vis-para2.pdf')
简单拟合实验 训练单层线性网络,验证损失是否收敛。代码实现如下:
# 固定随机种子
torch.seed()
# 定义网络结构
model = Linear(2)
# 定义优化器
opt = Adagrad(init_lr=0.1, model=model, epsilon=1e-7)
train_and_plot(opt, 'opti-loss2.pdf')
运行结果:
2.2 RMSprop算法
构建优化器 定义RMSprop类,继承Optimizer类。定义step函数调用rmsprop更新参数。代码实现如下:
class RMSprop(Optimizer):
def __init__(self, init_lr, model, beta, epsilon):
super(RMSprop, self).__init__(init_lr=init_lr, model=model)
self.G = {}
for key in self.model.params.keys():
self.G[key] = 0
self.beta = beta
self.epsilon = epsilon
def rmsprop(self, x, gradient_x, G, init_lr):
"""
rmsprop算法更新参数,G为迭代梯度平方的加权移动平均
"""
G = self.beta * G + (1 - self.beta) * gradient_x ** 2
x -= init_lr / torch.sqrt(G + self.epsilon) * gradient_x
return x, G
def step(self):
"""参数更新"""
for key in self.model.params.keys():
self.model.params[key], self.G[key] = self.rmsprop(self.model.params[key],
self.model.grads[key],
self.G[key],
self.init_lr)
2D可视化实验 使用被优化函数展示RMSprop算法的参数更新轨迹。代码实现如下:
torch.seed()
w = torch.as_tensor([0.2, 2])
model3 = OptimizedFunction(w)
opt3 = RMSprop(init_lr=0.1, model=model3, beta=0.9, epsilon=1e-7)
train_and_plot_f(model3, opt3, epoch=50, fig_name='opti-vis-para3.pdf')
简单拟合实验 训练单层线性网络,进行简单的拟合实验。代码实现如下:
# 固定随机种子
torch.seed()
# 定义网络结构
model = Linear(2)
# 定义优化器
opt3 = RMSprop(init_lr=0.1, model=model, beta=0.9, epsilon=1e-7)
train_and_plot(opt3, 'opti-loss3.pdf')
运行结果:
三、梯度修正估计
除了调整学习率之外,还可以进行梯度估计修正。在小批量梯度下降法中,由于每次迭代的样本具有一定的随机性,因此每次迭代的梯度估计和整个训练集上的最优梯度并不一致。如果每次选取样本数量比较小,损失会呈振荡的方式下降。
一种有效地缓解梯度估计随机性的方式是通过使用最近一段时间内的平均梯度来代替当前时刻的随机梯度来作为参数更新的方向,从而提高优化速度。
3.1 动量法
构建优化器 定义Momentum类,继承Optimizer类。定义step函数调用momentum进行参数更新。代码实现如下:
class Momentum(Optimizer):
def __init__(self, init_lr, model, rho):
super(Momentum, self).__init__(init_lr=init_lr, model=model)
self.delta_x = {}
for key in self.model.params.keys():
self.delta_x[key] = 0
self.rho = rho
def momentum(self, x, gradient_x, delta_x, init_lr):
"""
momentum算法更新参数,delta_x为梯度的加权移动平均
"""
delta_x = self.rho * delta_x - init_lr * gradient_x
x += delta_x
return x, delta_x
def step(self):
"""参数更新"""
for key in self.model.params.keys():
self.model.params[key], self.delta_x[key] = self.momentum(self.model.params[key],
self.model.grads[key],
self.delta_x[key],
self.init_lr)
2D可视化实验 使用被优化函数展示Momentum算法的参数更新轨迹。
# 固定随机种子
torch.seed()
w = torch.as_tensor([0.2, 2])
model4 = OptimizedFunction(w)
opt4 = Momentum(init_lr=0.01, model=model4, rho=0.9)
train_and_plot_f(model4, opt4, epoch=50, fig_name='opti-vis-para4.pdf')
简单拟合实验 训练单层线性网络,进行简单的拟合实验。代码实现如下:
# 固定随机种子
torch.seed()
# 定义网络结构
model = Linear(2)
# 定义优化器
opt = Momentum(init_lr=0.01, model=model, rho=0.9)
train_and_plot(opt, 'opti-loss4.pdf')
运行结果:
3.2 Adam算法
Adam算法(自适应矩估计算法)可以看作动量法和RMSprop算法的结合,不但使用动量作为参数更新方向,而且可以自适应调整学习率。代码如下:
class Adam(Optimizer):
def __init__(self, init_lr, model, beta1, beta2, epsilon):
super(Adam, self).__init__(init_lr=init_lr, model=model)
self.beta1 = beta1
self.beta2 = beta2
self.epsilon = epsilon
self.M, self.G = {}, {}
for key in self.model.params.keys():
self.M[key] = 0
self.G[key] = 0
self.t = 1
def adam(self, x, gradient_x, G, M, t, init_lr):
M = self.beta1 * M + (1 - self.beta1) * gradient_x
G = self.beta2 * G + (1 - self.beta2) * gradient_x ** 2
M_hat = M / (1 - self.beta1 ** t)
G_hat = G / (1 - self.beta2 ** t)
t += 1
x -= init_lr / torch.sqrt(G_hat + self.epsilon) * M_hat
return x, G, M, t
def step(self):
"""参数更新"""
for key in self.model.params.keys():
self.model.params[key], self.G[key], self.M[key], self.t = self.adam(self.model.params[key],
self.model.grads[key],
self.G[key],
self.M[key],
self.t,
self.init_lr)
2D可视化实验 使用被优化函数展示Adam算法的参数更新轨迹。代码实现如下:
# 固定随机种子
torch.seed()
w = torch.as_tensor([0.2, 2])
model5 = OptimizedFunction(w)
opt5 = Adam(init_lr=0.2, model=model5, beta1=0.9, beta2=0.99, epsilon=1e-7)
train_and_plot_f(model5, opt5, epoch=20, fig_name='opti-vis-para5.pdf')
简单拟合实验 训练单层线性网络,进行简单的拟合实验。代码实现如下:
# 固定随机种子
torch.seed()
# 定义网络结构
model = Linear(2)
# 定义优化器
opt5 = Adam(init_lr=0.1, model=model5, beta1=0.9, beta2=0.99, epsilon=1e-7)
train_and_plot(opt5, 'opti-loss5.pdf')
运行结果:
我将书上的代码中epoch调到了70,发现此算法到达星点并不是简单的一个直线,有点像螺旋线一样。所以但从此实验的路径上看,Adam算法并没有AdaGrad算法好。
四、被优化函数变为
的2D可视化
代码如下:
# coding: utf-8
import numpy as np
import matplotlib.pyplot as plt
from collections import OrderedDict
class SGD:
"""随机梯度下降法(Stochastic Gradient Descent)"""
def __init__(self, lr=0.01):
self.lr = lr
def update(self, params, grads):
for key in params.keys():
params[key] -= self.lr * grads[key]
class Momentum:
"""Momentum SGD"""
def __init__(self, lr=0.01, momentum=0.9):
self.lr = lr
self.momentum = momentum
self.v = None
def update(self, params, grads):
if self.v is None:
self.v = {}
for key, val in params.items():
self.v[key] = np.zeros_like(val)
for key in params.keys():
self.v[key] = self.momentum * self.v[key] - self.lr * grads[key]
params[key] += self.v[key]
class Nesterov:
"""Nesterov's Accelerated Gradient (http://arxiv.org/abs/1212.0901)"""
def __init__(self, lr=0.01, momentum=0.9):
self.lr = lr
self.momentum = momentum
self.v = None
def update(self, params, grads):
if self.v is None:
self.v = {}
for key, val in params.items():
self.v[key] = np.zeros_like(val)
for key in params.keys():
self.v[key] *= self.momentum
self.v[key] -= self.lr * grads[key]
params[key] += self.momentum * self.momentum * self.v[key]
params[key] -= (1 + self.momentum) * self.lr * grads[key]
class AdaGrad:
"""AdaGrad"""
def __init__(self, lr=0.01):
self.lr = lr
self.h = None
def update(self, params, grads):
if self.h is None:
self.h = {}
for key, val in params.items():
self.h[key] = np.zeros_like(val)
for key in params.keys():
self.h[key] += grads[key] * grads[key]
params[key] -= self.lr * grads[key] / (np.sqrt(self.h[key]) + 1e-7)
class RMSprop:
"""RMSprop"""
def __init__(self, lr=0.01, decay_rate=0.99):
self.lr = lr
self.decay_rate = decay_rate
self.h = None
def update(self, params, grads):
if self.h is None:
self.h = {}
for key, val in params.items():
self.h[key] = np.zeros_like(val)
for key in params.keys():
self.h[key] *= self.decay_rate
self.h[key] += (1 - self.decay_rate) * grads[key] * grads[key]
params[key] -= self.lr * grads[key] / (np.sqrt(self.h[key]) + 1e-7)
class Adam:
"""Adam (http://arxiv.org/abs/1412.6980v8)"""
def __init__(self, lr=0.001, beta1=0.9, beta2=0.999):
self.lr = lr
self.beta1 = beta1
self.beta2 = beta2
self.iter = 0
self.m = None
self.v = None
def update(self, params, grads):
if self.m is None:
self.m, self.v = {}, {}
for key, val in params.items():
self.m[key] = np.zeros_like(val)
self.v[key] = np.zeros_like(val)
self.iter += 1
lr_t = self.lr * np.sqrt(1.0 - self.beta2 ** self.iter) / (1.0 - self.beta1 ** self.iter)
for key in params.keys():
self.m[key] += (1 - self.beta1) * (grads[key] - self.m[key])
self.v[key] += (1 - self.beta2) * (grads[key] ** 2 - self.v[key])
params[key] -= lr_t * self.m[key] / (np.sqrt(self.v[key]) + 1e-7)
def f(x, y):
return x ** 2 / 20.0 + y ** 2
def df(x, y):
return x / 10.0, 2.0 * y
init_pos = (-7.0, 2.0)
params = {}
params['x'], params['y'] = init_pos[0], init_pos[1]
grads = {}
grads['x'], grads['y'] = 0, 0
optimizers = OrderedDict()
optimizers["SGD"] = SGD(lr=0.95)
optimizers["Momentum"] = Momentum(lr=0.1)
optimizers["AdaGrad"] = AdaGrad(lr=1.5)
optimizers["Adam"] = Adam(lr=0.3)
idx = 1
for key in optimizers:
optimizer = optimizers[key]
x_history = []
y_history = []
params['x'], params['y'] = init_pos[0], init_pos[1]
for i in range(30):
x_history.append(params['x'])
y_history.append(params['y'])
grads['x'], grads['y'] = df(params['x'], params['y'])
optimizer.update(params, grads)
x = np.arange(-10, 10, 0.01)
y = np.arange(-5, 5, 0.01)
X, Y = np.meshgrid(x, y)
Z = f(X, Y)
# for simple contour line
mask = Z > 7
Z[mask] = 0
# plot
plt.subplot(2, 2, idx)
idx += 1
plt.plot(x_history, y_history, 'o-', color="red")
plt.contour(X, Y, Z) # 绘制等高线
plt.ylim(-10, 10)
plt.xlim(-10, 10)
plt.plot(0, 0, '+')
plt.title(key)
plt.xlabel("x")
plt.ylabel("y")
plt.subplots_adjust(wspace=0, hspace=0) # 调整子图间距
plt.show()
运行结果:
五、不同优化器的3D可视化对比
1.被优化函数为![f(x)={x[0]}^2+{x[1]}^2+{x[1]}^3+x[0]*x[1]](https://latex.csdn.net/eq?f%28x%29%3D%7Bx%5B0%5D%7D%5E2+%7Bx%5B1%5D%7D%5E2+%7Bx%5B1%5D%7D%5E3+x%5B0%5D*x%5B1%5D)
代码如下:
import torch
import numpy as np
import copy
from matplotlib import pyplot as plt
from matplotlib import animation
from itertools import zip_longest
class Op(object):
def __init__(self):
pass
def __call__(self, inputs):
return self.forward(inputs)
# 输入:张量inputs
# 输出:张量outputs
def forward(self, inputs):
# return outputs
raise NotImplementedError
# 输入:最终输出对outputs的梯度outputs_grads
# 输出:最终输出对inputs的梯度inputs_grads
def backward(self, outputs_grads):
# return inputs_grads
raise NotImplementedError
class Optimizer(object): # 优化器基类
def __init__(self, init_lr, model):
"""
优化器类初始化
"""
# 初始化学习率,用于参数更新的计算
self.init_lr = init_lr
# 指定优化器需要优化的模型
self.model = model
def step(self):
"""
定义每次迭代如何更新参数
"""
pass
class SimpleBatchGD(Optimizer):
def __init__(self, init_lr, model):
super(SimpleBatchGD, self).__init__(init_lr=init_lr, model=model)
def step(self):
# 参数更新
if isinstance(self.model.params, dict):
for key in self.model.params.keys():
self.model.params[key] = self.model.params[key] - self.init_lr * self.model.grads[key]
class Adagrad(Optimizer):
def __init__(self, init_lr, model, epsilon):
"""
Adagrad 优化器初始化
输入:
- init_lr: 初始学习率 - model:模型,model.params存储模型参数值 - epsilon:保持数值稳定性而设置的非常小的常数
"""
super(Adagrad, self).__init__(init_lr=init_lr, model=model)
self.G = {}
for key in self.model.params.keys():
self.G[key] = 0
self.epsilon = epsilon
def adagrad(self, x, gradient_x, G, init_lr):
"""
adagrad算法更新参数,G为参数梯度平方的累计值。
"""
G += gradient_x ** 2
x -= init_lr / torch.sqrt(G &