PyTorch Notes

PyTorch Fundamentals

Simple array manipulations/creations

import torch

# convert numpy array to pytorch array
torch.Tensor(numpy_tensor)
# or another way
torch.from_numpy(numpy_tensor)

# convert torch tensor to numpy representation
pytorch_tensor.numpy()

# create default arrays
torch.ones((2, 2))
torch.rand(2, 2)

Define manual seed

# CPU seed
torch.manual_seed(42)

# GPU seed
torch.cuda.manual_seed_all(42)

Move tensor from CPU to GPU and back

# move to GPU
cpu_tensor.cuda()

# move to CPU
gpu_tensor.cpu()

Tensor manipulations

a = torch.rand(2, 3)

# get the shape of tensor
a.size()

# reshape tensor to required shape
a.view(3, -1)

# simple addition
b = torch.ones((2, 3))
c = a + b
c = torch.add(a, b)

# in-place addition
a.add_(b)

# get the mean and std
a.mean(dim=0)
a.std(dim=1)

Variables and Gradients

Variable creation

import torch
from torch.autograd import Variable

# create variable
a = Variable(torch.ones((2, 3)), requires_grad=True)

# access variable tensor
a.data

# access variable gradient
a.grad

Compute gradient

x = Variable(torch.ones(2), requires_grad=True)
y = 5 * (x + 2) ** 2

# backward should be called only on a scalar
o = (1 / 2) * torch.sum(y)

# compute backward
o.backward()

# now we have the gradients of x
x.grad
# 10, 10

Neural Networks

Define simple NN

Simple network without any optimizer and manually defined loss function

import torch
from torch.autograd import Variable

dtype = torch.FloatTensor
N, D_in, H, D_out = 64, 1000, 100, 10

x = Variable(torch.randn(N, D_in).type(dtype), requires_grad=False)
y = Variable(torch.randn(N, D_out).type(dtype), requires_grad=False)

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

learning_rate = 1e-6

for t in range(500):

    y_pred = x.mm(w1)
    # simulate ReLU behavior
    y_pred = y_pred.clamp(min=0)
    y_pred = y_pred @ w2

    loss = (y_pred - y).pow(2).sum()
    # compute backward pass
    loss.backward()

    # manually apply the gradients
    w1.data -= learning_rate * w1.grad.data
    w2.data -= learning_rate * w2.grad.data

    # Manually zero the gradients after updating weights
    w1.grad.data.zero_()
    w2.grad.data.zero_()

NN with optimizer and loss

Now we will define network with nn module and with already predefined optimizer and loss

import torch
from torch.autograd import Variable

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

x = Variable(torch.randn(N, D_in))
y = Variable(torch.randn(N, D_out), requires_grad=False)

model = torch.nn.Sequential(
    torch.nn.Linear(D_in, H),
    torch.nn.ReLU(),
    torch.nn.Linear(H, D_out),
)

learning_rate = 1e-6
loss_fn = torch.nn.MSELoss(size_average=False)
optimizer = torch.nn.optim.SGD(model.parameters(), lr=learning_rate)

for t in range(500):
    y_pred = model(x)
    loss = loss_fn(y_pred, target)

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

NN class based

Create NN as class inherited from torch.nn.Module with convolution and linear layers

import torch
import torch.nn.functional as F

class Model(torch.nn.Module):
    def __init__(self, D_in, H, D_out):
        super().__init__()
        self.linear1 = torch.nn.Linear(D_in, H)
        self.linear2 = torch.nn.Linear(H, D_out)

    def forward(self, x):
        h_relu = F.relu(self.linear1(x))
        y_pred = self.linear2(h_relu)
        return y_pred


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

x = Variable(torch.randn(N, D_in))
y = Variable(torch.randn(N, D_out), requires_grad=False)

model = Model(D_in, H, D_out)

model = Model()
criterion = torch.nn.MSELoss(size_average=False)
optimizer = torch.optim.SGD(model.parameters(), lr=1e-4)
for t in range(500):
    y_pred = model(x)
    loss = criterion(y_pred, y)
    optimizer.zero_grad()
    loss.backward()
    optimizer.step()

Convolution Examples

Conv2d have such inputs: in_channels, out_channels, kernel_size

import torch

# Sequential based
model = torch.nn.Sequential(
      torch.nn.Conv2d(1,20,5),
      torch.nn.ReLU(),
      torch.nn.Conv2d(20,64,5),
      torch.nn.ReLU()
    )

# class based
class Model(nn.Module):

def __init__(self):
    super().__init__()
    self.conv1 = nn.Conv2d(1, 6, 5)
    self.conv2 = nn.Conv2d(6, 16, 5)

def forward(self, x):
    x = F.max_pool2d(F.relu(self.conv1(x)), (2, 2))
    x = F.max_pool2d(F.relu(self.conv2(x)), 2)
    return x

model = Model()

Additional topics

Train flag

Train flag can be updated with boolean to disable dropout and batch norm learning

model.train(True)
# execute train step
model.train(False)
# run inference step

Learning Rate Schedule

PyTorch have a lot of learning rate schedulers out of the box

# TODO: how they should be imported?

scheduler = StepLR(optimizer, step_size=30, gamma=0.1)
for epoch in range(100):
    scheduler.step()
    train()
    validate()

Data Loaders

import pandas as pd
import torch
import torchvision as tv


data_transforms = tv.transforms.Compose([
    tv.transforms.RandomCrop((64, 64), padding=4),
    tv.transforms.RandomHorizontalFlip(),
    tv.transforms.ToTensor(),
])


class ImagesDataset(torch.utils.data.Dataset):
    def __init__(self, df, transform=None,
                 loader=tv.datasets.folder.default_loader):
        self.df = df
        self.transform = transform
        self.loader = loader

    def __getitem__(self, index):
        row = self.df.iloc[index]

        target = row['class_']
        path = row['path']
        img = self.loader(path)
        if self.transform is not None:
            img = self.transform(img)

        return img, target

    def __len__(self):
        n, _ = self.df.shape
        return n


train_df = pd.read_csv('path/to/some.csv')
train_dataset = ImagesDataset(
    df=train_df,
    transform=data_transforms['train'])

train_loader = torch.utils.data.DataLoader(train_dataset,
                                           batch_size=10,
                                           shuffle=True,
                                           num_workers=16)

# fetch the batch, same as `__getitem__` method
for img, target in train_loader:
    pass

Use volatile flag during inference

In case of inference it’s better provide volatile flag during variable creation. It can be provided only in case if you exactly sure that there will be no any gradients computing

input_ = torch.Variable(input_, volatile=True)

Weights initialization

Weight initializtion in pytorch can be implemented in two ways:

import torch

# as function call to `nn` module
w = torch.Tensor(3, 5)
torch.nn.init.xavier_normal(w)

# as direct access to tensors data attribute
def weights_init(m):
    classname = m.__class__.__name__
    if classname.find('Conv') != -1:
        m.weight.data.normal_(0.0, 0.02)
    elif classname.find('BatchNorm') != -1:
        m.weight.data.normal_(1.0, 0.02)
        m.bias.data.fill_(0)


# for loop approach with direct access
class MyModel(nn.Module):
    def __init__(self):
        for m in self.modules():
            if isinstance(m, nn.Conv2d):
                n = m.kernel_size[0] * m.kernel_size[1] * m.out_channels
                m.weight.data.normal_(0, math.sqrt(2. / n))
            elif isinstance(m, nn.BatchNorm2d):
                m.weight.data.fill_(1)
                m.bias.data.zero_()
            elif isinstance(m, nn.Linear):
                m.bias.data.zero_()

Work with CUDA

import torch

# check is cuda enabled
torch.cuda.is_available()

# set required device
torch.cuda.set_device(0)

# work with some required cuda device
with torch.cuda.device(1):
    # allocates a tensor on GPU 1
    a = torch.cuda.FloatTensor(1)
    # a.get_device() == 1

    # but you still can manually assign tensor to required device
    d = torch.randn(2).cuda(2)
    # d.get_device() == 2