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VAE__old.py
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from __future__ import print_function
import argparse
import torch
import torch.utils.data
from torch import nn, optim
from torch.autograd import Variable
from torch.nn import functional as F
from torchvision import datasets, transforms
from torchvision.utils import save_image
parser = argparse.ArgumentParser(description='VAE MNIST Example')
parser.add_argument('--batch-size', type=int, default=128, metavar='N',
help='input batch size for training (default: 128)')
parser.add_argument('--epochs', type=int, default=10, metavar='N',
help='number of epochs to train (default: 10)')
parser.add_argument('--no-cuda', action='store_true', default=False,
help='enables CUDA training')
parser.add_argument('--seed', type=int, default=1, metavar='S',
help='random seed (default: 1)')
parser.add_argument('--log-interval', type=int, default=10, metavar='N',
help='how many batches to wait before logging training status')
args = parser.parse_args()
args.cuda = not args.no_cuda and torch.cuda.is_available()
torch.manual_seed(args.seed)
if args.cuda:
torch.cuda.manual_seed(args.seed)
kwargs = {'num_workers': 1, 'pin_memory': True} if args.cuda else {}
train_loader = torch.utils.data.DataLoader(
datasets.MNIST('../data', train=True, download=True,
transform=transforms.ToTensor()),
batch_size=args.batch_size, shuffle=True, **kwargs)
test_loader = torch.utils.data.DataLoader(
datasets.MNIST('../data', train=False, transform=transforms.ToTensor()),
batch_size=args.batch_size, shuffle=True, **kwargs)
class VAE_peptide(nn.Module):
def __init__(self):
super(VAE, self).__init__()
self.fc1 = nn.Linear(784, 400)
self.fc21 = nn.Linear(400, 20)
self.fc22 = nn.Linear(400, 20)
self.fc3 = nn.Linear(20, 400)
self.fc4 = nn.Linear(400, 784)
self.relu = nn.ReLU()
self.sigmoid = nn.Sigmoid()
def encode(self, x):
h1 = self.relu(self.fc1(x))
return self.fc21(h1), self.fc22(h1)
def reparameterize(self, mu, logvar):
if self.training:
std = logvar.mul(0.5).exp_()
eps = Variable(std.data.new(std.size()).normal_())
return eps.mul(std).add_(mu)
else:
return mu
def decode(self, z):
h3 = self.relu(self.fc3(z))
return self.sigmoid(self.fc4(h3))
def forward(self, x):
mu, logvar = self.encode(x.view(-1, 784))
z = self.reparameterize(mu, logvar)
return self.decode(z), mu, logvar
class VAE(nn.Module):
def __init__(self):
super(VAE, self).__init__()
self.fc1 = nn.Linear(784, 400)
self.fc21 = nn.Linear(400, 20)
self.fc22 = nn.Linear(400, 20)
self.fc3 = nn.Linear(20, 400)
self.fc4 = nn.Linear(400, 784)
self.relu = nn.ReLU()
self.sigmoid = nn.Sigmoid()
def encode(self, x):
h1 = self.relu(self.fc1(x))
return self.fc21(h1), self.fc22(h1)
def reparameterize(self, mu, logvar):
if self.training:
std = logvar.mul(0.5).exp_()
eps = Variable(std.data.new(std.size()).normal_())
return eps.mul(std).add_(mu)
else:
return mu
def decode(self, z):
h3 = self.relu(self.fc3(z))
return self.sigmoid(self.fc4(h3))
def forward(self, x):
mu, logvar = self.encode(x.view(-1, 784))
z = self.reparameterize(mu, logvar)
return self.decode(z), mu, logvar
model = VAE()
if args.cuda:
model.cuda()
optimizer = optim.Adam(model.parameters(), lr=1e-3)
# Reconstruction + KL divergence losses summed over all elements and batch
def loss_function(recon_x, x, mu, logvar):
BCE = F.binary_cross_entropy(recon_x, x.view(-1, 784), size_average=False)
# see Appendix B from VAE paper:
# Kingma and Welling. Auto-Encoding Variational Bayes. ICLR, 2014
# https://arxiv.org/abs/1312.6114
# 0.5 * sum(1 + log(sigma^2) - mu^2 - sigma^2)
KLD = -0.5 * torch.sum(1 + logvar - mu.pow(2) - logvar.exp())
return BCE + KLD
def train(epoch):
model.train()
train_loss = 0
for batch_idx, (data, _) in enumerate(train_loader):
data = Variable(data)
if args.cuda:
data = data.cuda()
optimizer.zero_grad()
recon_batch, mu, logvar = model(data)
loss = loss_function(recon_batch, data, mu, logvar)
loss.backward()
train_loss += loss.data[0]
optimizer.step()
if batch_idx % args.log_interval == 0:
print('Train Epoch: {} [{}/{} ({:.0f}%)]\tLoss: {:.6f}'.format(
epoch, batch_idx * len(data), len(train_loader.dataset),
100. * batch_idx / len(train_loader),
loss.data[0] / len(data)))
print('====> Epoch: {} Average loss: {:.4f}'.format(
epoch, train_loss / len(train_loader.dataset)))
def test(epoch):
model.eval()
test_loss = 0
for i, (data, _) in enumerate(test_loader):
if args.cuda:
data = data.cuda()
data = Variable(data, volatile=True)
recon_batch, mu, logvar = model(data)
test_loss += loss_function(recon_batch, data, mu, logvar).data[0]
if i == 0:
n = min(data.size(0), 8)
comparison = torch.cat([data[:n],
recon_batch.view(args.batch_size, 1, 28, 28)[:n]])
save_image(comparison.data.cpu(),
'results/reconstruction_' + str(epoch) + '.png', nrow=n)
test_loss /= len(test_loader.dataset)
print('====> Test set loss: {:.4f}'.format(test_loss))
for epoch in range(1, args.epochs + 1):
train(epoch)
test(epoch)
sample = Variable(torch.randn(64, 20))
if args.cuda:
sample = sample.cuda()
sample = model.decode(sample).cpu()
save_image(sample.data.view(64, 1, 28, 28),
'results/sample_' + str(epoch) + '.png')