move all constants into configurable class init parameters

.gitignore

@@ -1,3 +1,6 @@
+# Generation results
+results/
+
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]

README.md

@@ -1,6 +1,12 @@
-## Denoising Diffusion Probabilistic Model, in Pytorch (wip)
+<img src="./denoising-diffusion.png" width="500px"></img>
 
-Implementation of <a href="https://arxiv.org/abs/2006.11239">Denoising Diffusion Probabilistic Model</a> in Pytorch.
+## Denoising Diffusion Probabilistic Model, in Pytorch
+
+Implementation of <a href="https://arxiv.org/abs/2006.11239">Denoising Diffusion Probabilistic Model</a> in Pytorch. It is a new approach to generative modeling that may <a href="https://ajolicoeur.wordpress.com/the-new-contender-to-gans-score-matching-with-langevin-sampling/">have the potential</a> to rival GANs. It uses denoising score matching to estimate the gradient of the data distribution, followed by Langevin sampling to sample from the true distribution. This implementation was transcribed from the official Tensorflow version <a href="https://github.com/hojonathanho/diffusion">here</a>. 
+
+<img src="./sample.png" width="500px"><img>
+
+[![PyPI version](https://badge.fury.io/py/denoising-diffusion-pytorch.svg)](https://badge.fury.io/py/denoising-diffusion-pytorch)
 
 ## Install
 
@@ -21,10 +27,9 @@ model = Unet(
 
 diffusion = GaussianDiffusion(
     model,
-    beta_start = 0.0001,
-    beta_end = 0.02,
-    num_diffusion_timesteps = 1000,   # number of steps
-    loss_type = 'l1'                  # L1 or L2 (wavegrad paper claims l1 is better?)
+    image_size = 128,
+    timesteps = 1000,   # number of steps
+    loss_type = 'l1'    # L1 or L2
 )
 
 training_images = torch.randn(8, 3, 128, 128)
@@ -32,30 +37,63 @@ loss = diffusion(training_images)
 loss.backward()
 # after a lot of training
 
-sampled_images = diffusion.p_sample_loop((1, 3, 128, 128))
-sampled_images.shape # (1, 3, 128, 128)
+sampled_images = diffusion.sample(batch_size = 4)
+sampled_images.shape # (4, 3, 128, 128)
 ```
 
+Or, if you simply want to pass in a folder name and the desired image dimensions, you can use the `Trainer` class to easily train a model.
+
+```python
+from denoising_diffusion_pytorch import Unet, GaussianDiffusion, Trainer
+
+model = Unet(
+    dim = 64,
+    dim_mults = (1, 2, 4, 8)
+).cuda()
+
+diffusion = GaussianDiffusion(
+    model,
+    image_size = 128,
+    timesteps = 1000,   # number of steps
+    loss_type = 'l1'    # L1 or L2
+).cuda()
+
+trainer = Trainer(
+    diffusion,
+    'path/to/your/images',
+    train_batch_size = 32,
+    train_lr = 2e-5,
+    train_num_steps = 700000,         # total training steps
+    gradient_accumulate_every = 2,    # gradient accumulation steps
+    ema_decay = 0.995,                # exponential moving average decay
+    fp16 = True                       # turn on mixed precision training with apex
+)
+
+trainer.train()
+```
+
+Samples and model checkpoints will be logged to `./results` periodically
+
 ## Citations
 
 ```bibtex
 @misc{ho2020denoising,
-    title={Denoising Diffusion Probabilistic Models},
-    author={Jonathan Ho and Ajay Jain and Pieter Abbeel},
-    year={2020},
-    eprint={2006.11239},
-    archivePrefix={arXiv},
-    primaryClass={cs.LG}
+    title   = {Denoising Diffusion Probabilistic Models},
+    author  = {Jonathan Ho and Ajay Jain and Pieter Abbeel},
+    year    = {2020},
+    eprint  = {2006.11239},
+    archivePrefix = {arXiv},
+    primaryClass = {cs.LG}
 }
 ```
 
 ```bibtex
-@misc{chen2020wavegrad,
-    title={WaveGrad: Estimating Gradients for Waveform Generation},
-    author={Nanxin Chen and Yu Zhang and Heiga Zen and Ron J. Weiss and Mohammad Norouzi and William Chan},
-    year={2020},
-    eprint={2009.00713},
-    archivePrefix={arXiv},
-    primaryClass={eess.AS}
+@inproceedings{anonymous2021improved,
+    title   = {Improved Denoising Diffusion Probabilistic Models},
+    author  = {Anonymous},
+    booktitle = {Submitted to International Conference on Learning Representations},
+    year    = {2021},
+    url     = {https://openreview.net/forum?id=-NEXDKk8gZ},
+    note    = {under review}
 }
 ```

denoising_diffusion_pytorch/__init__.py

@@ -1 +1 @@
-from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, Unet
+from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, Unet, Trainer

denoising_diffusion_pytorch/denoising_diffusion_pytorch.py

@@ -1,14 +1,27 @@
 import math
+import copy
 import torch
-from inspect import isfunction
-from functools import partial
 from torch import nn, einsum
 import torch.nn.functional as F
+from inspect import isfunction
+from functools import partial
+
+from torch.utils import data
+from pathlib import Path
+from torch.optim import Adam
+from torchvision import transforms, utils
+from PIL import Image
 
 import numpy as np
 from tqdm import tqdm
 from einops import rearrange
 
+try:
+    from apex import amp
+    APEX_AVAILABLE = True
+except:
+    APEX_AVAILABLE = False
+
 # helpers functions
 
 def exists(x):
@@ -19,11 +32,43 @@ def default(val, d):
         return val
     return d() if isfunction(d) else d
 
-def normal_kl(mean1, logvar1, mean2, logvar2):
-    return 0.5 * (-1. + logvar2 - logvar1 + torch.exp(logvar1 - logvar2) + torch.exp(-logvar2) * (mean1 - mean2) ** 2)
+def cycle(dl):
+    while True:
+        for data in dl:
+            yield data
+
+def num_to_groups(num, divisor):
+    groups = num // divisor
+    remainder = num % divisor
+    arr = [divisor] * groups
+    if remainder > 0:
+        arr.append(remainder)
+    return arr
+
+def loss_backwards(fp16, loss, optimizer, **kwargs):
+    if fp16:
+        with amp.scale_loss(loss, optimizer) as scaled_loss:
+            scaled_loss.backward(**kwargs)
+    else:
+        loss.backward(**kwargs)
 
 # small helper modules
 
+class EMA():
+    def __init__(self, beta):
+        super().__init__()
+        self.beta = beta
+
+    def update_model_average(self, ma_model, current_model):
+        for current_params, ma_params in zip(current_model.parameters(), ma_model.parameters()):
+            old_weight, up_weight = ma_params.data, current_params.data
+            ma_params.data = self.update_average(old_weight, up_weight)
+
+    def update_average(self, old, new):
+        if old is None:
+            return new
+        return old * self.beta + (1 - self.beta) * new
+
 class Residual(nn.Module):
     def __init__(self, fn):
         super().__init__()
@@ -67,17 +112,18 @@ class Downsample(nn.Module):
         return self.conv(x)
 
 class Rezero(nn.Module):
-    def __init__(self, dim):
+    def __init__(self, fn):
         super().__init__()
+        self.fn = fn
         self.g = nn.Parameter(torch.zeros(1))
 
     def forward(self, x):
-        return x * self.g
+        return self.fn(x) * self.g
 
 # building block modules
 
 class Block(nn.Module):
-    def __init__(self, dim, dim_out, groups = 32):
+    def __init__(self, dim, dim_out, groups = 8):
         super().__init__()
         self.block = nn.Sequential(
             nn.Conv2d(dim, dim_out, 3, padding=1),
@@ -88,7 +134,7 @@ class Block(nn.Module):
         return self.block(x)
 
 class ResnetBlock(nn.Module):
-    def __init__(self, dim, dim_out, *, time_emb_dim, groups = 32):
+    def __init__(self, dim, dim_out, *, time_emb_dim, groups = 8):
         super().__init__()
         self.mlp = nn.Sequential(
             Mish(),
@@ -106,18 +152,17 @@ class ResnetBlock(nn.Module):
         return h + self.res_conv(x)
 
 class LinearAttention(nn.Module):
-    def __init__(self, dim, heads = 8, dim_head = 32):
+    def __init__(self, dim, heads = 4, dim_head = 32):
         super().__init__()
         self.heads = heads
         hidden_dim = dim_head * heads
-        self.to_qkv = nn.Conv2d(dim, hidden_dim, 1, bias = False)
+        self.to_qkv = nn.Conv2d(dim, hidden_dim * 3, 1, bias = False)
         self.to_out = nn.Conv2d(hidden_dim, dim, 1)
 
     def forward(self, x):
         b, c, h, w = x.shape
         qkv = self.to_qkv(x)
-        q, k, v = rearrange(qkv, 'b (qkv heads c) h w -> qkv b heads c (h w)', heads = self.heads)
-        q = q.softmax(dim=-2)
+        q, k, v = rearrange(qkv, 'b (qkv heads c) h w -> qkv b heads c (h w)', heads = self.heads, qkv=3)
         k = k.softmax(dim=-1)
         context = torch.einsum('bhdn,bhen->bhde', k, v)
         out = torch.einsum('bhde,bhdn->bhen', context, q)
@@ -127,9 +172,18 @@ class LinearAttention(nn.Module):
 # model
 
 class Unet(nn.Module):
-    def __init__(self, dim, out_dim = None, dim_mults=(1, 2, 4, 8), groups = 32):
+    def __init__(
+        self,
+        dim,
+        out_dim = None,
+        dim_mults=(1, 2, 4, 8),
+        groups = 8,
+        channels = 3
+    ):
         super().__init__()
-        dims = [3, *map(lambda m: dim * m, dim_mults)]
+        self.channels = channels
+
+        dims = [channels, *map(lambda m: dim * m, dim_mults)]
         in_out = list(zip(dims[:-1], dims[1:]))
 
         self.time_pos_emb = SinusoidalPosEmb(dim)
@@ -148,6 +202,7 @@ class Unet(nn.Module):
 
             self.downs.append(nn.ModuleList([
                 ResnetBlock(dim_in, dim_out, time_emb_dim = dim),
+                ResnetBlock(dim_out, dim_out, time_emb_dim = dim),
                 Residual(Rezero(LinearAttention(dim_out))),
                 Downsample(dim_out) if not is_last else nn.Identity()
             ]))
@@ -162,11 +217,12 @@ class Unet(nn.Module):
 
             self.ups.append(nn.ModuleList([
                 ResnetBlock(dim_out * 2, dim_in, time_emb_dim = dim),
+                ResnetBlock(dim_in, dim_in, time_emb_dim = dim),
                 Residual(Rezero(LinearAttention(dim_in))),
                 Upsample(dim_in) if not is_last else nn.Identity()
             ]))
 
-        out_dim = default(out_dim, 3)
+        out_dim = default(out_dim, channels)
         self.final_conv = nn.Sequential(
             Block(dim, dim),
             nn.Conv2d(dim, out_dim, 1)
@@ -178,8 +234,9 @@ class Unet(nn.Module):
 
         h = []
 
-        for resnet, attn, downsample in self.downs:
+        for resnet, resnet2, attn, downsample in self.downs:
             x = resnet(x, t)
+            x = resnet2(x, t)
             x = attn(x)
             h.append(x)
             x = downsample(x)
@@ -188,9 +245,10 @@ class Unet(nn.Module):
         x = self.mid_attn(x)
         x = self.mid_block2(x, t)
 
-        for resnet, attn, upsample in self.ups:
+        for resnet, resnet2, attn, upsample in self.ups:
             x = torch.cat((x, h.pop()), dim=1)
             x = resnet(x, t)
+            x = resnet2(x, t)
             x = attn(x)
             x = upsample(x)
 
@@ -208,20 +266,47 @@ def noise_like(shape, device, repeat=False):
     noise = lambda: torch.randn(shape, device=device)
     return repeat_noise() if repeat else noise()
 
+def cosine_beta_schedule(timesteps, s = 0.008):
+    """
+    cosine schedule
+    as proposed in https://openreview.net/forum?id=-NEXDKk8gZ
+    """
+    steps = timesteps + 1
+    x = np.linspace(0, steps, steps)
+    alphas_cumprod = np.cos(((x / steps) + s) / (1 + s) * np.pi * 0.5) ** 2
+    alphas_cumprod = alphas_cumprod / alphas_cumprod[0]
+    betas = 1 - (alphas_cumprod[1:] / alphas_cumprod[:-1])
+    return np.clip(betas, a_min = 0, a_max = 0.999)
+
 class GaussianDiffusion(nn.Module):
-    def __init__(self, denoise_fn, beta_start=0.0001, beta_end=0.02, num_diffusion_timesteps=1000, loss_type='l1'):
+    def __init__(
+        self,
+        denoise_fn,
+        *,
+        image_size,
+        channels = 3,
+        timesteps = 1000,
+        loss_type = 'l1',
+        betas = None
+    ):
         super().__init__()
+        self.channels = channels
+        self.image_size = image_size
         self.denoise_fn = denoise_fn
 
-        self.np_betas = betas = np.linspace(beta_start, beta_end, num_diffusion_timesteps).astype(np.float64)
-        timesteps, = betas.shape
-        self.num_timesteps = int(timesteps)
-        self.loss_type = loss_type
+        if exists(betas):
+            betas = betas.detach().cpu().numpy() if isinstance(betas, torch.Tensor) else betas
+        else:
+            betas = cosine_beta_schedule(timesteps)
 
         alphas = 1. - betas
         alphas_cumprod = np.cumprod(alphas, axis=0)
         alphas_cumprod_prev = np.append(1., alphas_cumprod[:-1])
 
+        timesteps, = betas.shape
+        self.num_timesteps = int(timesteps)
+        self.loss_type = loss_type
+
         to_torch = partial(torch.tensor, dtype=torch.float32)
 
         self.register_buffer('betas', to_torch(betas))
@@ -296,6 +381,28 @@ class GaussianDiffusion(nn.Module):
             img = self.p_sample(img, torch.full((b,), i, device=device, dtype=torch.long))
         return img
 
+    @torch.no_grad()
+    def sample(self, batch_size = 16):
+        image_size = self.image_size
+        channels = self.channels
+        return self.p_sample_loop((batch_size, channels, image_size, image_size))
+
+    @torch.no_grad()
+    def interpolate(self, x1, x2, t = None, lam = 0.5):
+        b, *_, device = *x1.shape, x1.device
+        t = default(t, self.num_timesteps - 1)
+
+        assert x1.shape == x2.shape
+
+        t_batched = torch.stack([torch.tensor(t, device=device)] * b)
+        xt1, xt2 = map(lambda x: self.q_sample(x, t=t_batched), (x1, x2))
+
+        img = (1 - lam) * xt1 + lam * xt2
+        for i in tqdm(reversed(range(0, t)), desc='interpolation sample time step', total=t):
+            img = self.p_sample(img, torch.full((b,), i, device=device, dtype=torch.long))
+
+        return img
+
     def q_sample(self, x_start, t, noise=None):
         noise = default(noise, lambda: torch.randn_like(x_start))
 
@@ -321,6 +428,136 @@ class GaussianDiffusion(nn.Module):
         return loss
 
     def forward(self, x, *args, **kwargs):
-        b, *_, device = *x.shape, x.device
+        b, c, h, w, device, img_size, = *x.shape, x.device, self.image_size
+        assert h == img_size and w == img_size, f'height and width of image must be {img_size}'
         t = torch.randint(0, self.num_timesteps, (b,), device=device).long()
         return self.p_losses(x, t, *args, **kwargs)
+
+# dataset classes
+
+class Dataset(data.Dataset):
+    def __init__(self, folder, image_size, exts = ['jpg', 'jpeg', 'png']):
+        super().__init__()
+        self.folder = folder
+        self.image_size = image_size
+        self.paths = [p for ext in exts for p in Path(f'{folder}').glob(f'**/*.{ext}')]
+
+        self.transform = transforms.Compose([
+            transforms.Resize(image_size),
+            transforms.RandomHorizontalFlip(),
+            transforms.CenterCrop(image_size),
+            transforms.ToTensor(),
+            transforms.Lambda(lambda t: (t * 2) - 1)
+        ])
+
+    def __len__(self):
+        return len(self.paths)
+
+    def __getitem__(self, index):
+        path = self.paths[index]
+        img = Image.open(path)
+        return self.transform(img)
+
+# trainer class
+
+class Trainer(object):
+    def __init__(
+        self,
+        diffusion_model,
+        folder,
+        *,
+        ema_decay = 0.995,
+        image_size = 128,
+        train_batch_size = 32,
+        train_lr = 2e-5,
+        train_num_steps = 100000,
+        gradient_accumulate_every = 2,
+        fp16 = False,
+        step_start_ema = 2000,
+        update_ema_every = 10,
+        save_and_sample_every = 1000,
+        results_folder = './results'
+    ):
+        super().__init__()
+        self.model = diffusion_model
+        self.ema = EMA(ema_decay)
+        self.ema_model = copy.deepcopy(self.model)
+        self.update_ema_every = update_ema_every
+
+        self.step_start_ema = step_start_ema
+        self.save_and_sample_every = save_and_sample_every
+
+        self.batch_size = train_batch_size
+        self.image_size = diffusion_model.image_size
+        self.gradient_accumulate_every = gradient_accumulate_every
+        self.train_num_steps = train_num_steps
+
+        self.ds = Dataset(folder, image_size)
+        self.dl = cycle(data.DataLoader(self.ds, batch_size = train_batch_size, shuffle=True, pin_memory=True))
+        self.opt = Adam(diffusion_model.parameters(), lr=train_lr)
+
+        self.step = 0
+
+        assert not fp16 or fp16 and APEX_AVAILABLE, 'Apex must be installed in order for mixed precision training to be turned on'
+
+        self.fp16 = fp16
+        if fp16:
+            (self.model, self.ema_model), self.opt = amp.initialize([self.model, self.ema_model], self.opt, opt_level='O1')
+
+        self.results_folder = Path(results_folder)
+        self.results_folder.mkdir(exist_ok = True)
+
+        self.reset_parameters()
+
+    def reset_parameters(self):
+        self.ema_model.load_state_dict(self.model.state_dict())
+
+    def step_ema(self):
+        if self.step < self.step_start_ema:
+            self.reset_parameters()
+            return
+        self.ema.update_model_average(self.ema_model, self.model)
+
+    def save(self, milestone):
+        data = {
+            'step': self.step,
+            'model': self.model.state_dict(),
+            'ema': self.ema_model.state_dict()
+        }
+        torch.save(data, str(self.results_folder / f'model-{milestone}.pt'))
+
+    def load(self, milestone):
+        data = torch.load(str(self.results_folder / f'model-{milestone}.pt'))
+
+        self.step = data['step']
+        self.model.load_state_dict(data['model'])
+        self.ema_model.load_state_dict(data['ema'])
+
+    def train(self):
+        backwards = partial(loss_backwards, self.fp16)
+
+        while self.step < self.train_num_steps:
+            for i in range(self.gradient_accumulate_every):
+                data = next(self.dl).cuda()
+                loss = self.model(data)
+                print(f'{self.step}: {loss.item()}')
+                backwards(loss / self.gradient_accumulate_every, self.opt)
+
+            self.opt.step()
+            self.opt.zero_grad()
+
+            if self.step % self.update_ema_every == 0:
+                self.step_ema()
+
+            if self.step != 0 and self.step % self.save_and_sample_every == 0:
+                milestone = self.step // self.save_and_sample_every
+                batches = num_to_groups(36, self.batch_size)
+                all_images_list = list(map(lambda n: self.ema_model.sample(batch_size=n), batches))
+                all_images = torch.cat(all_images_list, dim=0)
+                all_images = (all_images + 1) * 0.5
+                utils.save_image(all_images, str(self.results_folder / f'sample-{milestone}.png'), nrow = 6)
+                self.save(milestone)
+
+            self.step += 1
+
+        print('training completed')

setup.py

@@ -3,7 +3,7 @@ from setuptools import setup, find_packages
 setup(
   name = 'denoising-diffusion-pytorch',
   packages = find_packages(),
-  version = '0.0.2',
+  version = '0.6.6',
   license='MIT',
   description = 'Denoising Diffusion Probabilistic Models - Pytorch',
   author = 'Phil Wang',
@@ -16,7 +16,9 @@ setup(
   install_requires=[
     'einops',
     'numpy',
+    'pillow',
     'torch',
+    'torchvision',
     'tqdm'
   ],
   classifiers=[