successfully did some basic math and clipped the predicted x0 intermediate for the continuous time case

README.md

@@ -6,6 +6,8 @@ Implementation of <a href="https://arxiv.org/abs/2006.11239">Denoising Diffusion
 
 This implementation was transcribed from the official Tensorflow version <a href="https://github.com/hojonathanho/diffusion">here</a>
 
+<a href="https://huggingface.co/blog/annotated-diffusion">Annotated code</a> by Research Scientists / Engineers from <a href="https://huggingface.co/">🤗 Huggingface</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)
@@ -34,7 +36,7 @@ diffusion = GaussianDiffusion(
     loss_type = 'l1'    # L1 or L2
 )
 
-training_images = torch.randn(8, 3, 128, 128) # your images need to be normalized from a range of -1 to +1
+training_images = torch.randn(8, 3, 128, 128) # images are normalized from 0 to 1
 loss = diffusion(training_images)
 loss.backward()
 # after a lot of training
@@ -64,7 +66,7 @@ trainer = Trainer(
     diffusion,
     'path/to/your/images',
     train_batch_size = 32,
-    train_lr = 2e-5,
+    train_lr = 1e-4,
     train_num_steps = 700000,         # total training steps
     gradient_accumulate_every = 2,    # gradient accumulation steps
     ema_decay = 0.995,                # exponential moving average decay
@@ -108,3 +110,14 @@ Samples and model checkpoints will be logged to `./results` periodically
     url         = {https://proceedings.mlr.press/v139/nichol21a.html},
 }
 ```
+
+```bibtex
+@inproceedings{kingma2021on,
+    title       = {On Density Estimation with Diffusion Models},
+    author      = {Diederik P Kingma and Tim Salimans and Ben Poole and Jonathan Ho},
+    booktitle   = {Advances in Neural Information Processing Systems},
+    editor      = {A. Beygelzimer and Y. Dauphin and P. Liang and J. Wortman Vaughan},
+    year        = {2021},
+    url         = {https://openreview.net/forum?id=2LdBqxc1Yv}
+}
+```

denoising_diffusion_pytorch/__init__.py

@@ -1,4 +1,5 @@
 from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, Unet, Trainer
 
 from denoising_diffusion_pytorch.learned_gaussian_diffusion import LearnedGaussianDiffusion
+from denoising_diffusion_pytorch.continuous_time_gaussian_diffusion import ContinuousTimeGaussianDiffusion
 from denoising_diffusion_pytorch.weighted_objective_gaussian_diffusion import WeightedObjectiveGaussianDiffusion

denoising_diffusion_pytorch/continuous_time_gaussian_diffusion.py

@@ -0,0 +1,263 @@
+import torch
+from torch import sqrt
+from torch import nn, einsum
+import torch.nn.functional as F
+from torch.special import expm1
+
+from tqdm import tqdm
+from einops import rearrange, repeat
+from einops.layers.torch import Rearrange
+
+# helpers
+
+def exists(val):
+    return val is not None
+
+def default(val, d):
+    if exists(val):
+        return val
+    return d() if callable(d) else d
+
+# normalization functions
+
+def normalize_to_neg_one_to_one(img):
+    return img * 2 - 1
+
+def unnormalize_to_zero_to_one(t):
+    return (t + 1) * 0.5
+
+# diffusion helpers
+
+def right_pad_dims_to(x, t):
+    padding_dims = x.ndim - t.ndim
+    if padding_dims <= 0:
+        return t
+    return t.view(*t.shape, *((1,) * padding_dims))
+
+# neural net helpers
+
+class Residual(nn.Module):
+    def __init__(self, fn):
+        super().__init__()
+        self.fn = fn
+
+    def forward(self, x):
+        return x + self.fn(x)
+
+class MonotonicLinear(nn.Module):
+    def __init__(self, *args, **kwargs):
+        super().__init__()
+        self.net = nn.Linear(*args, **kwargs)
+
+    def forward(self, x):
+        return F.linear(x, self.net.weight.abs(), self.net.bias.abs())
+
+# continuous schedules
+
+# equations are taken from https://openreview.net/attachment?id=2LdBqxc1Yv&name=supplementary_material
+# @crowsonkb Katherine's repository also helped here https://github.com/crowsonkb/v-diffusion-jax/blob/master/diffusion/utils.py
+
+# log(snr) that approximates the original linear schedule
+
+def beta_linear_log_snr(t):
+    return -torch.log(expm1(1e-4 + 10 * (t ** 2)))
+
+def alpha_cosine_log_snr(t):
+    raise NotImplementedError
+
+class learned_noise_schedule(nn.Module):
+    """ described in section H and then I.2 of the supplementary material for variational ddpm paper """
+
+    def __init__(
+        self,
+        *,
+        log_snr_max,
+        log_snr_min,
+        hidden_dim = 1024,
+        frac_gradient = 1.
+    ):
+        super().__init__()
+        self.slope = log_snr_min - log_snr_max
+        self.intercept = log_snr_max
+
+        self.net = nn.Sequential(
+            Rearrange('... -> ... 1'),
+            MonotonicLinear(1, 1),
+            Residual(nn.Sequential(
+                MonotonicLinear(1, hidden_dim),
+                nn.Sigmoid(),
+                MonotonicLinear(hidden_dim, 1)
+            )),
+            Rearrange('... 1 -> ...'),
+        )
+
+        self.frac_gradient = frac_gradient
+
+    def forward(self, x):
+        frac_gradient = self.frac_gradient
+        device = x.device
+
+        out_zero = self.net(torch.zeros_like(x))
+        out_one =  self.net(torch.ones_like(x))
+
+        x = self.net(x)
+
+        normed = self.slope * ((x - out_zero) / (out_one - out_zero)) + self.intercept
+        return normed * frac_gradient + normed.detach() * (1 - frac_gradient)
+
+class ContinuousTimeGaussianDiffusion(nn.Module):
+    def __init__(
+        self,
+        denoise_fn,
+        *,
+        image_size,
+        channels = 3,
+        loss_type = 'l1',
+        noise_schedule = 'linear',
+        num_sample_steps = 500,
+        clip_sample_denoised = True,
+        learned_schedule_net_hidden_dim = 1024,
+        learned_noise_schedule_frac_gradient = 1.   # between 0 and 1, determines what percentage of gradients go back, so one can update the learned noise schedule more slowly
+    ):
+        super().__init__()
+        assert not denoise_fn.sinusoidal_cond_mlp
+
+        self.denoise_fn = denoise_fn
+
+        # image dimensions
+
+        self.channels = channels
+        self.image_size = image_size
+
+        # continuous noise schedule related stuff
+
+        self.loss_type = loss_type
+
+        if noise_schedule == 'linear':
+            self.log_snr = beta_linear_log_snr
+        elif noise_schedule == 'learned':
+            log_snr_max, log_snr_min = [beta_linear_log_snr(torch.tensor([time])).item() for time in (0., 1.)]
+
+            self.log_snr = learned_noise_schedule(
+                log_snr_max = log_snr_max,
+                log_snr_min = log_snr_min,
+                hidden_dim = learned_schedule_net_hidden_dim,
+                frac_gradient = learned_noise_schedule_frac_gradient
+            )
+        else:
+            raise ValueError(f'unknown noise schedule {noise_schedule}')
+
+        # sampling
+
+        self.num_sample_steps = num_sample_steps
+        self.clip_sample_denoised = clip_sample_denoised
+
+    @property
+    def device(self):
+        return next(self.denoise_fn.parameters()).device
+
+    @property
+    def loss_fn(self):
+        if self.loss_type == 'l1':
+            return F.l1_loss
+        elif self.loss_type == 'l2':
+            return F.mse_loss
+        else:
+            raise ValueError(f'invalid loss type {self.loss_type}')
+
+    def p_mean_variance(self, x, time, time_next):
+        # reviewer found an error in the equation in the paper (missing sigma)
+        # following - https://openreview.net/forum?id=2LdBqxc1Yv&noteId=rIQgH0zKsRt
+
+        log_snr = self.log_snr(time)
+        log_snr_next = self.log_snr(time_next)
+        c = -expm1(log_snr - log_snr_next)
+
+        squared_alpha, squared_alpha_next = log_snr.sigmoid(), log_snr_next.sigmoid()
+        squared_sigma, squared_sigma_next = (-log_snr).sigmoid(), (-log_snr_next).sigmoid()
+
+        alpha, sigma, alpha_next = map(sqrt, (squared_alpha, squared_sigma, squared_alpha_next))
+
+        batch_log_snr = repeat(log_snr, ' -> b', b = x.shape[0])
+        pred_noise = self.denoise_fn(x, batch_log_snr)
+
+        if self.clip_sample_denoised:
+            x_start = (x - sigma * pred_noise) / alpha
+
+            # in Imagen, this was changed to dynamic thresholding
+            x_start.clamp_(-1., 1.)
+
+            model_mean = alpha_next / alpha * x * (1 - c) + alpha_next * c * x_start
+        else:
+            model_mean = alpha_next / alpha * (x - c * sigma * pred_noise)
+
+        posterior_variance = squared_sigma_next * c
+
+        return model_mean, posterior_variance
+
+    # sampling related functions
+
+    @torch.no_grad()
+    def p_sample(self, x, time, time_next):
+        batch, *_, device = *x.shape, x.device
+
+        model_mean, model_variance = self.p_mean_variance(x = x, time = time, time_next = time_next)
+
+        if time_next == 0:
+            return model_mean
+
+        noise = torch.randn_like(x)
+        return model_mean + sqrt(model_variance) * noise
+
+    @torch.no_grad()
+    def p_sample_loop(self, shape):
+        batch = shape[0]
+
+        img = torch.randn(shape, device = self.device)
+        steps = torch.linspace(1., 0., self.num_sample_steps + 1, device = self.device)
+
+        for i in tqdm(range(self.num_sample_steps), desc = 'sampling loop time step', total = self.num_sample_steps):
+            times = steps[i]
+            times_next = steps[i + 1]
+            img = self.p_sample(img, times, times_next)
+
+        img.clamp_(-1., 1.)
+        img = unnormalize_to_zero_to_one(img)
+        return img
+
+    @torch.no_grad()
+    def sample(self, batch_size = 16):
+        return self.p_sample_loop((batch_size, self.channels, self.image_size, self.image_size))
+
+    # training related functions - noise prediction
+
+    def q_sample(self, x_start, times, noise = None):
+        noise = default(noise, lambda: torch.randn_like(x_start))
+
+        log_snr = self.log_snr(times)
+
+        log_snr_padded = right_pad_dims_to(x_start, log_snr)
+        alpha, sigma = sqrt(log_snr_padded.sigmoid()), sqrt((-log_snr_padded).sigmoid())
+        x_noised =  x_start * alpha + noise * sigma
+
+        return x_noised, log_snr
+
+    def random_times(self, batch_size):
+        # times are now uniform from 0 to 1
+        return torch.zeros((batch_size,), device = self.device).float().uniform_(0, 1)
+
+    def p_losses(self, x_start, times, noise = None):
+        noise = default(noise, lambda: torch.randn_like(x_start))
+
+        x, log_snr = self.q_sample(x_start = x_start, times = times, noise = noise)
+
+        model_out = self.denoise_fn(x, log_snr)
+        return self.loss_fn(model_out, noise)
+
+    def forward(self, img, *args, **kwargs):
+        b, c, h, w, device, img_size, = *img.shape, img.device, self.image_size
+        assert h == img_size and w == img_size, f'height and width of image must be {img_size}'
+
+        times = self.random_times(b)
+        img = normalize_to_neg_one_to_one(img)
+        return self.p_losses(img, times, *args, **kwargs)

denoising_diffusion_pytorch/denoising_diffusion_pytorch.py

@@ -16,6 +16,7 @@ from PIL import Image
 
 from tqdm import tqdm
 from einops import rearrange
+from einops.layers.torch import Rearrange
 
 # helpers functions
 
@@ -118,20 +119,27 @@ class PreNorm(nn.Module):
 class Block(nn.Module):
     def __init__(self, dim, dim_out, groups = 8):
         super().__init__()
-        self.block = nn.Sequential(
+        self.proj = nn.Conv2d(dim, dim_out, 3, padding = 1)
-            nn.Conv2d(dim, dim_out, 3, padding = 1),
+        self.norm = nn.GroupNorm(groups, dim_out)
-            nn.GroupNorm(groups, dim_out),
+        self.act = nn.SiLU()
-            nn.SiLU()
+
-        )
+    def forward(self, x, scale_shift = None):
-    def forward(self, x):
+        x = self.proj(x)
-        return self.block(x)
+        x = self.norm(x)
+
+        if exists(scale_shift):
+            scale, shift = scale_shift
+            x = x * (scale + 1) + shift
+
+        x = self.act(x)
+        return x
 
 class ResnetBlock(nn.Module):
     def __init__(self, dim, dim_out, *, time_emb_dim = None, groups = 8):
         super().__init__()
         self.mlp = nn.Sequential(
             nn.SiLU(),
-            nn.Linear(time_emb_dim, dim_out)
+            nn.Linear(time_emb_dim, dim_out * 2)
         ) if exists(time_emb_dim) else None
 
         self.block1 = Block(dim, dim_out, groups = groups)
@@ -139,11 +147,14 @@ class ResnetBlock(nn.Module):
         self.res_conv = nn.Conv2d(dim, dim_out, 1) if dim != dim_out else nn.Identity()
 
     def forward(self, x, time_emb = None):
-        h = self.block1(x)
 
+        scale_shift = None
         if exists(self.mlp) and exists(time_emb):
             time_emb = self.mlp(time_emb)
-            h = rearrange(time_emb, 'b c -> b c 1 1') + h
+            time_emb = rearrange(time_emb, 'b c -> b c 1 1')
+            scale_shift = time_emb.chunk(2, dim = 1)
+
+        h = self.block1(x, scale_shift = scale_shift)
 
         h = self.block2(h)
         return h + self.res_conv(x)
@@ -201,6 +212,18 @@ class Attention(nn.Module):
 
 # model
 
+def MLP(dim_in, dim_hidden):
+    return nn.Sequential(
+        Rearrange('... -> ... 1'),
+        nn.Linear(1, dim_hidden),
+        nn.GELU(),
+        nn.LayerNorm(dim_hidden),
+        nn.Linear(dim_hidden, dim_hidden),
+        nn.GELU(),
+        nn.LayerNorm(dim_hidden),
+        nn.Linear(dim_hidden, dim_hidden)
+    )
+
 class Unet(nn.Module):
     def __init__(
         self,
@@ -209,9 +232,9 @@ class Unet(nn.Module):
         out_dim = None,
         dim_mults=(1, 2, 4, 8),
         channels = 3,
-        with_time_emb = True,
         resnet_block_groups = 8,
-        learned_variance = False
+        learned_variance = False,
+        sinusoidal_cond_mlp = True
     ):
         super().__init__()
 
@@ -229,8 +252,11 @@ class Unet(nn.Module):
 
         # time embeddings
 
-        if with_time_emb:
+        time_dim = dim * 4
-            time_dim = dim * 4
+
+        self.sinusoidal_cond_mlp = sinusoidal_cond_mlp
+
+        if sinusoidal_cond_mlp:
             self.time_mlp = nn.Sequential(
                 SinusoidalPosEmb(dim),
                 nn.Linear(dim, time_dim),
@@ -238,8 +264,7 @@ class Unet(nn.Module):
                 nn.Linear(time_dim, time_dim)
             )
         else:
-            time_dim = None
+            self.time_mlp = MLP(1, time_dim)
-            self.time_mlp = None
 
         # layers
 
@@ -282,8 +307,7 @@ class Unet(nn.Module):
 
     def forward(self, x, time):
         x = self.init_conv(x)
-
+        t = self.time_mlp(time)
-        t = self.time_mlp(time) if exists(self.time_mlp) else None
 
         h = []
 
@@ -314,10 +338,11 @@ def extract(a, t, x_shape):
     out = a.gather(-1, t)
     return out.reshape(b, *((1,) * (len(x_shape) - 1)))
 
-def noise_like(shape, device, repeat=False):
+def linear_beta_schedule(timesteps):
-    repeat_noise = lambda: torch.randn((1, *shape[1:]), device=device).repeat(shape[0], *((1,) * (len(shape) - 1)))
+    scale = 1000 / timesteps
-    noise = lambda: torch.randn(shape, device=device)
+    beta_start = scale * 0.0001
-    return repeat_noise() if repeat else noise()
+    beta_end = scale * 0.02
+    return torch.linspace(beta_start, beta_end, timesteps, dtype = torch.float64)
 
 def cosine_beta_schedule(timesteps, s = 0.008):
     """
@@ -340,7 +365,8 @@ class GaussianDiffusion(nn.Module):
         channels = 3,
         timesteps = 1000,
         loss_type = 'l1',
-        objective = 'pred_noise'
+        objective = 'pred_noise',
+        beta_schedule = 'cosine'
     ):
         super().__init__()
         assert not (type(self) == GaussianDiffusion and denoise_fn.channels != denoise_fn.out_dim)
@@ -350,7 +376,12 @@ class GaussianDiffusion(nn.Module):
         self.denoise_fn = denoise_fn
         self.objective = objective
 
-        betas = cosine_beta_schedule(timesteps)
+        if beta_schedule == 'linear':
+            betas = linear_beta_schedule(timesteps)
+        elif beta_schedule == 'cosine':
+            betas = cosine_beta_schedule(timesteps)
+        else:
+            raise ValueError(f'unknown beta schedule {beta_schedule}')
 
         alphas = 1. - betas
         alphas_cumprod = torch.cumprod(alphas, axis=0)
@@ -422,10 +453,10 @@ class GaussianDiffusion(nn.Module):
         return model_mean, posterior_variance, posterior_log_variance
 
     @torch.no_grad()
-    def p_sample(self, x, t, clip_denoised=True, repeat_noise=False):
+    def p_sample(self, x, t, clip_denoised=True):
         b, *_, device = *x.shape, x.device
         model_mean, _, model_log_variance = self.p_mean_variance(x=x, t=t, clip_denoised=clip_denoised)
-        noise = noise_like(x.shape, device, repeat_noise)
+        noise = torch.randn_like(x)
         # no noise when t == 0
         nonzero_mask = (1 - (t == 0).float()).reshape(b, *((1,) * (len(x.shape) - 1)))
         return model_mean + nonzero_mask * (0.5 * model_log_variance).exp() * noise
@@ -439,6 +470,8 @@ class GaussianDiffusion(nn.Module):
 
         for i in tqdm(reversed(range(0, self.num_timesteps)), desc='sampling loop time step', total=self.num_timesteps):
             img = self.p_sample(img, torch.full((b,), i, device=device, dtype=torch.long))
+
+        img = unnormalize_to_zero_to_one(img)
         return img
 
     @torch.no_grad()
@@ -497,11 +530,13 @@ class GaussianDiffusion(nn.Module):
         loss = self.loss_fn(model_out, target)
         return loss
 
-    def forward(self, x, *args, **kwargs):
+    def forward(self, img, *args, **kwargs):
-        b, c, h, w, device, img_size, = *x.shape, x.device, self.image_size
+        b, c, h, w, device, img_size, = *img.shape, img.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)
+
+        img = normalize_to_neg_one_to_one(img)
+        return self.p_losses(img, t, *args, **kwargs)
 
 # dataset classes
 
@@ -516,8 +551,7 @@ class Dataset(data.Dataset):
             transforms.Resize(image_size),
             transforms.RandomHorizontalFlip(),
             transforms.CenterCrop(image_size),
-            transforms.ToTensor(),
+            transforms.ToTensor()
-            transforms.Lambda(normalize_to_neg_one_to_one)
         ])
 
     def __len__(self):
@@ -539,7 +573,7 @@ class Trainer(object):
         ema_decay = 0.995,
         image_size = 128,
         train_batch_size = 32,
-        train_lr = 2e-5,
+        train_lr = 1e-4,
         train_num_steps = 100000,
         gradient_accumulate_every = 2,
         amp = False,
@@ -629,7 +663,6 @@ class Trainer(object):
                     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 = unnormalize_to_zero_to_one(all_images)
                     utils.save_image(all_images, str(self.results_folder / f'sample-{milestone}.png'), nrow = 6)
                     self.save(milestone)
 

setup.py

@@ -3,12 +3,13 @@ from setuptools import setup, find_packages
 setup(
   name = 'denoising-diffusion-pytorch',
   packages = find_packages(),
-  version = '0.15.3',
+  version = '0.17.5',
   license='MIT',
   description = 'Denoising Diffusion Probabilistic Models - Pytorch',
   author = 'Phil Wang',
   author_email = 'lucidrains@gmail.com',
   url = 'https://github.com/lucidrains/denoising-diffusion-pytorch',
+  long_description_content_type = 'text/markdown',
   keywords = [
     'artificial intelligence',
     'generative models'