add clamping option to elucidated diffusion

Solve issue #26

README.md

@@ -133,3 +133,13 @@ Samples and model checkpoints will be logged to `./results` periodically
     volume  = {abs/2204.00227}
 }
 ```
+
+```bibtex
+@article{Karras2022ElucidatingTD,
+    title   = {Elucidating the Design Space of Diffusion-Based Generative Models},
+    author  = {Tero Karras and Miika Aittala and Timo Aila and Samuli Laine},
+    journal = {ArXiv},
+    year    = {2022},
+    volume  = {abs/2206.00364}
+}
+```

denoising_diffusion_pytorch/__init__.py

@@ -3,3 +3,4 @@ from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiff
 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
+from denoising_diffusion_pytorch.elucidated_diffusion import ElucidatedDiffusion

denoising_diffusion_pytorch/continuous_time_gaussian_diffusion.py

@@ -1,3 +1,4 @@
+import math
 import torch
 from torch import sqrt
 from torch import nn, einsum
@@ -66,7 +67,7 @@ def beta_linear_log_snr(t):
     return -log(expm1(1e-4 + 10 * (t ** 2)))
 
 def alpha_cosine_log_snr(t, s = 0.008):
-    return -log((torch.cos((t + s) / (1 + s) * torch.pi * 0.5) ** -2) - 1, eps = 1e-5)
+    return -log((torch.cos((t + s) / (1 + s) * math.pi * 0.5) ** -2) - 1, eps = 1e-5)
 
 class learned_noise_schedule(nn.Module):
     """ described in section H and then I.2 of the supplementary material for variational ddpm paper """
@@ -125,7 +126,7 @@ class ContinuousTimeGaussianDiffusion(nn.Module):
         p2_loss_weight_k = 1
     ):
         super().__init__()
-        assert not denoise_fn.sinusoidal_cond_mlp
+        assert denoise_fn.learned_sinusoidal_cond
 
         self.denoise_fn = denoise_fn
 

denoising_diffusion_pytorch/denoising_diffusion_pytorch.py

@@ -15,10 +15,17 @@ from torch.optim import Adam
 from torchvision import transforms, utils
 from PIL import Image
 
-from tqdm import tqdm
 from einops import rearrange, reduce
 from einops.layers.torch import Rearrange
 
+from ema_pytorch import EMA
+
+import sys
+if 'ipykernel' in sys.modules:
+    from tqdm.notebook import tqdm
+else:
+    from tqdm import tqdm
+
 # helpers functions
 
 def exists(x):
@@ -50,21 +57,6 @@ def unnormalize_to_zero_to_one(t):
 
 # 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__()
@@ -73,25 +65,14 @@ class Residual(nn.Module):
     def forward(self, x, *args, **kwargs):
         return self.fn(x, *args, **kwargs) + x
 
-class SinusoidalPosEmb(nn.Module):
-    def __init__(self, dim):
-        super().__init__()
-        self.dim = dim
+def Upsample(dim, dim_out = None):
+    return nn.Sequential(
+        nn.Upsample(scale_factor = 2, mode = 'nearest'),
+        nn.Conv2d(dim, default(dim_out, dim), 3, padding = 1)
+    )
 
-    def forward(self, x):
-        device = x.device
-        half_dim = self.dim // 2
-        emb = math.log(10000) / (half_dim - 1)
-        emb = torch.exp(torch.arange(half_dim, device=device) * -emb)
-        emb = x[:, None] * emb[None, :]
-        emb = torch.cat((emb.sin(), emb.cos()), dim=-1)
-        return emb
-
-def Upsample(dim):
-    return nn.ConvTranspose2d(dim, dim, 4, 2, 1)
-
-def Downsample(dim):
-    return nn.Conv2d(dim, dim, 4, 2, 1)
+def Downsample(dim, dim_out = None):
+    return nn.Conv2d(dim, default(dim_out, dim), 4, 2, 1)
 
 class LayerNorm(nn.Module):
     def __init__(self, dim, eps = 1e-5):
@@ -115,6 +96,39 @@ class PreNorm(nn.Module):
         x = self.norm(x)
         return self.fn(x)
 
+# sinusoidal positional embeds
+
+class SinusoidalPosEmb(nn.Module):
+    def __init__(self, dim):
+        super().__init__()
+        self.dim = dim
+
+    def forward(self, x):
+        device = x.device
+        half_dim = self.dim // 2
+        emb = math.log(10000) / (half_dim - 1)
+        emb = torch.exp(torch.arange(half_dim, device=device) * -emb)
+        emb = x[:, None] * emb[None, :]
+        emb = torch.cat((emb.sin(), emb.cos()), dim=-1)
+        return emb
+
+class LearnedSinusoidalPosEmb(nn.Module):
+    """ following @crowsonkb 's lead with learned sinusoidal pos emb """
+    """ https://github.com/crowsonkb/v-diffusion-jax/blob/master/diffusion/models/danbooru_128.py#L8 """
+
+    def __init__(self, dim):
+        super().__init__()
+        assert (dim % 2) == 0
+        half_dim = dim // 2
+        self.weights = nn.Parameter(torch.randn(half_dim))
+
+    def forward(self, x):
+        x = rearrange(x, 'b -> b 1')
+        freqs = x * rearrange(self.weights, 'd -> 1 d') * 2 * math.pi
+        fouriered = torch.cat((freqs.sin(), freqs.cos()), dim = -1)
+        fouriered = torch.cat((x, fouriered), dim = -1)
+        return fouriered
+
 # building block modules
 
 class Block(nn.Module):
@@ -158,6 +172,7 @@ class ResnetBlock(nn.Module):
         h = self.block1(x, scale_shift = scale_shift)
 
         h = self.block2(h)
+
         return h + self.res_conv(x)
 
 class LinearAttention(nn.Module):
@@ -213,18 +228,6 @@ 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,
@@ -235,7 +238,8 @@ class Unet(nn.Module):
         channels = 3,
         resnet_block_groups = 8,
         learned_variance = False,
-        sinusoidal_cond_mlp = True
+        learned_sinusoidal_cond = False,
+        learned_sinusoidal_dim = 16
     ):
         super().__init__()
 
@@ -255,17 +259,21 @@ class Unet(nn.Module):
 
         time_dim = dim * 4
 
-        self.sinusoidal_cond_mlp = sinusoidal_cond_mlp
+        self.learned_sinusoidal_cond = learned_sinusoidal_cond
 
-        if sinusoidal_cond_mlp:
-            self.time_mlp = nn.Sequential(
-                SinusoidalPosEmb(dim),
-                nn.Linear(dim, time_dim),
-                nn.GELU(),
-                nn.Linear(time_dim, time_dim)
-            )
+        if learned_sinusoidal_cond:
+            sinu_pos_emb = LearnedSinusoidalPosEmb(learned_sinusoidal_dim)
+            fourier_dim = learned_sinusoidal_dim + 1
         else:
-            self.time_mlp = MLP(1, time_dim)
+            sinu_pos_emb = SinusoidalPosEmb(dim)
+            fourier_dim = dim
+
+        self.time_mlp = nn.Sequential(
+            sinu_pos_emb,
+            nn.Linear(fourier_dim, time_dim),
+            nn.GELU(),
+            nn.Linear(time_dim, time_dim)
+        )
 
         # layers
 
@@ -277,10 +285,10 @@ class Unet(nn.Module):
             is_last = ind >= (num_resolutions - 1)
 
             self.downs.append(nn.ModuleList([
-                block_klass(dim_in, dim_out, time_emb_dim = time_dim),
-                block_klass(dim_out, dim_out, time_emb_dim = time_dim),
-                Residual(PreNorm(dim_out, LinearAttention(dim_out))),
-                Downsample(dim_out) if not is_last else nn.Identity()
+                block_klass(dim_in, dim_in, time_emb_dim = time_dim),
+                block_klass(dim_in, dim_in, time_emb_dim = time_dim),
+                Residual(PreNorm(dim_in, LinearAttention(dim_in))),
+                Downsample(dim_in, dim_out) if not is_last else nn.Conv2d(dim_in, dim_out, 3, padding = 1)
             ]))
 
         mid_dim = dims[-1]
@@ -292,31 +300,34 @@ class Unet(nn.Module):
             is_last = ind == (len(in_out) - 1)
 
             self.ups.append(nn.ModuleList([
-                block_klass(dim_out * 2, dim_in, time_emb_dim = time_dim),
-                block_klass(dim_in, dim_in, time_emb_dim = time_dim),
-                Residual(PreNorm(dim_in, LinearAttention(dim_in))),
-                Upsample(dim_in) if not is_last else nn.Identity()
+                block_klass(dim_out + dim_in, dim_out, time_emb_dim = time_dim),
+                block_klass(dim_out + dim_in, dim_out, time_emb_dim = time_dim),
+                Residual(PreNorm(dim_out, LinearAttention(dim_out))),
+                Upsample(dim_out, dim_in) if not is_last else  nn.Conv2d(dim_out, dim_in, 3, padding = 1)
             ]))
 
         default_out_dim = channels * (1 if not learned_variance else 2)
         self.out_dim = default(out_dim, default_out_dim)
 
-        self.final_conv = nn.Sequential(
-            block_klass(dim, dim),
-            nn.Conv2d(dim, self.out_dim, 1)
-        )
+        self.final_res_block = block_klass(dim * 2, dim, time_emb_dim = time_dim)
+        self.final_conv = nn.Conv2d(dim, self.out_dim, 1)
 
     def forward(self, x, time):
         x = self.init_conv(x)
+        r = x.clone()
+
         t = self.time_mlp(time)
 
         h = []
 
         for block1, block2, attn, downsample in self.downs:
             x = block1(x, t)
+            h.append(x)
+
             x = block2(x, t)
             x = attn(x)
             h.append(x)
+
             x = downsample(x)
 
         x = self.mid_block1(x, t)
@@ -326,10 +337,16 @@ class Unet(nn.Module):
         for block1, block2, attn, upsample in self.ups:
             x = torch.cat((x, h.pop()), dim = 1)
             x = block1(x, t)
+
+            x = torch.cat((x, h.pop()), dim = 1)
             x = block2(x, t)
             x = attn(x)
+
             x = upsample(x)
 
+        x = torch.cat((x, r), dim = 1)
+
+        x = self.final_res_block(x, t)
         return self.final_conv(x)
 
 # gaussian diffusion trainer class
@@ -352,7 +369,7 @@ def cosine_beta_schedule(timesteps, s = 0.008):
     """
     steps = timesteps + 1
     x = torch.linspace(0, timesteps, steps, dtype = torch.float64)
-    alphas_cumprod = torch.cos(((x / timesteps) + s) / (1 + s) * torch.pi * 0.5) ** 2
+    alphas_cumprod = torch.cos(((x / timesteps) + s) / (1 + s) * math.pi * 0.5) ** 2
     alphas_cumprod = alphas_cumprod / alphas_cumprod[0]
     betas = 1 - (alphas_cumprod[1:] / alphas_cumprod[:-1])
     return torch.clip(betas, 0, 0.999)
@@ -581,23 +598,22 @@ class Trainer(object):
         folder,
         *,
         ema_decay = 0.995,
-        image_size = 128,
         train_batch_size = 32,
         train_lr = 1e-4,
         train_num_steps = 100000,
         gradient_accumulate_every = 2,
         amp = False,
         step_start_ema = 2000,
-        update_ema_every = 10,
+        ema_update_every = 10,
         save_and_sample_every = 1000,
         results_folder = './results',
         augment_horizontal_flip = True
     ):
         super().__init__()
+        self.image_size = diffusion_model.image_size
+
         self.model = diffusion_model
-        self.ema = EMA(ema_decay)
-        self.ema_model = copy.deepcopy(self.model)
-        self.update_ema_every = update_ema_every
+        self.ema = EMA(diffusion_model, beta = ema_decay, update_every = ema_update_every)
 
         self.step_start_ema = step_start_ema
         self.save_and_sample_every = save_and_sample_every
@@ -607,9 +623,9 @@ class Trainer(object):
         self.gradient_accumulate_every = gradient_accumulate_every
         self.train_num_steps = train_num_steps
 
-        self.ds = Dataset(folder, image_size, augment_horizontal_flip = augment_horizontal_flip)
+        self.ds = Dataset(folder, self.image_size, augment_horizontal_flip = augment_horizontal_flip)
         self.dl = cycle(data.DataLoader(self.ds, batch_size = train_batch_size, shuffle = True, pin_memory = True, num_workers = cpu_count()))
-        self.opt = Adam(diffusion_model.parameters(), lr=train_lr)
+        self.opt = Adam(diffusion_model.parameters(), lr = train_lr)
 
         self.step = 0
 
@@ -619,22 +635,11 @@ class Trainer(object):
         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(),
+            'ema': self.ema.state_dict(),
             'scaler': self.scaler.state_dict()
         }
         torch.save(data, str(self.results_folder / f'model-{milestone}.pt'))
@@ -644,7 +649,7 @@ class Trainer(object):
 
         self.step = data['step']
         self.model.load_state_dict(data['model'])
-        self.ema_model.load_state_dict(data['ema'])
+        self.ema.load_state_dict(data['ema'])
         self.scaler.load_state_dict(data['scaler'])
 
     def train(self):
@@ -664,15 +669,15 @@ class Trainer(object):
                 self.scaler.update()
                 self.opt.zero_grad()
 
-                if self.step % self.update_ema_every == 0:
-                    self.step_ema()
+                self.ema.update()
 
                 if self.step != 0 and self.step % self.save_and_sample_every == 0:
-                    self.ema_model.eval()
+                    self.ema.ema_model.eval()
+                    with torch.no_grad():
+                        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.ema_model.sample(batch_size=n), batches))
 
-                    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)
                     utils.save_image(all_images, str(self.results_folder / f'sample-{milestone}.png'), nrow = 6)
                     self.save(milestone)

denoising_diffusion_pytorch/elucidated_diffusion.py

@@ -0,0 +1,222 @@
+from math import sqrt
+import torch
+from torch import nn, einsum
+import torch.nn.functional as F
+
+from tqdm import tqdm
+from einops import rearrange, repeat, reduce
+
+# 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
+
+# tensor helpers
+
+def log(t, eps = 1e-20):
+    return torch.log(t.clamp(min = eps))
+
+# 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
+
+# main class
+
+class ElucidatedDiffusion(nn.Module):
+    def __init__(
+        self,
+        net,
+        *,
+        image_size,
+        channels = 3,
+        num_sample_steps = 32, # number of sampling steps
+        sigma_min = 0.002,     # min noise level
+        sigma_max = 80,        # max noise level
+        sigma_data = 0.5,      # standard deviation of data distribution
+        rho = 7,               # controls the sampling schedule
+        P_mean = -1.2,         # mean of log-normal distribution from which noise is drawn for training
+        P_std = 1.2,           # standard deviation of log-normal distribution from which noise is drawn for training
+        S_churn = 80,          # parameters for stochastic sampling - depends on dataset, Table 5 in apper
+        S_tmin = 0.05,
+        S_tmax = 50,
+        S_noise = 1.003,
+    ):
+        super().__init__()
+        assert net.learned_sinusoidal_cond
+
+        self.net = net
+
+        # image dimensions
+
+        self.channels = channels
+        self.image_size = image_size
+
+        # parameters
+
+        self.sigma_min = sigma_min
+        self.sigma_max = sigma_max
+        self.sigma_data = sigma_data
+
+        self.rho = rho
+
+        self.P_mean = P_mean
+        self.P_std = P_std
+
+        self.num_sample_steps = num_sample_steps  # otherwise known as N in the paper
+
+        self.S_churn = S_churn
+        self.S_tmin = S_tmin
+        self.S_tmax = S_tmax
+        self.S_noise = S_noise
+
+    @property
+    def device(self):
+        return next(self.net.parameters()).device
+
+    # derived preconditioning params - Table 1
+
+    def c_skip(self, sigma):
+        return (self.sigma_data ** 2) / (sigma ** 2 + self.sigma_data ** 2)
+
+    def c_out(self, sigma):
+        return sigma * self.sigma_data * (self.sigma_data ** 2 + sigma ** 2) ** -0.5
+
+    def c_in(self, sigma):
+        return 1 * (sigma ** 2 + self.sigma_data ** 2) ** -0.5
+
+    def c_noise(self, sigma):
+        return log(sigma) * 0.25
+
+    # noise distribution
+
+    def noise_distribution(self, batch_size):
+        return (self.P_mean + self.P_std * torch.randn((batch_size,), device = self.device)).exp()
+
+    def loss_weight(self, sigma):
+        return (sigma ** 2 + self.sigma_data ** 2) * (sigma * self.sigma_data) ** -2
+
+    # sample schedule
+    # equation (5) in the paper
+
+    def sample_schedule(self, num_sample_steps = None):
+        num_sample_steps = default(num_sample_steps, self.num_sample_steps)
+
+        N = num_sample_steps
+        inv_rho = 1 / self.rho
+
+        steps = torch.arange(num_sample_steps, device = self.device, dtype = torch.float32)
+        sigmas = (self.sigma_max ** inv_rho + steps / (N - 1) * (self.sigma_min ** inv_rho - self.sigma_max ** inv_rho)) ** self.rho
+
+        sigmas = F.pad(sigmas, (0, 1), value = 0.) # last step is sigma value of 0.
+        return sigmas
+
+    # preconditioned network output
+    # equation (7) in the paper
+
+    def preconditioned_network_forward(self, noised_images, sigma, clamp = False):
+        batch, device = noised_images.shape[0], noised_images.device
+
+        if isinstance(sigma, float):
+            sigma = torch.full((batch,), sigma, device = device)
+
+        padded_sigma = rearrange(sigma, 'b -> b 1 1 1')
+
+        net_out = self.net(
+            self.c_in(padded_sigma) * noised_images,
+            self.c_noise(sigma)
+        )
+
+        out = self.c_skip(padded_sigma) * noised_images +  self.c_out(padded_sigma) * net_out
+
+        if clamp:
+            out = out.clamp(-1., 1.)
+
+        return out
+
+    # sampling
+
+    @torch.no_grad()
+    def sample(self, batch_size = 16, num_sample_steps = None, clamp = True):
+        num_sample_steps = default(num_sample_steps, self.num_sample_steps)
+
+        shape = (batch_size, self.channels, self.image_size, self.image_size)
+
+        # get the schedule, which is returned as (sigma, gamma) tuple, and pair up with the next sigma and gamma
+
+        sigmas = self.sample_schedule(num_sample_steps)
+
+        gammas = torch.where(
+            (sigmas >= self.S_tmin) & (sigmas <= self.S_tmax),
+            min(self.S_churn / num_sample_steps, sqrt(2) - 1),
+            0.
+        )
+
+        sigmas_and_gammas = list(zip(sigmas[:-1], sigmas[1:], gammas[:-1]))
+
+        # images is noise at the beginning
+
+        init_sigma = sigmas[0]
+
+        images = init_sigma * torch.randn(shape, device = self.device)
+
+        # gradually denoise
+
+        for sigma, sigma_next, gamma in tqdm(sigmas_and_gammas, desc = 'sampling time step'):
+            sigma, sigma_next, gamma = map(lambda t: t.item(), (sigma, sigma_next, gamma))
+
+            eps = self.S_noise * torch.randn(shape, device = self.device) # stochastic sampling
+
+            sigma_hat = sigma + gamma * sigma
+            images_hat = images + sqrt(sigma_hat ** 2 - sigma ** 2) * eps
+
+            model_output = self.preconditioned_network_forward(images_hat, sigma_hat, clamp = clamp)
+            denoised_over_sigma = (images_hat - model_output) / sigma_hat
+
+            images_next = images_hat + (sigma_next - sigma_hat) * denoised_over_sigma
+
+            # second order correction, if not the last timestep
+
+            if sigma_next != 0:
+                model_output_next = self.preconditioned_network_forward(images_next, sigma_next, clamp = clamp)
+                denoised_prime_over_sigma = (images_next - model_output_next) / sigma_next
+                images_next = images_hat + 0.5 * (sigma_next - sigma_hat) * (denoised_over_sigma + denoised_prime_over_sigma)
+
+            images = images_next
+
+        images = images.clamp(-1., 1.)
+        return unnormalize_to_zero_to_one(images)
+
+    # training
+
+    def forward(self, images):
+        batch_size, c, h, w, device, image_size, channels = *images.shape, images.device, self.image_size, self.channels
+
+        assert h == image_size and w == image_size, f'height and width of image must be {image_size}'
+        assert c == channels, 'mismatch of image channels'
+
+        images = normalize_to_neg_one_to_one(images)
+
+        sigmas = self.noise_distribution(batch_size)
+        padded_sigmas = rearrange(sigmas, 'b -> b 1 1 1')
+
+        noise = torch.randn_like(images)
+
+        noised_images = images + padded_sigmas * noise  # alphas are 1. in the paper
+
+        denoised = self.preconditioned_network_forward(noised_images, sigmas)
+
+        losses = F.mse_loss(denoised, images, reduction = 'none')
+        losses = reduce(losses, 'b ... -> b', 'mean')
+
+        losses = losses * self.loss_weight(sigmas)
+
+        return losses.mean()

setup.py

@@ -3,7 +3,7 @@ from setuptools import setup, find_packages
 setup(
   name = 'denoising-diffusion-pytorch',
   packages = find_packages(),
-  version = '0.19.1',
+  version = '0.23.3',
   license='MIT',
   description = 'Denoising Diffusion Probabilistic Models - Pytorch',
   author = 'Phil Wang',
@@ -16,6 +16,7 @@ setup(
   ],
   install_requires=[
     'einops',
+    'ema-pytorch',
     'pillow',
     'torch',
     'torchvision',