make sure predicted mean is actually detached for all of the kl loss calculations

denoising_diffusion_pytorch/__init__.py

@@ -1 +1,2 @@
 from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, Unet, Trainer
+from denoising_diffusion_pytorch.learned_gaussian_diffusion import LearnedGaussianDiffusion

denoising_diffusion_pytorch/denoising_diffusion_pytorch.py

@@ -40,6 +40,12 @@ def num_to_groups(num, divisor):
         arr.append(remainder)
     return arr
 
+def normalize_to_neg_one_to_one(img):
+    return img * 2 - 1
+
+def unnormalize_to_zero_to_one(t):
+    return (t + 1) * 0.5
+
 # small helper modules
 
 class EMA():
@@ -204,7 +210,8 @@ class Unet(nn.Module):
         dim_mults=(1, 2, 4, 8),
         channels = 3,
         with_time_emb = True,
-        resnet_block_groups = 8
+        resnet_block_groups = 8,
+        learned_variance = False
     ):
         super().__init__()
 
@@ -265,10 +272,12 @@ class Unet(nn.Module):
                 Upsample(dim_in) if not is_last else nn.Identity()
             ]))
 
-        out_dim = default(out_dim, channels)
+        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, out_dim, 1)
+            nn.Conv2d(dim, self.out_dim, 1)
         )
 
     def forward(self, x, time):
@@ -320,7 +329,7 @@ def cosine_beta_schedule(timesteps, s = 0.008):
     alphas_cumprod = torch.cos(((x / timesteps) + s) / (1 + s) * torch.pi * 0.5) ** 2
     alphas_cumprod = alphas_cumprod / alphas_cumprod[0]
     betas = 1 - (alphas_cumprod[1:] / alphas_cumprod[:-1])
-    return torch.clip(betas, 0, 0.9999)
+    return torch.clip(betas, 0, 0.999)
 
 class GaussianDiffusion(nn.Module):
     def __init__(
@@ -333,6 +342,8 @@ class GaussianDiffusion(nn.Module):
         loss_type = 'l1'
     ):
         super().__init__()
+        assert not (type(self) == GaussianDiffusion and denoise_fn.channels != denoise_fn.out_dim)
+
         self.channels = channels
         self.image_size = image_size
         self.denoise_fn = denoise_fn
@@ -457,6 +468,15 @@ class GaussianDiffusion(nn.Module):
             extract(self.sqrt_one_minus_alphas_cumprod, t, x_start.shape) * noise
         )
 
+    @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_losses(self, x_start, t, noise = None):
         b, c, h, w = x_start.shape
         noise = default(noise, lambda: torch.randn_like(x_start))
@@ -464,13 +484,7 @@ class GaussianDiffusion(nn.Module):
         x_noisy = self.q_sample(x_start=x_start, t=t, noise=noise)
         x_recon = self.denoise_fn(x_noisy, t)
 
-        if self.loss_type == 'l1':
-            loss = (noise - x_recon).abs().mean()
-        elif self.loss_type == 'l2':
-            loss = F.mse_loss(noise, x_recon)
-        else:
-            raise NotImplementedError()
-
+        loss = self.loss_fn(noise, x_recon)
         return loss
 
     def forward(self, x, *args, **kwargs):
@@ -493,7 +507,7 @@ class Dataset(data.Dataset):
             transforms.RandomHorizontalFlip(),
             transforms.CenterCrop(image_size),
             transforms.ToTensor(),
-            transforms.Lambda(lambda t: (t * 2) - 1)
+            transforms.Lambda(normalize_to_neg_one_to_one)
         ])
 
     def __len__(self):
@@ -597,11 +611,13 @@ class Trainer(object):
                 self.step_ema()
 
             if self.step != 0 and self.step % self.save_and_sample_every == 0:
+                self.ema_model.eval()
+
                 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
+                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)
 

denoising_diffusion_pytorch/learned_gaussian_diffusion.py

@@ -0,0 +1,151 @@
+import torch
+from math import pi, sqrt, log as ln
+from inspect import isfunction
+from torch import nn, einsum
+from einops import rearrange
+
+from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, extract, unnormalize_to_zero_to_one
+
+# constants
+
+NAT = 1. / ln(2)
+
+# helper functions
+
+def exists(x):
+    return x is not None
+
+def default(val, d):
+    if exists(val):
+        return val
+    return d() if isfunction(d) else d
+
+# tensor helpers
+
+def log(t, eps = 1e-12):
+    return torch.log(t.clamp(min = eps))
+
+def meanflat(x):
+    return x.mean(dim = tuple(range(1, len(x.shape))))
+
+def normal_kl(mean1, logvar1, mean2, logvar2):
+    """
+    KL divergence between normal distributions parameterized by mean and log-variance.
+    """
+    return 0.5 * (-1.0 + logvar2 - logvar1 + torch.exp(logvar1 - logvar2) + ((mean1 - mean2) ** 2) * torch.exp(-logvar2))
+
+def approx_standard_normal_cdf(x):
+    return 0.5 * (1.0 + torch.tanh(sqrt(2.0 / pi) * (x + 0.044715 * (x ** 3))))
+
+def discretized_gaussian_log_likelihood(x, *, means, log_scales, thres = 0.999):
+    assert x.shape == means.shape == log_scales.shape
+
+    centered_x = x - means
+    inv_stdv = torch.exp(-log_scales)
+    plus_in = inv_stdv * (centered_x + 1. / 255.)
+    cdf_plus = approx_standard_normal_cdf(plus_in)
+    min_in = inv_stdv * (centered_x - 1. / 255.)
+    cdf_min = approx_standard_normal_cdf(min_in)
+    log_cdf_plus = log(cdf_plus)
+    log_one_minus_cdf_min = log(1. - cdf_min)
+    cdf_delta = cdf_plus - cdf_min
+
+    log_probs = torch.where(x < -thres,
+        log_cdf_plus,
+        torch.where(x > thres,
+            log_one_minus_cdf_min,
+            log(cdf_delta)))
+
+    return log_probs
+
+# https://arxiv.org/abs/2102.09672
+
+# i thought the results were questionable, if one were to focus only on FID
+# but may as well get this in here for others to try, as GLIDE is using it (and DALL-E2 first stage of cascade)
+# gaussian diffusion for learned variance + hybrid eps simple + vb loss
+
+class LearnedGaussianDiffusion(GaussianDiffusion):
+    def __init__(
+        self,
+        denoise_fn,
+        vb_loss_weight = 0.001,  # lambda was 0.001 in the paper
+        *args,
+        **kwargs
+    ):
+        super().__init__(denoise_fn, *args, **kwargs)
+        assert denoise_fn.out_dim == (denoise_fn.channels * 2), 'dimension out of unet must be twice the number of channels for learned variance - you can also set the `learned_variance` keyword argument on the Unet to be `True`'
+        self.vb_loss_weight = vb_loss_weight
+
+    def q_posterior_mean_variance(self, x_start, x_t, t):
+        """
+        Compute the mean and variance of the diffusion posterior q(x_{t-1} | x_t, x_0)
+        """
+        posterior_mean = (
+            extract(self.posterior_mean_coef1, t, x_t.shape) * x_start +
+            extract(self.posterior_mean_coef2, t, x_t.shape) * x_t
+        )
+        posterior_variance = extract(self.posterior_variance, t, x_t.shape)
+        posterior_log_variance_clipped = extract(self.posterior_log_variance_clipped, t, x_t.shape)
+        return posterior_mean, posterior_variance, posterior_log_variance_clipped
+
+    def predict_xstart_from_xprev(self, x_t, t, xprev):
+        # (xprev - coef2*x_t) / coef1
+        return (
+            extract(1. / self.posterior_mean_coef1, t, x_t.shape) * xprev -
+            extract(self.posterior_mean_coef2 / self.posterior_mean_coef1, t, x_t.shape) * x_t
+        )
+
+    def p_mean_variance(self, *, x, t, clip_denoised, model_output = None):
+        model_output = default(model_output, lambda: self.denoise_fn(x, t))
+        pred_noise, var_interp_frac_unnormalized = model_output.chunk(2, dim = 1)
+
+        min_log = extract(self.posterior_log_variance_clipped, t, x.shape)
+        max_log = extract(torch.log(self.betas), t, x.shape)
+        var_interp_frac = unnormalize_to_zero_to_one(var_interp_frac_unnormalized)
+
+        model_log_variance = var_interp_frac * max_log + (1 - var_interp_frac) * min_log
+        model_variance = model_log_variance.exp()
+
+        x_start = self.predict_start_from_noise(x, t, pred_noise)
+
+        if clip_denoised:
+            x_start.clamp_(-1., 1.)
+
+        model_mean, _, _ = self.q_posterior(x_start, x, t)
+
+        return model_mean, model_variance, model_log_variance
+
+    def p_losses(self, x_start, t, noise = None, clip_denoised = False):
+        noise = default(noise, lambda: torch.randn_like(x_start))
+        x_t = self.q_sample(x_start = x_start, t = t, noise = noise)
+
+        # model output
+
+        model_output = self.denoise_fn(x_t, t)
+
+        # calculating kl loss for learned variance (interpolation)
+
+        true_mean, _, true_log_variance_clipped = self.q_posterior_mean_variance(x_start = x_start, x_t = x_t, t = t)
+        model_mean, _, model_log_variance = self.p_mean_variance(x = x_t, t = t, clip_denoised = clip_denoised, model_output = model_output)
+
+        # kl loss with detached model predicted mean, for stability reasons as in paper
+
+        detached_model_mean = model_mean.detach()
+
+        kl = normal_kl(true_mean, true_log_variance_clipped, detached_model_mean, model_log_variance)
+        kl = meanflat(kl) * NAT
+
+        decoder_nll = -discretized_gaussian_log_likelihood(x_start, means = detached_model_mean, log_scales = 0.5 * model_log_variance)
+        decoder_nll = meanflat(decoder_nll) * NAT
+
+        # at the first timestep return the decoder NLL, otherwise return KL(q(x_{t-1}|x_t,x_0) || p(x_{t-1}|x_t))
+
+        vb_losses = torch.where(t == 0, decoder_nll, kl)
+
+        # simple loss - predicting noise, x0, or x_prev
+
+        pred_noise, _ = model_output.chunk(2, dim = 1)
+
+        simple_losses = self.loss_fn(pred_noise, noise)
+
+        return simple_losses + vb_losses.mean() * self.vb_loss_weight

setup.py

@@ -3,7 +3,7 @@ from setuptools import setup, find_packages
 setup(
   name = 'denoising-diffusion-pytorch',
   packages = find_packages(),
-  version = '0.12.1',
+  version = '0.14.2',
   license='MIT',
   description = 'Denoising Diffusion Probabilistic Models - Pytorch',
   author = 'Phil Wang',