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pytorch-ts/pts/modules/gaussian_diffusion.py
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Kashif Rasul f2daf9c2b3 to numpy
2022-04-20 13:45:08 +02:00

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Python

from functools import partial
from inspect import isfunction
import numpy as np
import torch
from torch import nn, einsum
import torch.nn.functional as F
def default(val, d):
if val is not None:
return val
return d() if isfunction(d) else d
def extract(a, t, x_shape):
b, *_ = t.shape
out = a.gather(-1, t)
return out.reshape(b, *((1,) * (len(x_shape) - 1)))
def noise_like(shape, device, repeat=False):
repeat_noise = lambda: torch.randn((1, *shape[1:]), device=device).repeat(
shape[0], *((1,) * (len(shape) - 1))
)
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, timesteps, steps)
alphas_cumprod = np.cos(((x / timesteps) + 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, 0, 0.999)
class GaussianDiffusion(nn.Module):
def __init__(
self,
denoise_fn,
input_size,
beta_end=0.1,
diff_steps=100,
loss_type="l2",
betas=None,
beta_schedule="linear",
):
super().__init__()
self.denoise_fn = denoise_fn
self.input_size = input_size
self.__scale = None
if betas is not None:
betas = (
betas.detach().cpu().numpy()
if isinstance(betas, torch.Tensor)
else betas
)
else:
if beta_schedule == "linear":
betas = np.linspace(1e-4, beta_end, diff_steps)
elif beta_schedule == "quad":
betas = np.linspace(1e-4 ** 0.5, beta_end ** 0.5, diff_steps) ** 2
elif beta_schedule == "const":
betas = beta_end * np.ones(diff_steps)
elif beta_schedule == "jsd": # 1/T, 1/(T-1), 1/(T-2), ..., 1
betas = 1.0 / np.linspace(diff_steps, 1, diff_steps)
elif beta_schedule == "sigmoid":
betas = np.linspace(-6, 6, diff_steps)
betas = (beta_end - 1e-4) / (np.exp(-betas) + 1) + 1e-4
elif beta_schedule == "cosine":
betas = cosine_beta_schedule(diff_steps)
else:
raise NotImplementedError(beta_schedule)
alphas = 1.0 - betas
alphas_cumprod = np.cumprod(alphas, axis=0)
alphas_cumprod_prev = np.append(1.0, 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))
self.register_buffer("alphas_cumprod", to_torch(alphas_cumprod))
self.register_buffer("alphas_cumprod_prev", to_torch(alphas_cumprod_prev))
# calculations for diffusion q(x_t | x_{t-1}) and others
self.register_buffer("sqrt_alphas_cumprod", to_torch(np.sqrt(alphas_cumprod)))
self.register_buffer(
"sqrt_one_minus_alphas_cumprod", to_torch(np.sqrt(1.0 - alphas_cumprod))
)
self.register_buffer(
"log_one_minus_alphas_cumprod", to_torch(np.log(1.0 - alphas_cumprod))
)
self.register_buffer(
"sqrt_recip_alphas_cumprod", to_torch(np.sqrt(1.0 / alphas_cumprod))
)
self.register_buffer(
"sqrt_recipm1_alphas_cumprod", to_torch(np.sqrt(1.0 / alphas_cumprod - 1))
)
# calculations for posterior q(x_{t-1} | x_t, x_0)
posterior_variance = (
betas * (1.0 - alphas_cumprod_prev) / (1.0 - alphas_cumprod)
)
# above: equal to 1. / (1. / (1. - alpha_cumprod_tm1) + alpha_t / beta_t)
self.register_buffer("posterior_variance", to_torch(posterior_variance))
# below: log calculation clipped because the posterior variance is 0 at the beginning of the diffusion chain
self.register_buffer(
"posterior_log_variance_clipped",
to_torch(np.log(np.maximum(posterior_variance, 1e-20))),
)
self.register_buffer(
"posterior_mean_coef1",
to_torch(betas * np.sqrt(alphas_cumprod_prev) / (1.0 - alphas_cumprod)),
)
self.register_buffer(
"posterior_mean_coef2",
to_torch(
(1.0 - alphas_cumprod_prev) * np.sqrt(alphas) / (1.0 - alphas_cumprod)
),
)
@property
def scale(self):
return self.__scale
@scale.setter
def scale(self, scale):
self.__scale = scale
def q_mean_variance(self, x_start, t):
mean = extract(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start
variance = extract(1.0 - self.alphas_cumprod, t, x_start.shape)
log_variance = extract(self.log_one_minus_alphas_cumprod, t, x_start.shape)
return mean, variance, log_variance
def predict_start_from_noise(self, x_t, t, noise):
return (
extract(self.sqrt_recip_alphas_cumprod, t, x_t.shape) * x_t
- extract(self.sqrt_recipm1_alphas_cumprod, t, x_t.shape) * noise
)
def q_posterior(self, x_start, x_t, t):
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 p_mean_variance(self, x, cond, t, clip_denoised: bool):
x_recon = self.predict_start_from_noise(
x, t=t, noise=self.denoise_fn(x, t, cond=cond)
)
if clip_denoised:
x_recon.clamp_(-1.0, 1.0)
model_mean, posterior_variance, posterior_log_variance = self.q_posterior(
x_start=x_recon, x_t=x, t=t
)
return model_mean, posterior_variance, posterior_log_variance
@torch.no_grad()
def p_sample(self, x, cond, t, clip_denoised=False, repeat_noise=False):
b, *_, device = *x.shape, x.device
model_mean, _, model_log_variance = self.p_mean_variance(
x=x, cond=cond, t=t, clip_denoised=clip_denoised
)
noise = noise_like(x.shape, device, repeat_noise)
# 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
@torch.no_grad()
def p_sample_loop(self, shape, cond):
device = self.betas.device
b = shape[0]
img = torch.randn(shape, device=device)
for i in reversed(range(0, self.num_timesteps)):
img = self.p_sample(
img, cond, torch.full((b,), i, device=device, dtype=torch.long)
)
return img
@torch.no_grad()
def sample(self, sample_shape=torch.Size(), cond=None):
if cond is not None:
shape = cond.shape[:-1] + (self.input_size,)
# TODO reshape cond to (B*T, 1, -1)
else:
shape = sample_shape
x_hat = self.p_sample_loop(shape, cond) # TODO reshape x_hat to (B,T,-1)
if self.scale is not None:
x_hat *= self.scale
return x_hat
@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 reversed(range(0, 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))
return (
extract(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start
+ extract(self.sqrt_one_minus_alphas_cumprod, t, x_start.shape) * noise
)
def p_losses(self, x_start, cond, t, noise=None):
noise = default(noise, lambda: torch.randn_like(x_start))
x_noisy = self.q_sample(x_start=x_start, t=t, noise=noise)
x_recon = self.denoise_fn(x_noisy, t, cond=cond)
if self.loss_type == "l1":
loss = F.l1_loss(x_recon, noise)
elif self.loss_type == "l2":
loss = F.mse_loss(x_recon, noise)
elif self.loss_type == "huber":
loss = F.smooth_l1_loss(x_recon, noise)
else:
raise NotImplementedError()
return loss
def log_prob(self, x, cond, *args, **kwargs):
if self.scale is not None:
x /= self.scale
B, T, _ = x.shape
time = torch.randint(0, self.num_timesteps, (B * T,), device=x.device).long()
loss = self.p_losses(
x.reshape(B * T, 1, -1), cond.reshape(B * T, 1, -1), time, *args, **kwargs
)
return loss