""" Simplified from https://github.com/openai/guided-diffusion/blob/main/guided_diffusion/gaussian_diffusion.py. """ import math import numpy as np import torch as th def _warmup_beta(beta_start, beta_end, num_diffusion_timesteps, warmup_frac): betas = beta_end * np.ones(num_diffusion_timesteps, dtype=np.float64) warmup_time = int(num_diffusion_timesteps * warmup_frac) betas[:warmup_time] = np.linspace(beta_start, beta_end, warmup_time, dtype=np.float64) return betas def get_beta_schedule(beta_schedule, *, beta_start, beta_end, num_diffusion_timesteps): """ This is the deprecated API for creating beta schedules. See get_named_beta_schedule() for the new library of schedules. """ if beta_schedule == "quad": betas = ( np.linspace( beta_start ** 0.5, beta_end ** 0.5, num_diffusion_timesteps, dtype=np.float64, ) ** 2 ) elif beta_schedule == "linear": betas = np.linspace(beta_start, beta_end, num_diffusion_timesteps, dtype=np.float64) elif beta_schedule == "warmup10": betas = _warmup_beta(beta_start, beta_end, num_diffusion_timesteps, 0.1) elif beta_schedule == "warmup50": betas = _warmup_beta(beta_start, beta_end, num_diffusion_timesteps, 0.5) elif beta_schedule == "const": betas = beta_end * np.ones(num_diffusion_timesteps, dtype=np.float64) elif beta_schedule == "jsd": # 1/T, 1/(T-1), 1/(T-2), ..., 1 betas = 1.0 / np.linspace( num_diffusion_timesteps, 1, num_diffusion_timesteps, dtype=np.float64 ) else: raise NotImplementedError(beta_schedule) assert betas.shape == (num_diffusion_timesteps,) return betas def get_named_beta_schedule(schedule_name, num_diffusion_timesteps): """ Get a pre-defined beta schedule for the given name. The beta schedule library consists of beta schedules which remain similar in the limit of num_diffusion_timesteps. Beta schedules may be added, but should not be removed or changed once they are committed to maintain backwards compatibility. """ if schedule_name == "linear": # Linear schedule from Ho et al, extended to work for any number of # diffusion steps. scale = 1000 / num_diffusion_timesteps return get_beta_schedule( "linear", beta_start=scale * 0.0001, beta_end=scale * 0.02, num_diffusion_timesteps=num_diffusion_timesteps, ) elif schedule_name == "squaredcos_cap_v2": return betas_for_alpha_bar( num_diffusion_timesteps, lambda t: math.cos((t + 0.008) / 1.008 * math.pi / 2) ** 2, ) else: raise NotImplementedError(f"unknown beta schedule: {schedule_name}") def betas_for_alpha_bar(num_diffusion_timesteps, alpha_bar, max_beta=0.999): """ Create a beta schedule that discretizes the given alpha_t_bar function, which defines the cumulative product of (1-beta) over time from t = [0,1]. :param num_diffusion_timesteps: the number of betas to produce. :param alpha_bar: a lambda that takes an argument t from 0 to 1 and produces the cumulative product of (1-beta) up to that part of the diffusion process. :param max_beta: the maximum beta to use; use values lower than 1 to prevent singularities. """ betas = [] for i in range(num_diffusion_timesteps): t1 = i / num_diffusion_timesteps t2 = (i + 1) / num_diffusion_timesteps betas.append(min(1 - alpha_bar(t2) / alpha_bar(t1), max_beta)) return np.array(betas) class GaussianDiffusion: """ Utilities for training and sampling diffusion models. Original ported from this codebase: https://github.com/hojonathanho/diffusion/blob/1e0dceb3b3495bbe19116a5e1b3596cd0706c543/diffusion_tf/diffusion_utils_2.py#L42 :param betas: a 1-D numpy array of betas for each diffusion timestep, starting at T and going to 1. """ def __init__( self, *, betas, ): # Use float64 for accuracy. betas = np.array(betas, dtype=np.float64) self.betas = betas assert len(betas.shape) == 1, "betas must be 1-D" assert (betas > 0).all() and (betas <= 1).all() self.num_timesteps = int(betas.shape[0]) alphas = 1.0 - betas self.alphas_cumprod = np.cumprod(alphas, axis=0) self.alphas_cumprod_prev = np.append(1.0, self.alphas_cumprod[:-1]) self.alphas_cumprod_next = np.append(self.alphas_cumprod[1:], 0.0) assert self.alphas_cumprod_prev.shape == (self.num_timesteps,) # calculations for diffusion q(x_t | x_{t-1}) and others self.sqrt_alphas_cumprod = np.sqrt(self.alphas_cumprod) self.sqrt_one_minus_alphas_cumprod = np.sqrt(1.0 - self.alphas_cumprod) self.log_one_minus_alphas_cumprod = np.log(1.0 - self.alphas_cumprod) self.sqrt_recip_alphas_cumprod = np.sqrt(1.0 / self.alphas_cumprod) self.sqrt_recipm1_alphas_cumprod = np.sqrt(1.0 / self.alphas_cumprod - 1) # calculations for posterior q(x_{t-1} | x_t, x_0) self.posterior_variance = ( betas * (1.0 - self.alphas_cumprod_prev) / (1.0 - self.alphas_cumprod) ) # below: log calculation clipped because the posterior variance is 0 at the beginning of the diffusion chain self.posterior_log_variance_clipped = np.log( np.append(self.posterior_variance[1], self.posterior_variance[1:]) ) self.posterior_mean_coef1 = ( betas * np.sqrt(self.alphas_cumprod_prev) / (1.0 - self.alphas_cumprod) ) self.posterior_mean_coef2 = ( (1.0 - self.alphas_cumprod_prev) * np.sqrt(alphas) / (1.0 - self.alphas_cumprod) ) def q_mean_variance(self, x_start, t): """ Get the distribution q(x_t | x_0). :param x_start: the [N x C x ...] tensor of noiseless inputs. :param t: the number of diffusion steps (minus 1). Here, 0 means one step. :return: A tuple (mean, variance, log_variance), all of x_start's shape. """ mean = _extract_into_tensor(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start variance = _extract_into_tensor(1.0 - self.alphas_cumprod, t, x_start.shape) log_variance = _extract_into_tensor(self.log_one_minus_alphas_cumprod, t, x_start.shape) return mean, variance, log_variance def q_sample(self, x_start, t, noise=None): """ Diffuse the data for a given number of diffusion steps. In other words, sample from q(x_t | x_0). :param x_start: the initial data batch. :param t: the number of diffusion steps (minus 1). Here, 0 means one step. :param noise: if specified, the split-out normal noise. :return: A noisy version of x_start. """ if noise is None: noise = th.randn_like(x_start) assert noise.shape == x_start.shape return ( _extract_into_tensor(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start + _extract_into_tensor(self.sqrt_one_minus_alphas_cumprod, t, x_start.shape) * noise ) 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) """ assert x_start.shape == x_t.shape posterior_mean = ( _extract_into_tensor(self.posterior_mean_coef1, t, x_t.shape) * x_start + _extract_into_tensor(self.posterior_mean_coef2, t, x_t.shape) * x_t ) posterior_variance = _extract_into_tensor(self.posterior_variance, t, x_t.shape) posterior_log_variance_clipped = _extract_into_tensor( self.posterior_log_variance_clipped, t, x_t.shape ) assert ( posterior_mean.shape[0] == posterior_variance.shape[0] == posterior_log_variance_clipped.shape[0] == x_start.shape[0] ) return posterior_mean, posterior_variance, posterior_log_variance_clipped def p_mean_variance(self, model, x, t, clip_denoised=True, denoised_fn=None, model_kwargs=None): """ Apply the model to get p(x_{t-1} | x_t), as well as a prediction of the initial x, x_0. :param model: the model, which takes a signal and a batch of timesteps as input. :param x: the [N x C x ...] tensor at time t. :param t: a 1-D Tensor of timesteps. :param clip_denoised: if True, clip the denoised signal into [-1, 1]. :param denoised_fn: if not None, a function which applies to the x_start prediction before it is used to sample. Applies before clip_denoised. :param model_kwargs: if not None, a dict of extra keyword arguments to pass to the model. This can be used for conditioning. :return: a dict with the following keys: - 'mean': the model mean output. - 'variance': the model variance output. - 'log_variance': the log of 'variance'. - 'pred_xstart': the prediction for x_0. """ if model_kwargs is None: model_kwargs = {} B, C = x.shape[:2] assert t.shape == (B,) model_output = model(x, t, **model_kwargs) if isinstance(model_output, tuple): model_output, extra = model_output else: extra = None assert model_output.shape == (B, C * 2, *x.shape[2:]) model_output, model_var_values = th.split(model_output, C, dim=1) min_log = _extract_into_tensor(self.posterior_log_variance_clipped, t, x.shape) max_log = _extract_into_tensor(np.log(self.betas), t, x.shape) # The model_var_values is [-1, 1] for [min_var, max_var]. frac = (model_var_values + 1) / 2 model_log_variance = frac * max_log + (1 - frac) * min_log model_variance = th.exp(model_log_variance) def process_xstart(x): if denoised_fn is not None: x = denoised_fn(x) if clip_denoised: return x.clamp(-1, 1) return x pred_xstart = process_xstart(self._predict_xstart_from_eps(x_t=x, t=t, eps=model_output)) model_mean, _, _ = self.q_posterior_mean_variance(x_start=pred_xstart, x_t=x, t=t) assert model_mean.shape == model_log_variance.shape == pred_xstart.shape == x.shape return { "mean": model_mean, "variance": model_variance, "log_variance": model_log_variance, "pred_xstart": pred_xstart, "extra": extra, } def _predict_xstart_from_eps(self, x_t, t, eps): assert x_t.shape == eps.shape return ( _extract_into_tensor(self.sqrt_recip_alphas_cumprod, t, x_t.shape) * x_t - _extract_into_tensor(self.sqrt_recipm1_alphas_cumprod, t, x_t.shape) * eps ) def _predict_eps_from_xstart(self, x_t, t, pred_xstart): return ( _extract_into_tensor(self.sqrt_recip_alphas_cumprod, t, x_t.shape) * x_t - pred_xstart ) / _extract_into_tensor(self.sqrt_recipm1_alphas_cumprod, t, x_t.shape) def condition_mean(self, cond_fn, p_mean_var, x, t, model_kwargs=None): """ Compute the mean for the previous step, given a function cond_fn that computes the gradient of a conditional log probability with respect to x. In particular, cond_fn computes grad(log(p(y|x))), and we want to condition on y. This uses the conditioning strategy from Sohl-Dickstein et al. (2015). """ gradient = cond_fn(x, t, **model_kwargs) new_mean = p_mean_var["mean"].float() + p_mean_var["variance"] * gradient.float() return new_mean def condition_score(self, cond_fn, p_mean_var, x, t, model_kwargs=None): """ Compute what the p_mean_variance output would have been, should the model's score function be conditioned by cond_fn. See condition_mean() for details on cond_fn. Unlike condition_mean(), this instead uses the conditioning strategy from Song et al (2020). """ alpha_bar = _extract_into_tensor(self.alphas_cumprod, t, x.shape) eps = self._predict_eps_from_xstart(x, t, p_mean_var["pred_xstart"]) eps = eps - (1 - alpha_bar).sqrt() * cond_fn(x, t, **model_kwargs) out = p_mean_var.copy() out["pred_xstart"] = self._predict_xstart_from_eps(x, t, eps) out["mean"], _, _ = self.q_posterior_mean_variance(x_start=out["pred_xstart"], x_t=x, t=t) return out def p_sample( self, model, x, t, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, ): """ Sample x_{t-1} from the model at the given timestep. :param model: the model to sample from. :param x: the current tensor at x_{t-1}. :param t: the value of t, starting at 0 for the first diffusion step. :param clip_denoised: if True, clip the x_start prediction to [-1, 1]. :param denoised_fn: if not None, a function which applies to the x_start prediction before it is used to sample. :param cond_fn: if not None, this is a gradient function that acts similarly to the model. :param model_kwargs: if not None, a dict of extra keyword arguments to pass to the model. This can be used for conditioning. :return: a dict containing the following keys: - 'sample': a random sample from the model. - 'pred_xstart': a prediction of x_0. """ out = self.p_mean_variance( model, x, t, clip_denoised=clip_denoised, denoised_fn=denoised_fn, model_kwargs=model_kwargs, ) noise = th.randn_like(x) nonzero_mask = ( (t != 0).float().view(-1, *([1] * (len(x.shape) - 1))) ) # no noise when t == 0 if cond_fn is not None: out["mean"] = self.condition_mean(cond_fn, out, x, t, model_kwargs=model_kwargs) sample = out["mean"] + nonzero_mask * th.exp(0.5 * out["log_variance"]) * noise return {"sample": sample, "pred_xstart": out["pred_xstart"]} def p_sample_loop( self, model, shape, noise=None, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, device=None, progress=False, ): """ Generate samples from the model. :param model: the model module. :param shape: the shape of the samples, (N, C, H, W). :param noise: if specified, the noise from the encoder to sample. Should be of the same shape as `shape`. :param clip_denoised: if True, clip x_start predictions to [-1, 1]. :param denoised_fn: if not None, a function which applies to the x_start prediction before it is used to sample. :param cond_fn: if not None, this is a gradient function that acts similarly to the model. :param model_kwargs: if not None, a dict of extra keyword arguments to pass to the model. This can be used for conditioning. :param device: if specified, the device to create the samples on. If not specified, use a model parameter's device. :param progress: if True, show a tqdm progress bar. :return: a non-differentiable batch of samples. """ final = None for sample in self.p_sample_loop_progressive( model, shape, noise=noise, clip_denoised=clip_denoised, denoised_fn=denoised_fn, cond_fn=cond_fn, model_kwargs=model_kwargs, device=device, progress=progress, ): final = sample return final["sample"] def p_sample_loop_progressive( self, model, shape, noise=None, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, device=None, progress=False, ): """ Generate samples from the model and yield intermediate samples from each timestep of diffusion. Arguments are the same as p_sample_loop(). Returns a generator over dicts, where each dict is the return value of p_sample(). """ if device is None: device = next(model.parameters()).device assert isinstance(shape, (tuple, list)) if noise is not None: img = noise else: img = th.randn(*shape, device=device) indices = list(range(self.num_timesteps))[::-1] if progress: # Lazy import so that we don't depend on tqdm. from tqdm.auto import tqdm indices = tqdm(indices) for i in indices: t = th.tensor([i] * shape[0], device=device) with th.no_grad(): out = self.p_sample( model, img, t, clip_denoised=clip_denoised, denoised_fn=denoised_fn, cond_fn=cond_fn, model_kwargs=model_kwargs, ) yield out img = out["sample"] def ddim_sample( self, model, x, t, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, eta=0.0, ): """ Sample x_{t-1} from the model using DDIM. Same usage as p_sample(). """ out = self.p_mean_variance( model, x, t, clip_denoised=clip_denoised, denoised_fn=denoised_fn, model_kwargs=model_kwargs, ) if cond_fn is not None: out = self.condition_score(cond_fn, out, x, t, model_kwargs=model_kwargs) # Usually our model outputs epsilon, but we re-derive it # in case we used x_start or x_prev prediction. eps = self._predict_eps_from_xstart(x, t, out["pred_xstart"]) alpha_bar = _extract_into_tensor(self.alphas_cumprod, t, x.shape) alpha_bar_prev = _extract_into_tensor(self.alphas_cumprod_prev, t, x.shape) sigma = ( eta * th.sqrt((1 - alpha_bar_prev) / (1 - alpha_bar)) * th.sqrt(1 - alpha_bar / alpha_bar_prev) ) # Equation 12. noise = th.randn_like(x) mean_pred = ( out["pred_xstart"] * th.sqrt(alpha_bar_prev) + th.sqrt(1 - alpha_bar_prev - sigma ** 2) * eps ) nonzero_mask = ( (t != 0).float().view(-1, *([1] * (len(x.shape) - 1))) ) # no noise when t == 0 sample = mean_pred + nonzero_mask * sigma * noise return {"sample": sample, "pred_xstart": out["pred_xstart"]} def ddim_reverse_sample( self, model, x, t, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, eta=0.0, ): """ Sample x_{t+1} from the model using DDIM reverse ODE. """ assert eta == 0.0, "Reverse ODE only for deterministic path" out = self.p_mean_variance( model, x, t, clip_denoised=clip_denoised, denoised_fn=denoised_fn, model_kwargs=model_kwargs, ) if cond_fn is not None: out = self.condition_score(cond_fn, out, x, t, model_kwargs=model_kwargs) # Usually our model outputs epsilon, but we re-derive it # in case we used x_start or x_prev prediction. eps = ( _extract_into_tensor(self.sqrt_recip_alphas_cumprod, t, x.shape) * x - out["pred_xstart"] ) / _extract_into_tensor(self.sqrt_recipm1_alphas_cumprod, t, x.shape) alpha_bar_next = _extract_into_tensor(self.alphas_cumprod_next, t, x.shape) # Equation 12. reversed mean_pred = out["pred_xstart"] * th.sqrt(alpha_bar_next) + th.sqrt(1 - alpha_bar_next) * eps return {"sample": mean_pred, "pred_xstart": out["pred_xstart"]} def ddim_sample_loop( self, model, shape, noise=None, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, device=None, progress=False, eta=0.0, ): """ Generate samples from the model using DDIM. Same usage as p_sample_loop(). """ final = None for sample in self.ddim_sample_loop_progressive( model, shape, noise=noise, clip_denoised=clip_denoised, denoised_fn=denoised_fn, cond_fn=cond_fn, model_kwargs=model_kwargs, device=device, progress=progress, eta=eta, ): final = sample return final["sample"] def ddim_sample_loop_progressive( self, model, shape, noise=None, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None, device=None, progress=False, eta=0.0, ): """ Use DDIM to sample from the model and yield intermediate samples from each timestep of DDIM. Same usage as p_sample_loop_progressive(). """ if device is None: device = next(model.parameters()).device assert isinstance(shape, (tuple, list)) if noise is not None: img = noise else: img = th.randn(*shape, device=device) indices = list(range(self.num_timesteps))[::-1] if progress: # Lazy import so that we don't depend on tqdm. from tqdm.auto import tqdm indices = tqdm(indices) for i in indices: t = th.tensor([i] * shape[0], device=device) with th.no_grad(): out = self.ddim_sample( model, img, t, clip_denoised=clip_denoised, denoised_fn=denoised_fn, cond_fn=cond_fn, model_kwargs=model_kwargs, eta=eta, ) yield out img = out["sample"] def _extract_into_tensor(arr, timesteps, broadcast_shape): """ Extract values from a 1-D numpy array for a batch of indices. :param arr: the 1-D numpy array. :param timesteps: a tensor of indices into the array to extract. :param broadcast_shape: a larger shape of K dimensions with the batch dimension equal to the length of timesteps. :return: a tensor of shape [batch_size, 1, ...] where the shape has K dims. """ res = th.from_numpy(arr).to(device=timesteps.device)[timesteps].float() while len(res.shape) < len(broadcast_shape): res = res[..., None] return res + th.zeros(broadcast_shape, device=timesteps.device)