From 55cc97ce72199cd49a6fa8678dcdb9c2676ee959 Mon Sep 17 00:00:00 2001 From: "Esmail A.Gumaan" <113830751+Esmail-ibraheem@users.noreply.github.com> Date: Sun, 14 Apr 2024 09:36:12 +0300 Subject: [PATCH] Create Gaussing_Diffusion.py --- Gaussing_Diffusion.py | 731 ++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 731 insertions(+) create mode 100644 Gaussing_Diffusion.py diff --git a/Gaussing_Diffusion.py b/Gaussing_Diffusion.py new file mode 100644 index 0000000..41853f8 --- /dev/null +++ b/Gaussing_Diffusion.py @@ -0,0 +1,731 @@ + +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, + model_mean_type, + model_var_type, + loss_type + ): + + self.model_mean_type = model_mean_type + self.model_var_type = model_var_type + self.loss_type = loss_type + + # 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:]) + ) if len(self.posterior_variance) > 1 else np.array([]) + + 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 = torch.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 + + if self.model_var_type in [ModelVarType.LEARNED, ModelVarType.LEARNED_RANGE]: + assert model_output.shape == (B, C * 2, *x.shape[2:]) + model_output, model_var_values = torch.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 = torch.exp(model_log_variance) + else: + model_variance, model_log_variance = { + # for fixedlarge, we set the initial (log-)variance like so + # to get a better decoder log likelihood. + ModelVarType.FIXED_LARGE: ( + np.append(self.posterior_variance[1], self.betas[1:]), + np.log(np.append(self.posterior_variance[1], self.betas[1:])), + ), + ModelVarType.FIXED_SMALL: ( + self.posterior_variance, + self.posterior_log_variance_clipped, + ), + }[self.model_var_type] + model_variance = _extract_into_tensor(model_variance, t, x.shape) + model_log_variance = _extract_into_tensor(model_log_variance, t, x.shape) + + def process_xstart(x): + if denoised_fn is not None: + x = denoised_fn(x) + if clip_denoised: + return x.clamp(-1, 1) + return x + + if self.model_mean_type == ModelMeanType.START_X: + pred_xstart = process_xstart(model_output) + else: + 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 = torch.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 * torch.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 = torch.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 = torch.tensor([i] * shape[0], device=device) + with torch.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 + * torch.sqrt((1 - alpha_bar_prev) / (1 - alpha_bar)) + * torch.sqrt(1 - alpha_bar / alpha_bar_prev) + ) + # Equation 12. + noise = torch.randn_like(x) + mean_pred = ( + out["pred_xstart"] * torch.sqrt(alpha_bar_prev) + + torch.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"] * torch.sqrt(alpha_bar_next) + torch.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 = torch.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 = torch.tensor([i] * shape[0], device=device) + with torch.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 _vb_terms_bpd( + self, model, x_start, x_t, t, clip_denoised=True, model_kwargs=None + ): + """ + Get a term for the variational lower-bound. + The resulting units are bits (rather than nats, as one might expect). + This allows for comparison to other papers. + :return: a dict with the following keys: + - 'output': a shape [N] tensor of NLLs or KLs. + - 'pred_xstart': the x_0 predictions. + """ + true_mean, _, true_log_variance_clipped = self.q_posterior_mean_variance( + x_start=x_start, x_t=x_t, t=t + ) + out = self.p_mean_variance( + model, x_t, t, clip_denoised=clip_denoised, model_kwargs=model_kwargs + ) + kl = normal_kl( + true_mean, true_log_variance_clipped, out["mean"], out["log_variance"] + ) + kl = mean_flat(kl) / np.log(2.0) + + decoder_nll = -discretized_gaussian_log_likelihood( + x_start, means=out["mean"], log_scales=0.5 * out["log_variance"] + ) + assert decoder_nll.shape == x_start.shape + decoder_nll = mean_flat(decoder_nll) / np.log(2.0) + + # 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)) + output = torch.where((t == 0), decoder_nll, kl) + return {"output": output, "pred_xstart": out["pred_xstart"]} + + def training_losses(self, model, x_start, t, model_kwargs=None, noise=None): + """ + Compute training losses for a single timestep. + :param model: the model to evaluate loss on. + :param x_start: the [N x C x ...] tensor of inputs. + :param t: a batch of timestep indices. + :param model_kwargs: if not None, a dict of extra keyword arguments to + pass to the model. This can be used for conditioning. + :param noise: if specified, the specific Gaussian noise to try to remove. + :return: a dict with the key "loss" containing a tensor of shape [N]. + Some mean or variance settings may also have other keys. + """ + if model_kwargs is None: + model_kwargs = {} + if noise is None: + noise = torch.randn_like(x_start) + x_t = self.q_sample(x_start, t, noise=noise) + + terms = {} + + if self.loss_type == LossType.KL or self.loss_type == LossType.RESCALED_KL: + terms["loss"] = self._vb_terms_bpd( + model=model, + x_start=x_start, + x_t=x_t, + t=t, + clip_denoised=False, + model_kwargs=model_kwargs, + )["output"] + if self.loss_type == LossType.RESCALED_KL: + terms["loss"] *= self.num_timesteps + elif self.loss_type == LossType.MSE or self.loss_type == LossType.RESCALED_MSE: + model_output = model(x_t, t, **model_kwargs) + + if self.model_var_type in [ + ModelVarType.LEARNED, + ModelVarType.LEARNED_RANGE, + ]: + B, C = x_t.shape[:2] + assert model_output.shape == (B, C * 2, *x_t.shape[2:]) + model_output, model_var_values = torch.split(model_output, C, dim=1) + # Learn the variance using the variational bound, but don't let + # it affect our mean prediction. + frozen_out = torch.cat([model_output.detach(), model_var_values], dim=1) + terms["vb"] = self._vb_terms_bpd( + model=lambda *args, r=frozen_out: r, + x_start=x_start, + x_t=x_t, + t=t, + clip_denoised=False, + )["output"] + if self.loss_type == LossType.RESCALED_MSE: + # Divide by 1000 for equivalence with initial implementation. + # Without a factor of 1/1000, the VB term hurts the MSE term. + terms["vb"] *= self.num_timesteps / 1000.0 + + target = { + ModelMeanType.PREVIOUS_X: self.q_posterior_mean_variance( + x_start=x_start, x_t=x_t, t=t + )[0], + ModelMeanType.START_X: x_start, + ModelMeanType.EPSILON: noise, + }[self.model_mean_type] + assert model_output.shape == target.shape == x_start.shape + terms["mse"] = mean_flat((target - model_output) ** 2) + if "vb" in terms: + terms["loss"] = terms["mse"] + terms["vb"] + else: + terms["loss"] = terms["mse"] + else: + raise NotImplementedError(self.loss_type) + + return terms + + def _prior_bpd(self, x_start): + """ + Get the prior KL term for the variational lower-bound, measured in + bits-per-dim. + This term can't be optimized, as it only depends on the encoder. + :param x_start: the [N x C x ...] tensor of inputs. + :return: a batch of [N] KL values (in bits), one per batch element. + """ + batch_size = x_start.shape[0] + t = torch.tensor([self.num_timesteps - 1] * batch_size, device=x_start.device) + qt_mean, _, qt_log_variance = self.q_mean_variance(x_start, t) + kl_prior = normal_kl( + mean1=qt_mean, logvar1=qt_log_variance, mean2=0.0, logvar2=0.0 + ) + return mean_flat(kl_prior) / np.log(2.0) + + def calc_bpd_loop(self, model, x_start, clip_denoised=True, model_kwargs=None): + """ + Compute the entire variational lower-bound, measured in bits-per-dim, + as well as other related quantities. + :param model: the model to evaluate loss on. + :param x_start: the [N x C x ...] tensor of inputs. + :param clip_denoised: if True, clip denoised samples. + :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: + - total_bpd: the total variational lower-bound, per batch element. + - prior_bpd: the prior term in the lower-bound. + - vb: an [N x T] tensor of terms in the lower-bound. + - xstart_mse: an [N x T] tensor of x_0 MSEs for each timestep. + - mse: an [N x T] tensor of epsilon MSEs for each timestep. + """ + device = x_start.device + batch_size = x_start.shape[0] + + vb = [] + xstart_mse = [] + mse = [] + for t in list(range(self.num_timesteps))[::-1]: + t_batch = torch.tensor([t] * batch_size, device=device) + noise = torch.randn_like(x_start) + x_t = self.q_sample(x_start=x_start, t=t_batch, noise=noise) + # Calculate VLB term at the current timestep + with torch.no_grad(): + out = self._vb_terms_bpd( + model, + x_start=x_start, + x_t=x_t, + t=t_batch, + clip_denoised=clip_denoised, + model_kwargs=model_kwargs, + ) + vb.append(out["output"]) + xstart_mse.append(mean_flat((out["pred_xstart"] - x_start) ** 2)) + eps = self._predict_eps_from_xstart(x_t, t_batch, out["pred_xstart"]) + mse.append(mean_flat((eps - noise) ** 2)) + + vb = torch.stack(vb, dim=1) + xstart_mse = torch.stack(xstart_mse, dim=1) + mse = torch.stack(mse, dim=1) + + prior_bpd = self._prior_bpd(x_start) + total_bpd = vb.sum(dim=1) + prior_bpd + return { + "total_bpd": total_bpd, + "prior_bpd": prior_bpd, + "vb": vb, + "xstart_mse": xstart_mse, + "mse": mse, + } + + +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 = torch.from_numpy(arr).to(device=timesteps.device)[timesteps].float() + while len(res.shape) < len(broadcast_shape): + res = res[..., None] + return res + torch.zeros(broadcast_shape, device=timesteps.device)