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gaussian_diffusion.py923 linesDownload Raw Back to guided_diffusion
1"""2This code started out as a PyTorch port of Ho et al's diffusion models:3https://github.com/hojonathanho/diffusion/blob/1e0dceb3b3495bbe19116a5e1b3596cd0706c543/diffusion_tf/diffusion_utils_2.py4 5Docstrings have been added, as well as DDIM sampling and a new collection of beta schedules.6"""7 8import enum9import math10 11import numpy as np12import torch as th13 14from .nn import mean_flat15from .losses import normal_kl, discretized_gaussian_log_likelihood16 17import pdb18 19 20def get_named_beta_schedule(schedule_name, num_diffusion_timesteps):21    """22    Get a pre-defined beta schedule for the given name.23 24    The beta schedule library consists of beta schedules which remain similar25    in the limit of num_diffusion_timesteps.26    Beta schedules may be added, but should not be removed or changed once27    they are committed to maintain backwards compatibility.28    """29    if schedule_name == "linear":30        # Linear schedule from Ho et al, extended to work for any number of31        # diffusion steps.32        scale = 1000 / num_diffusion_timesteps33        beta_start = scale * 0.000134        beta_end = scale * 0.0235        return np.linspace(beta_start, beta_end, num_diffusion_timesteps, dtype=np.float64)36    elif schedule_name == "cosine":37        return betas_for_alpha_bar(38            num_diffusion_timesteps, lambda t: math.cos((t + 0.008) / 1.008 * math.pi / 2) ** 2,39        )40    else:41        raise NotImplementedError(f"unknown beta schedule: {schedule_name}")42 43 44def betas_for_alpha_bar(num_diffusion_timesteps, alpha_bar, max_beta=0.999):45    """46    Create a beta schedule that discretizes the given alpha_t_bar function,47    which defines the cumulative product of (1-beta) over time from t = [0,1].48 49    :param num_diffusion_timesteps: the number of betas to produce.50    :param alpha_bar: a lambda that takes an argument t from 0 to 1 and51                      produces the cumulative product of (1-beta) up to that52                      part of the diffusion process.53    :param max_beta: the maximum beta to use; use values lower than 1 to54                     prevent singularities.55    """56    betas = []57    for i in range(num_diffusion_timesteps):58        t1 = i / num_diffusion_timesteps59        t2 = (i + 1) / num_diffusion_timesteps60        betas.append(min(1 - alpha_bar(t2) / alpha_bar(t1), max_beta))61    return np.array(betas)62 63 64class ModelMeanType(enum.Enum):65    """66    Which type of output the model predicts.67    """68 69    PREVIOUS_X = enum.auto()  # the model predicts x_{t-1}70    START_X = enum.auto()  # the model predicts x_071    EPSILON = enum.auto()  # the model predicts epsilon72 73 74class ModelVarType(enum.Enum):75    """76    What is used as the model's output variance.77 78    The LEARNED_RANGE option has been added to allow the model to predict79    values between FIXED_SMALL and FIXED_LARGE, making its job easier.80    """81 82    LEARNED = enum.auto()83    FIXED_SMALL = enum.auto()84    FIXED_LARGE = enum.auto()85    LEARNED_RANGE = enum.auto()86 87 88class LossType(enum.Enum):89    MSE = enum.auto()  # use raw MSE loss (and KL when learning variances)90    RESCALED_MSE = enum.auto()  # use raw MSE loss (with RESCALED_KL when learning variances)91    KL = enum.auto()  # use the variational lower-bound92    RESCALED_KL = enum.auto()  # like KL, but rescale to estimate the full VLB93 94    def is_vb(self):95        return self == LossType.KL or self == LossType.RESCALED_KL96 97 98class GaussianDiffusion:99    """100    Utilities for training and sampling diffusion models.101 102    Ported directly from here, and then adapted over time to further experimentation.103    https://github.com/hojonathanho/diffusion/blob/1e0dceb3b3495bbe19116a5e1b3596cd0706c543/diffusion_tf/diffusion_utils_2.py#L42104 105    :param betas: a 1-D numpy array of betas for each diffusion timestep,106                  starting at T and going to 1.107    :param model_mean_type: a ModelMeanType determining what the model outputs.108    :param model_var_type: a ModelVarType determining how variance is output.109    :param loss_type: a LossType determining the loss function to use.110    :param rescale_timesteps: if True, pass floating point timesteps into the111                              model so that they are always scaled like in the112                              original paper (0 to 1000).113    """114 115    def __init__(116        self, *, betas, model_mean_type, model_var_type, loss_type, rescale_timesteps=False,117    ):118        self.model_mean_type = model_mean_type119        self.model_var_type = model_var_type120        self.loss_type = loss_type121        self.rescale_timesteps = rescale_timesteps122 123        # Use float64 for accuracy.124        betas = np.array(betas, dtype=np.float64)125        self.betas = betas126        assert len(betas.shape) == 1, "betas must be 1-D"127        assert (betas > 0).all() and (betas <= 1).all()128 129        self.num_timesteps = int(betas.shape[0])130 131        alphas = 1.0 - betas132        self.alphas_cumprod = np.cumprod(alphas, axis=0)133        self.alphas_cumprod_prev = np.append(1.0, self.alphas_cumprod[:-1])134        self.alphas_cumprod_next = np.append(self.alphas_cumprod[1:], 0.0)135        assert self.alphas_cumprod_prev.shape == (self.num_timesteps,)136 137        # calculations for diffusion q(x_t | x_{t-1}) and others138        self.sqrt_alphas_cumprod = np.sqrt(self.alphas_cumprod)139        self.sqrt_one_minus_alphas_cumprod = np.sqrt(1.0 - self.alphas_cumprod)140        self.log_one_minus_alphas_cumprod = np.log(1.0 - self.alphas_cumprod)141        self.sqrt_recip_alphas_cumprod = np.sqrt(1.0 / self.alphas_cumprod)142        self.sqrt_recipm1_alphas_cumprod = np.sqrt(1.0 / self.alphas_cumprod - 1)143 144        # calculations for posterior q(x_{t-1} | x_t, x_0)145        self.posterior_variance = (146            betas * (1.0 - self.alphas_cumprod_prev) / (1.0 - self.alphas_cumprod)147        )148        # log calculation clipped because the posterior variance is 0 at the149        # beginning of the diffusion chain.150        self.posterior_log_variance_clipped = np.log(151            np.append(self.posterior_variance[1], self.posterior_variance[1:])152        )153        self.posterior_mean_coef1 = (154            betas * np.sqrt(self.alphas_cumprod_prev) / (1.0 - self.alphas_cumprod)155        )156        self.posterior_mean_coef2 = (157            (1.0 - self.alphas_cumprod_prev) * np.sqrt(alphas) / (1.0 - self.alphas_cumprod)158        )159 160    def q_mean_variance(self, x_start, t):161        """162        Get the distribution q(x_t | x_0).163 164        :param x_start: the [N x C x ...] tensor of noiseless inputs.165        :param t: the number of diffusion steps (minus 1). Here, 0 means one step.166        :return: A tuple (mean, variance, log_variance), all of x_start's shape.167        """168        mean = _extract_into_tensor(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start169        variance = _extract_into_tensor(1.0 - self.alphas_cumprod, t, x_start.shape)170        log_variance = _extract_into_tensor(self.log_one_minus_alphas_cumprod, t, x_start.shape)171        return mean, variance, log_variance172 173    def q_sample(self, x_start, t, noise=None):174        """175        Diffuse the data for a given number of diffusion steps.176 177        In other words, sample from q(x_t | x_0).178 179        :param x_start: the initial data batch.180        :param t: the number of diffusion steps (minus 1). Here, 0 means one step.181        :param noise: if specified, the split-out normal noise.182        :return: A noisy version of x_start.183        """184        if noise is None:185            noise = th.randn_like(x_start)186        assert noise.shape == x_start.shape187        return (188            _extract_into_tensor(self.sqrt_alphas_cumprod, t, x_start.shape) * x_start189            + _extract_into_tensor(self.sqrt_one_minus_alphas_cumprod, t, x_start.shape) * noise190        )191 192    def q_posterior_mean_variance(self, x_start, x_t, t):193        """194        Compute the mean and variance of the diffusion posterior:195 196            q(x_{t-1} | x_t, x_0)197 198        """199        assert x_start.shape == x_t.shape200        posterior_mean = (201            _extract_into_tensor(self.posterior_mean_coef1, t, x_t.shape) * x_start202            + _extract_into_tensor(self.posterior_mean_coef2, t, x_t.shape) * x_t203        )204        posterior_variance = _extract_into_tensor(self.posterior_variance, t, x_t.shape)205        posterior_log_variance_clipped = _extract_into_tensor(206            self.posterior_log_variance_clipped, t, x_t.shape207        )208        assert (209            posterior_mean.shape[0]210            == posterior_variance.shape[0]211            == posterior_log_variance_clipped.shape[0]212            == x_start.shape[0]213        )214        return posterior_mean, posterior_variance, posterior_log_variance_clipped215 216    def p_mean_variance(self, model, x, t, clip_denoised=True, denoised_fn=None, model_kwargs=None):217        """218        Apply the model to get p(x_{t-1} | x_t), as well as a prediction of219        the initial x, x_0.220 221        :param model: the model, which takes a signal and a batch of timesteps222                      as input.223        :param x: the [N x C x ...] tensor at time t.224        :param t: a 1-D Tensor of timesteps.225        :param clip_denoised: if True, clip the denoised signal into [-1, 1].226        :param denoised_fn: if not None, a function which applies to the227            x_start prediction before it is used to sample. Applies before228            clip_denoised.229        :param model_kwargs: if not None, a dict of extra keyword arguments to230            pass to the model. This can be used for conditioning.231        :return: a dict with the following keys:232                 - 'mean': the model mean output.233                 - 'variance': the model variance output.234                 - 'log_variance': the log of 'variance'.235                 - 'pred_xstart': the prediction for x_0.236        """237        if model_kwargs is None:238            model_kwargs = {}239 240        B, C = x.shape[:2]241        assert t.shape == (B,)242        model_output = model(x, self._scale_timesteps(t), **model_kwargs)243 244        if self.model_var_type in [ModelVarType.LEARNED, ModelVarType.LEARNED_RANGE]:245            assert model_output.shape == (B, C * 2, *x.shape[2:])246            model_output, model_var_values = th.split(model_output, C, dim=1)247            if self.model_var_type == ModelVarType.LEARNED:248                model_log_variance = model_var_values249                model_variance = th.exp(model_log_variance)250            else:251                min_log = _extract_into_tensor(self.posterior_log_variance_clipped, t, x.shape)252                max_log = _extract_into_tensor(np.log(self.betas), t, x.shape)253                # The model_var_values is [-1, 1] for [min_var, max_var].254                frac = (model_var_values + 1) / 2255                model_log_variance = frac * max_log + (1 - frac) * min_log256                model_variance = th.exp(model_log_variance)257        else:258            model_variance, model_log_variance = {259                # for fixedlarge, we set the initial (log-)variance like so260                # to get a better decoder log likelihood.261                ModelVarType.FIXED_LARGE: (262                    np.append(self.posterior_variance[1], self.betas[1:]),263                    np.log(np.append(self.posterior_variance[1], self.betas[1:])),264                ),265                ModelVarType.FIXED_SMALL: (266                    self.posterior_variance,267                    self.posterior_log_variance_clipped,268                ),269            }[self.model_var_type]270            model_variance = _extract_into_tensor(model_variance, t, x.shape)271            model_log_variance = _extract_into_tensor(model_log_variance, t, x.shape)272 273        def process_xstart(x):274            if denoised_fn is not None:275                x = denoised_fn(x)276            if clip_denoised:277                return x.clamp(-1, 1)278            return x279 280        if self.model_mean_type == ModelMeanType.PREVIOUS_X:281            pred_xstart = process_xstart(282                self._predict_xstart_from_xprev(x_t=x, t=t, xprev=model_output)283            )284            model_mean = model_output285        elif self.model_mean_type in [ModelMeanType.START_X, ModelMeanType.EPSILON]:286            if self.model_mean_type == ModelMeanType.START_X:287                pred_xstart = process_xstart(model_output)288            else:289                pred_xstart = process_xstart(290                    self._predict_xstart_from_eps(x_t=x, t=t, eps=model_output)291                )292            model_mean, _, _ = self.q_posterior_mean_variance(x_start=pred_xstart, x_t=x, t=t)293        else:294            raise NotImplementedError(self.model_mean_type)295 296        assert model_mean.shape == model_log_variance.shape == pred_xstart.shape == x.shape297        return {298            "mean": model_mean,299            "variance": model_variance,300            "log_variance": model_log_variance,301            "pred_xstart": pred_xstart,302        }303 304    def _predict_xstart_from_eps(self, x_t, t, eps):305        assert x_t.shape == eps.shape306        return (307            _extract_into_tensor(self.sqrt_recip_alphas_cumprod, t, x_t.shape) * x_t308            - _extract_into_tensor(self.sqrt_recipm1_alphas_cumprod, t, x_t.shape) * eps309        )310 311    def _predict_xstart_from_xprev(self, x_t, t, xprev):312        assert x_t.shape == xprev.shape313        return (  # (xprev - coef2*x_t) / coef1314            _extract_into_tensor(1.0 / self.posterior_mean_coef1, t, x_t.shape) * xprev315            - _extract_into_tensor(316                self.posterior_mean_coef2 / self.posterior_mean_coef1, t, x_t.shape317            )318            * x_t319        )320 321    def _predict_eps_from_xstart(self, x_t, t, pred_xstart):322        return (323            _extract_into_tensor(self.sqrt_recip_alphas_cumprod, t, x_t.shape) * x_t - pred_xstart324        ) / _extract_into_tensor(self.sqrt_recipm1_alphas_cumprod, t, x_t.shape)325 326    def _scale_timesteps(self, t):327        if self.rescale_timesteps:328            return t.float() * (1000.0 / self.num_timesteps)329        return t330 331    def condition_mean(self, cond_fn, p_mean_var, x, t, model_kwargs=None):332        """333        Compute the mean for the previous step, given a function cond_fn that334        computes the gradient of a conditional log probability with respect to335        x. In particular, cond_fn computes grad(log(p(y|x))), and we want to336        condition on y.337 338        This uses the conditioning strategy from Sohl-Dickstein et al. (2015).339        """340        gradient = cond_fn(x, self._scale_timesteps(t), **model_kwargs)341        new_mean = p_mean_var["mean"].float() + p_mean_var["variance"] * gradient.float()342        return new_mean343 344    def condition_score(self, cond_fn, p_mean_var, x, t, model_kwargs=None):345        """346        Compute what the p_mean_variance output would have been, should the347        model's score function be conditioned by cond_fn.348 349        See condition_mean() for details on cond_fn.350 351        Unlike condition_mean(), this instead uses the conditioning strategy352        from Song et al (2020).353        """354        alpha_bar = _extract_into_tensor(self.alphas_cumprod, t, x.shape)355 356        eps = self._predict_eps_from_xstart(x, t, p_mean_var["pred_xstart"])357        eps = eps - (1 - alpha_bar).sqrt() * cond_fn(x, self._scale_timesteps(t), **model_kwargs)358 359        out = p_mean_var.copy()360        out["pred_xstart"] = self._predict_xstart_from_eps(x, t, eps)361        out["mean"], _, _ = self.q_posterior_mean_variance(x_start=out["pred_xstart"], x_t=x, t=t)362        return out363 364    def p_sample(365        self, model, x, t, clip_denoised=True, denoised_fn=None, cond_fn=None, model_kwargs=None,366    ):367        """368        Sample x_{t-1} from the model at the given timestep.369 370        :param model: the model to sample from.371        :param x: the current tensor at x_{t-1}.372        :param t: the value of t, starting at 0 for the first diffusion step.373        :param clip_denoised: if True, clip the x_start prediction to [-1, 1].374        :param denoised_fn: if not None, a function which applies to the375            x_start prediction before it is used to sample.376        :param cond_fn: if not None, this is a gradient function that acts377                        similarly to the model.378        :param model_kwargs: if not None, a dict of extra keyword arguments to379            pass to the model. This can be used for conditioning.380        :return: a dict containing the following keys:381                 - 'sample': a random sample from the model.382                 - 'pred_xstart': a prediction of x_0.383        """384        out = self.p_mean_variance(385            model,386            x,387            t,388            clip_denoised=clip_denoised,389            denoised_fn=denoised_fn,390            model_kwargs=model_kwargs,391        )392        noise = th.randn_like(x)393        nonzero_mask = (394            (t != 0).float().view(-1, *([1] * (len(x.shape) - 1)))395        )  # no noise when t == 0396        if cond_fn is not None:397            out["mean"] = self.condition_mean(cond_fn, out, x, t, model_kwargs=model_kwargs)398        sample = out["mean"] + nonzero_mask * th.exp(0.5 * out["log_variance"]) * noise399        return {"sample": sample, "pred_xstart": out["pred_xstart"]}400 401    def p_sample_loop(402        self,403        model,404        shape,405        noise=None,406        clip_denoised=True,407        denoised_fn=None,408        cond_fn=None,409        model_kwargs=None,410        device=None,411        progress=False,412        skip_timesteps=0,413        init_image=None,414        randomize_class=False,415    ):416        """417        Generate samples from the model.418 419        :param model: the model module.420        :param shape: the shape of the samples, (N, C, H, W).421        :param noise: if specified, the noise from the encoder to sample.422                      Should be of the same shape as `shape`.423        :param clip_denoised: if True, clip x_start predictions to [-1, 1].424        :param denoised_fn: if not None, a function which applies to the425            x_start prediction before it is used to sample.426        :param cond_fn: if not None, this is a gradient function that acts427                        similarly to the model.428        :param model_kwargs: if not None, a dict of extra keyword arguments to429            pass to the model. This can be used for conditioning.430        :param device: if specified, the device to create the samples on.431                       If not specified, use a model parameter's device.432        :param progress: if True, show a tqdm progress bar.433        :return: a non-differentiable batch of samples.434        """435        final = None436        for sample in self.p_sample_loop_progressive(437            model,438            shape,439            noise=noise,440            clip_denoised=clip_denoised,441            denoised_fn=denoised_fn,442            cond_fn=cond_fn,443            model_kwargs=model_kwargs,444            device=device,445            progress=progress,446            skip_timesteps=skip_timesteps,447            init_image=init_image,448            randomize_class=randomize_class,449        ):450            final = sample451        return final["sample"]452 453    def p_sample_loop_progressive(454        self,455        model,456        shape,457        noise=None,458        clip_denoised=True,459        denoised_fn=None,460        cond_fn=None,461        model_kwargs=None,462        device=None,463        progress=False,464        skip_timesteps=0,465        init_image=None,466        postprocess_fn=None,467        randomize_class=False,468    ):469        """470        Generate samples from the model and yield intermediate samples from471        each timestep of diffusion.472 473        Arguments are the same as p_sample_loop().474        Returns a generator over dicts, where each dict is the return value of475        p_sample().476        """477        # if device is None:478        #     device = next(model.parameters()).device479        assert isinstance(shape, (tuple, list))480        if noise is not None:481            img = noise482            '''483            img_guidance = noise.to(device)484            t_batch = th.tensor([int(t0*self.num_timesteps)-1]*len(img_guidance), device=device)485            img = self.q_sample(img_guidance, t_batch)486            indices = list(range(int(t0*self.num_timesteps)))[::-1]487            '''488        else:489            img = th.randn(*shape, device=device)490 491        # pdb.set_trace()492        if skip_timesteps and init_image is None:493            init_image = th.zeros_like(img)494 495        indices = list(range(self.num_timesteps - skip_timesteps))[::-1]496 497        batch_size = shape[0]498        init_image_batch = th.tile(init_image, dims=(batch_size, 1, 1, 1))499        img = self.q_sample(500            x_start=init_image_batch,501            t=th.tensor(indices[0], dtype=th.long, device=device),502            noise=img,503        )504 505        if progress:506            # Lazy import so that we don't depend on tqdm.507            from tqdm.auto import tqdm508 509            indices = tqdm(indices)510 511        for i in indices:512            t = th.tensor([i] * shape[0], device=device)513            if randomize_class and "y" in model_kwargs:514                model_kwargs["y"] = th.randint(515                    low=0,516                    high=model.num_classes,517                    size=model_kwargs["y"].shape,518                    device=model_kwargs["y"].device,519                )520            with th.no_grad():521                out = self.p_sample(522                    model,523                    img,524                    t,525                    clip_denoised=clip_denoised,526                    denoised_fn=denoised_fn,527                    cond_fn=cond_fn,528                    model_kwargs=model_kwargs,529                )530                if postprocess_fn is not None:531                    out = postprocess_fn(out, t)532 533                yield out534                img = out["sample"]535 536    def ddim_sample(537        self,538        model,539        x,540        t,541        clip_denoised=True,542        denoised_fn=None,543        cond_fn=None,544        model_kwargs=None,545        eta=0.0,546    ):547        """548        Sample x_{t-1} from the model using DDIM.549 550        Same usage as p_sample().551        """552        out = self.p_mean_variance(553            model,554            x,555            t,556            clip_denoised=clip_denoised,557            denoised_fn=denoised_fn,558            model_kwargs=model_kwargs,559        )560        if cond_fn is not None:561            out = self.condition_score(cond_fn, out, x, t, model_kwargs=model_kwargs)562 563        # Usually our model outputs epsilon, but we re-derive it564        # in case we used x_start or x_prev prediction.565        eps = self._predict_eps_from_xstart(x, t, out["pred_xstart"])566 567        alpha_bar = _extract_into_tensor(self.alphas_cumprod, t, x.shape)568        alpha_bar_prev = _extract_into_tensor(self.alphas_cumprod_prev, t, x.shape)569        sigma = (570            eta571            * th.sqrt((1 - alpha_bar_prev) / (1 - alpha_bar))572            * th.sqrt(1 - alpha_bar / alpha_bar_prev)573        )574        # Equation 12.575        noise = th.randn_like(x)576        mean_pred = (577            out["pred_xstart"] * th.sqrt(alpha_bar_prev)578            + th.sqrt(1 - alpha_bar_prev - sigma ** 2) * eps579        )580        nonzero_mask = (581            (t != 0).float().view(-1, *([1] * (len(x.shape) - 1)))582        )  # no noise when t == 0583        sample = mean_pred + nonzero_mask * sigma * noise584        return {"sample": sample, "pred_xstart": out["pred_xstart"]}585 586    def ddim_reverse_sample(587        self, model, x, t, clip_denoised=True, denoised_fn=None, model_kwargs=None, eta=0.0,588    ):589        """590        Sample x_{t+1} from the model using DDIM reverse ODE.591        """592        assert eta == 0.0, "Reverse ODE only for deterministic path"593        out = self.p_mean_variance(594            model,595            x,596            t,597            clip_denoised=clip_denoised,598            denoised_fn=denoised_fn,599            model_kwargs=model_kwargs,600        )601        # Usually our model outputs epsilon, but we re-derive it602        # in case we used x_start or x_prev prediction.603        eps = (604            _extract_into_tensor(self.sqrt_recip_alphas_cumprod, t, x.shape) * x605            - out["pred_xstart"]606        ) / _extract_into_tensor(self.sqrt_recipm1_alphas_cumprod, t, x.shape)607        alpha_bar_next = _extract_into_tensor(self.alphas_cumprod_next, t, x.shape)608 609        # Equation 12. reversed610        mean_pred = out["pred_xstart"] * th.sqrt(alpha_bar_next) + th.sqrt(1 - alpha_bar_next) * eps611 612        return {"sample": mean_pred, "pred_xstart": out["pred_xstart"]}613 614    def ddim_sample_loop(615        self,616        model,617        shape,618        noise=None,619        clip_denoised=True,620        denoised_fn=None,621        cond_fn=None,622        model_kwargs=None,623        device=None,624        progress=False,625        eta=0.0,626        skip_timesteps=0,627        init_image=None,628        randomize_class=False,629    ):630        """631        Generate samples from the model using DDIM.632 633        Same usage as p_sample_loop().634        """635        final = None636        for sample in self.ddim_sample_loop_progressive(637            model,638            shape,639            noise=noise,640            clip_denoised=clip_denoised,641            denoised_fn=denoised_fn,642            cond_fn=cond_fn,643            model_kwargs=model_kwargs,644            device=device,645            progress=progress,646            eta=eta,647            skip_timesteps=skip_timesteps,648            init_image=init_image,649            randomize_class=randomize_class,650        ):651            final = sample652        return final["sample"]653 654    def ddim_sample_loop_progressive(655        self,656        model,657        shape,658        noise=None,659        clip_denoised=True,660        denoised_fn=None,661        cond_fn=None,662        model_kwargs=None,663        device=None,664        progress=False,665        eta=0.0,666        skip_timesteps=0,667        init_image=None,668        postprocess_fn=None,669        randomize_class=False,670    ):671        """672        Use DDIM to sample from the model and yield intermediate samples from673        each timestep of DDIM.674 675        Same usage as p_sample_loop_progressive().676        """677        if device is None:678            device = next(model.parameters()).device679        assert isinstance(shape, (tuple, list))680        if noise is not None:681            img = noise682        else:683            img = th.randn(*shape, device=device)684 685        if skip_timesteps and init_image is None:686            init_image = th.zeros_like(img)687 688        indices = list(range(self.num_timesteps - skip_timesteps))[::-1]689 690        if init_image is not None:691            my_t = th.ones([shape[0]], device=device, dtype=th.long) * indices[0]692            batch_size = shape[0]693            init_image_batch = th.tile(init_image, dims=(batch_size, 1, 1, 1))694            img = self.q_sample(init_image_batch, my_t, img)695 696        if progress:697            # Lazy import so that we don't depend on tqdm.698            from tqdm.auto import tqdm699 700            indices = tqdm(indices)701 702        for i in indices:703            t = th.tensor([i] * shape[0], device=device)704            if randomize_class and "y" in model_kwargs:705                model_kwargs["y"] = th.randint(706                    low=0,707                    high=model.num_classes,708                    size=model_kwargs["y"].shape,709                    device=model_kwargs["y"].device,710                )711            with th.no_grad():712                out = self.ddim_sample(713                    model,714                    img,715                    t,716                    clip_denoised=clip_denoised,717                    denoised_fn=denoised_fn,718                    cond_fn=cond_fn,719                    model_kwargs=model_kwargs,720                    eta=eta,721                )722 723                if postprocess_fn is not None:724                    out = postprocess_fn(out, t)725 726                yield out727                img = out["sample"]728 729    def _vb_terms_bpd(self, model, x_start, x_t, t, clip_denoised=True, model_kwargs=None):730        """731        Get a term for the variational lower-bound.732 733        The resulting units are bits (rather than nats, as one might expect).734        This allows for comparison to other papers.735 736        :return: a dict with the following keys:737                 - 'output': a shape [N] tensor of NLLs or KLs.738                 - 'pred_xstart': the x_0 predictions.739        """740        true_mean, _, true_log_variance_clipped = self.q_posterior_mean_variance(741            x_start=x_start, x_t=x_t, t=t742        )743        out = self.p_mean_variance(744            model, x_t, t, clip_denoised=clip_denoised, model_kwargs=model_kwargs745        )746        kl = normal_kl(true_mean, true_log_variance_clipped, out["mean"], out["log_variance"])747        kl = mean_flat(kl) / np.log(2.0)748 749        decoder_nll = -discretized_gaussian_log_likelihood(750            x_start, means=out["mean"], log_scales=0.5 * out["log_variance"]751        )752        assert decoder_nll.shape == x_start.shape753        decoder_nll = mean_flat(decoder_nll) / np.log(2.0)754 755        # At the first timestep return the decoder NLL,756        # otherwise return KL(q(x_{t-1}|x_t,x_0) || p(x_{t-1}|x_t))757        output = th.where((t == 0), decoder_nll, kl)758        return {"output": output, "pred_xstart": out["pred_xstart"]}759 760    def training_losses(self, model, x_start, t, model_kwargs=None, noise=None):761        """762        Compute training losses for a single timestep.763 764        :param model: the model to evaluate loss on.765        :param x_start: the [N x C x ...] tensor of inputs.766        :param t: a batch of timestep indices.767        :param model_kwargs: if not None, a dict of extra keyword arguments to768            pass to the model. This can be used for conditioning.769        :param noise: if specified, the specific Gaussian noise to try to remove.770        :return: a dict with the key "loss" containing a tensor of shape [N].771                 Some mean or variance settings may also have other keys.772        """773        if model_kwargs is None:774            model_kwargs = {}775        if noise is None:776            noise = th.randn_like(x_start)777        x_t = self.q_sample(x_start, t, noise=noise)778 779        terms = {}780 781        if self.loss_type == LossType.KL or self.loss_type == LossType.RESCALED_KL:782            terms["loss"] = self._vb_terms_bpd(783                model=model,784                x_start=x_start,785                x_t=x_t,786                t=t,787                clip_denoised=False,788                model_kwargs=model_kwargs,789            )["output"]790            if self.loss_type == LossType.RESCALED_KL:791                terms["loss"] *= self.num_timesteps792        elif self.loss_type == LossType.MSE or self.loss_type == LossType.RESCALED_MSE:793            model_output = model(x_t, self._scale_timesteps(t), **model_kwargs)794 795            if self.model_var_type in [796                ModelVarType.LEARNED,797                ModelVarType.LEARNED_RANGE,798            ]:799                B, C = x_t.shape[:2]800                assert model_output.shape == (B, C * 2, *x_t.shape[2:])801                model_output, model_var_values = th.split(model_output, C, dim=1)802                # Learn the variance using the variational bound, but don't let803                # it affect our mean prediction.804                frozen_out = th.cat([model_output.detach(), model_var_values], dim=1)805                terms["vb"] = self._vb_terms_bpd(806                    model=lambda *args, r=frozen_out: r,807                    x_start=x_start,808                    x_t=x_t,809                    t=t,810                    clip_denoised=False,811                )["output"]812                if self.loss_type == LossType.RESCALED_MSE:813                    # Divide by 1000 for equivalence with initial implementation.814                    # Without a factor of 1/1000, the VB term hurts the MSE term.815                    terms["vb"] *= self.num_timesteps / 1000.0816 817            target = {818                ModelMeanType.PREVIOUS_X: self.q_posterior_mean_variance(819                    x_start=x_start, x_t=x_t, t=t820                )[0],821                ModelMeanType.START_X: x_start,822                ModelMeanType.EPSILON: noise,823            }[self.model_mean_type]824            assert model_output.shape == target.shape == x_start.shape825            terms["mse"] = mean_flat((target - model_output) ** 2)826            if "vb" in terms:827                terms["loss"] = terms["mse"] + terms["vb"]828            else:829                terms["loss"] = terms["mse"]830        else:831            raise NotImplementedError(self.loss_type)832 833        return terms834 835    def _prior_bpd(self, x_start):836        """837        Get the prior KL term for the variational lower-bound, measured in838        bits-per-dim.839 840        This term can't be optimized, as it only depends on the encoder.841 842        :param x_start: the [N x C x ...] tensor of inputs.843        :return: a batch of [N] KL values (in bits), one per batch element.844        """845        batch_size = x_start.shape[0]846        t = th.tensor([self.num_timesteps - 1] * batch_size, device=x_start.device)847        qt_mean, _, qt_log_variance = self.q_mean_variance(x_start, t)848        kl_prior = normal_kl(mean1=qt_mean, logvar1=qt_log_variance, mean2=0.0, logvar2=0.0)849        return mean_flat(kl_prior) / np.log(2.0)850 851    def calc_bpd_loop(self, model, x_start, clip_denoised=True, model_kwargs=None):852        """853        Compute the entire variational lower-bound, measured in bits-per-dim,854        as well as other related quantities.855 856        :param model: the model to evaluate loss on.857        :param x_start: the [N x C x ...] tensor of inputs.858        :param clip_denoised: if True, clip denoised samples.859        :param model_kwargs: if not None, a dict of extra keyword arguments to860            pass to the model. This can be used for conditioning.861 862        :return: a dict containing the following keys:863                 - total_bpd: the total variational lower-bound, per batch element.864                 - prior_bpd: the prior term in the lower-bound.865                 - vb: an [N x T] tensor of terms in the lower-bound.866                 - xstart_mse: an [N x T] tensor of x_0 MSEs for each timestep.867                 - mse: an [N x T] tensor of epsilon MSEs for each timestep.868        """869        device = x_start.device870        batch_size = x_start.shape[0]871 872        vb = []873        xstart_mse = []874        mse = []875        for t in list(range(self.num_timesteps))[::-1]:876            t_batch = th.tensor([t] * batch_size, device=device)877            noise = th.randn_like(x_start)878            x_t = self.q_sample(x_start=x_start, t=t_batch, noise=noise)879            # Calculate VLB term at the current timestep880            with th.no_grad():881                out = self._vb_terms_bpd(882                    model,883                    x_start=x_start,884                    x_t=x_t,885                    t=t_batch,886                    clip_denoised=clip_denoised,887                    model_kwargs=model_kwargs,888                )889            vb.append(out["output"])890            xstart_mse.append(mean_flat((out["pred_xstart"] - x_start) ** 2))891            eps = self._predict_eps_from_xstart(x_t, t_batch, out["pred_xstart"])892            mse.append(mean_flat((eps - noise) ** 2))893 894        vb = th.stack(vb, dim=1)895        xstart_mse = th.stack(xstart_mse, dim=1)896        mse = th.stack(mse, dim=1)897 898        prior_bpd = self._prior_bpd(x_start)899        total_bpd = vb.sum(dim=1) + prior_bpd900        return {901            "total_bpd": total_bpd,902            "prior_bpd": prior_bpd,903            "vb": vb,904            "xstart_mse": xstart_mse,905            "mse": mse,906        }907 908 909def _extract_into_tensor(arr, timesteps, broadcast_shape):910    """911    Extract values from a 1-D numpy array for a batch of indices.912 913    :param arr: the 1-D numpy array.914    :param timesteps: a tensor of indices into the array to extract.915    :param broadcast_shape: a larger shape of K dimensions with the batch916                            dimension equal to the length of timesteps.917    :return: a tensor of shape [batch_size, 1, ...] where the shape has K dims.918    """919    res = th.from_numpy(arr).to(device=timesteps.device)[timesteps].float()920    while len(res.shape) < len(broadcast_shape):921        res = res[..., None]922    return res.expand(broadcast_shape)923