# Copyright 2024 EPFL and Apple Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # DISCLAIMER: This code is strongly influenced by https://github.com/huggingface/diffusers # and https://github.com/ermongroup/ddim import math from dataclasses import dataclass from typing import List, Optional, Tuple, Union import numpy as np import torch from diffusers.configuration_utils import ConfigMixin, register_to_config from diffusers.utils import BaseOutput, randn_tensor from diffusers.schedulers.scheduling_utils import KarrasDiffusionSchedulers, SchedulerMixin from .scheduling_utils import enforce_zero_terminal_snr, betas_for_alpha_bar, scaled_cosine_alphas @dataclass class DDPMSchedulerOutput(BaseOutput): """ Output class for the scheduler's step function output. Args: prev_sample (`torch.FloatTensor` of shape `(batch_size, num_channels, height, width)` for images): Computed sample (x_{t-1}) of previous timestep. `prev_sample` should be used as next model input in the denoising loop. pred_original_sample (`torch.FloatTensor` of shape `(batch_size, num_channels, height, width)` for images): The predicted denoised sample (x_{0}) based on the model output from the current timestep. `pred_original_sample` can be used to preview progress or for guidance. """ prev_sample: torch.FloatTensor pred_original_sample: Optional[torch.FloatTensor] = None class DDPMScheduler(SchedulerMixin, ConfigMixin): """ Denoising diffusion probabilistic models (DDPMs) explores the connections between denoising score matching and Langevin dynamics sampling. [`~ConfigMixin`] takes care of storing all config attributes that are passed in the scheduler's `__init__` function, such as `num_train_timesteps`. They can be accessed via `scheduler.config.num_train_timesteps`. [`SchedulerMixin`] provides general loading and saving functionality via the [`SchedulerMixin.save_pretrained`] and [`~SchedulerMixin.from_pretrained`] functions. For more details, see the original paper: https://arxiv.org/abs/2006.11239 Args: num_train_timesteps (`int`): number of diffusion steps used to train the model. beta_start (`float`): the starting `beta` value of inference. beta_end (`float`): the final `beta` value. beta_schedule (`str`): the beta schedule, a mapping from a beta range to a sequence of betas for stepping the model. Choose from `linear`, `scaled_linear`, `squaredcos_cap_v2` or `sigmoid`. trained_betas (`np.ndarray`, optional): option to pass an array of betas directly to the constructor to bypass `beta_start`, `beta_end` etc. variance_type (`str`): options to clip the variance used when adding noise to the denoised sample. Choose from `fixed_small`, `fixed_small_log`, `fixed_large`, `fixed_large_log`, `learned` or `learned_range`. clip_sample (`bool`, default `True`): option to clip predicted sample for numerical stability. clip_sample_range (`float`, default `1.0`): the maximum magnitude for sample clipping. Valid only when `clip_sample=True`. prediction_type (`str`, default `epsilon`, optional): prediction type of the scheduler function, one of `epsilon` (predicting the noise of the diffusion process), `sample` (directly predicting the noisy sample`) or `v_prediction` (see section 2.4 https://imagen.research.google/video/paper.pdf) thresholding (`bool`, default `False`): whether to use the "dynamic thresholding" method (introduced by Imagen, https://arxiv.org/abs/2205.11487). Note that the thresholding method is unsuitable for latent-space diffusion models (such as stable-diffusion). dynamic_thresholding_ratio (`float`, default `0.995`): the ratio for the dynamic thresholding method. Default is `0.995`, the same as Imagen (https://arxiv.org/abs/2205.11487). Valid only when `thresholding=True`. sample_max_value (`float`, default `1.0`): the threshold value for dynamic thresholding. Valid only when `thresholding=True`. """ _compatibles = [e.name for e in KarrasDiffusionSchedulers] order = 1 @register_to_config def __init__( self, num_train_timesteps: int = 1000, beta_start: float = 0.0001, beta_end: float = 0.02, beta_schedule: str = "linear", trained_betas: Optional[Union[np.ndarray, List[float]]] = None, variance_type: str = "fixed_small", clip_sample: bool = True, prediction_type: str = "v_prediction", thresholding: bool = False, dynamic_thresholding_ratio: float = 0.995, clip_sample_range: float = 1.0, sample_max_value: float = 1.0, zero_terminal_snr: bool = True, ): if 'shifted_cosine:' in beta_schedule: # Syntax is "shifted_cosine:{noise_shift}" noise_shift = float(beta_schedule.split(':')[1]) self.alphas_cumprod = scaled_cosine_alphas(num_train_timesteps, noise_shift) else: if trained_betas is not None: self.betas = torch.tensor(trained_betas, dtype=torch.float32) elif beta_schedule == "linear": self.betas = torch.linspace(beta_start, beta_end, num_train_timesteps, dtype=torch.float32) elif beta_schedule == "scaled_linear": # this schedule is very specific to the latent diffusion model. self.betas = ( torch.linspace(beta_start**0.5, beta_end**0.5, num_train_timesteps, dtype=torch.float32) ** 2 ) elif beta_schedule == "squaredcos_cap_v2": # Glide cosine schedule self.betas = betas_for_alpha_bar(num_train_timesteps) elif beta_schedule == "sigmoid": # GeoDiff sigmoid schedule betas = torch.linspace(-6, 6, num_train_timesteps) self.betas = torch.sigmoid(betas) * (beta_end - beta_start) + beta_start else: raise NotImplementedError(f"{beta_schedule} does is not implemented for {self.__class__}") if zero_terminal_snr: self.betas = enforce_zero_terminal_snr(self.betas) self.alphas = 1.0 - self.betas self.alphas_cumprod = torch.cumprod(self.alphas, dim=0) self.one = torch.tensor(1.0) # standard deviation of the initial noise distribution self.init_noise_sigma = 1.0 # setable values self.custom_timesteps = False self.num_inference_steps = None self.timesteps = torch.from_numpy(np.arange(0, num_train_timesteps)[::-1].copy()) self.variance_type = variance_type def scale_model_input(self, sample: torch.FloatTensor, timestep: Optional[int] = None) -> torch.FloatTensor: """ Ensures interchangeability with schedulers that need to scale the denoising model input depending on the current timestep. Args: sample (`torch.FloatTensor`): input sample timestep (`int`, optional): current timestep Returns: `torch.FloatTensor`: scaled input sample """ return sample def set_timesteps( self, num_inference_steps: Optional[int] = None, device: Union[str, torch.device] = None, timesteps: Optional[List[int]] = None, **kwargs, ): """ Sets the discrete timesteps used for the diffusion chain. Supporting function to be run before inference. Args: num_inference_steps (`Optional[int]`): the number of diffusion steps used when generating samples with a pre-trained model. If passed, then `timesteps` must be `None`. device (`str` or `torch.device`, optional): the device to which the timesteps are moved to. custom_timesteps (`List[int]`, optional): custom timesteps used to support arbitrary spacing between timesteps. If `None`, then the default timestep spacing strategy of equal spacing between timesteps is used. If passed, `num_inference_steps` must be `None`. """ if num_inference_steps is not None and timesteps is not None: raise ValueError("Can only pass one of `num_inference_steps` or `custom_timesteps`.") if timesteps is not None: for i in range(1, len(timesteps)): if timesteps[i] >= timesteps[i - 1]: raise ValueError("`custom_timesteps` must be in descending order.") if timesteps[0] >= self.config.num_train_timesteps: raise ValueError( f"`timesteps` must start before `self.config.train_timesteps`:" f" {self.config.num_train_timesteps}." ) timesteps = np.array(timesteps, dtype=np.int64) self.custom_timesteps = True else: if num_inference_steps > self.config.num_train_timesteps: raise ValueError( f"`num_inference_steps`: {num_inference_steps} cannot be larger than `self.config.train_timesteps`:" f" {self.config.num_train_timesteps} as the unet model trained with this scheduler can only handle" f" maximal {self.config.num_train_timesteps} timesteps." ) self.num_inference_steps = num_inference_steps step_ratio = self.config.num_train_timesteps // self.num_inference_steps timesteps = (np.arange(0, num_inference_steps) * step_ratio).round()[::-1].copy().astype(np.int64) self.custom_timesteps = False self.timesteps = torch.from_numpy(timesteps).to(device) def _get_variance(self, t, predicted_variance=None, variance_type=None): prev_t = self.previous_timestep(t) alpha_prod_t = self.alphas_cumprod[t] alpha_prod_t_prev = self.alphas_cumprod[prev_t] if prev_t >= 0 else self.one current_beta_t = 1 - alpha_prod_t / alpha_prod_t_prev # For t > 0, compute predicted variance βt (see formula (6) and (7) from https://arxiv.org/pdf/2006.11239.pdf) # and sample from it to get previous sample # x_{t-1} ~ N(pred_prev_sample, variance) == add variance to pred_sample variance = (1 - alpha_prod_t_prev) / (1 - alpha_prod_t) * current_beta_t # we always take the log of variance, so clamp it to ensure it's not 0 variance = torch.clamp(variance, min=1e-20) if variance_type is None: variance_type = self.config.variance_type # hacks - were probably added for training stability if variance_type == "fixed_small": variance = variance # for rl-diffuser https://arxiv.org/abs/2205.09991 elif variance_type == "fixed_small_log": variance = torch.log(variance) variance = torch.exp(0.5 * variance) elif variance_type == "fixed_large": variance = current_beta_t elif variance_type == "fixed_large_log": # Glide max_log variance = torch.log(current_beta_t) elif variance_type == "learned": return predicted_variance elif variance_type == "learned_range": min_log = torch.log(variance) max_log = torch.log(current_beta_t) frac = (predicted_variance + 1) / 2 variance = frac * max_log + (1 - frac) * min_log return variance def _threshold_sample(self, sample: torch.FloatTensor) -> torch.FloatTensor: """ "Dynamic thresholding: At each sampling step we set s to a certain percentile absolute pixel value in xt0 (the prediction of x_0 at timestep t), and if s > 1, then we threshold xt0 to the range [-s, s] and then divide by s. Dynamic thresholding pushes saturated pixels (those near -1 and 1) inwards, thereby actively preventing pixels from saturation at each step. We find that dynamic thresholding results in significantly better photorealism as well as better image-text alignment, especially when using very large guidance weights." https://arxiv.org/abs/2205.11487 """ dtype = sample.dtype batch_size, channels, height, width = sample.shape if dtype not in (torch.float32, torch.float64): sample = sample.float() # upcast for quantile calculation, and clamp not implemented for cpu half # Flatten sample for doing quantile calculation along each image sample = sample.reshape(batch_size, channels * height * width) abs_sample = sample.abs() # "a certain percentile absolute pixel value" s = torch.quantile(abs_sample, self.config.dynamic_thresholding_ratio, dim=1) s = torch.clamp( s, min=1, max=self.config.sample_max_value ) # When clamped to min=1, equivalent to standard clipping to [-1, 1] s = s.unsqueeze(1) # (batch_size, 1) because clamp will broadcast along dim=0 sample = torch.clamp(sample, -s, s) / s # "we threshold xt0 to the range [-s, s] and then divide by s" sample = sample.reshape(batch_size, channels, height, width) sample = sample.to(dtype) return sample def step( self, model_output: torch.FloatTensor, timestep: int, sample: torch.FloatTensor, generator=None, return_dict: bool = True, ) -> Union[DDPMSchedulerOutput, Tuple]: """ Predict the sample at the previous timestep by reversing the SDE. Core function to propagate the diffusion process from the learned model outputs (most often the predicted noise). Args: model_output (`torch.FloatTensor`): direct output from learned diffusion model. timestep (`int`): current discrete timestep in the diffusion chain. sample (`torch.FloatTensor`): current instance of sample being created by diffusion process. generator: random number generator. return_dict (`bool`): option for returning tuple rather than DDPMSchedulerOutput class Returns: [`~schedulers.scheduling_utils.DDPMSchedulerOutput`] or `tuple`: [`~schedulers.scheduling_utils.DDPMSchedulerOutput`] if `return_dict` is True, otherwise a `tuple`. When returning a tuple, the first element is the sample tensor. """ t = timestep prev_t = self.previous_timestep(t) if model_output.shape[1] == sample.shape[1] * 2 and self.variance_type in ["learned", "learned_range"]: model_output, predicted_variance = torch.split(model_output, sample.shape[1], dim=1) else: predicted_variance = None # 1. compute alphas, betas alpha_prod_t = self.alphas_cumprod[t] alpha_prod_t_prev = self.alphas_cumprod[prev_t] if prev_t >= 0 else self.one beta_prod_t = 1 - alpha_prod_t beta_prod_t_prev = 1 - alpha_prod_t_prev current_alpha_t = alpha_prod_t / alpha_prod_t_prev current_beta_t = 1 - current_alpha_t # 2. compute predicted original sample from predicted noise also called # "predicted x_0" of formula (15) from https://arxiv.org/pdf/2006.11239.pdf if self.config.prediction_type == "epsilon": pred_original_sample = (sample - beta_prod_t ** (0.5) * model_output) / alpha_prod_t ** (0.5) elif self.config.prediction_type == "sample": pred_original_sample = model_output elif self.config.prediction_type == "v_prediction": pred_original_sample = (alpha_prod_t**0.5) * sample - (beta_prod_t**0.5) * model_output else: raise ValueError( f"prediction_type given as {self.config.prediction_type} must be one of `epsilon`, `sample` or" " `v_prediction` for the DDPMScheduler." ) # 3. Clip or threshold "predicted x_0" if self.config.thresholding: pred_original_sample = self._threshold_sample(pred_original_sample) elif self.config.clip_sample: pred_original_sample = pred_original_sample.clamp( -self.config.clip_sample_range, self.config.clip_sample_range ) # 4. Compute coefficients for pred_original_sample x_0 and current sample x_t # See formula (7) from https://arxiv.org/pdf/2006.11239.pdf pred_original_sample_coeff = (alpha_prod_t_prev ** (0.5) * current_beta_t) / beta_prod_t current_sample_coeff = current_alpha_t ** (0.5) * beta_prod_t_prev / beta_prod_t # 5. Compute predicted previous sample µ_t # See formula (7) from https://arxiv.org/pdf/2006.11239.pdf pred_prev_sample = pred_original_sample_coeff * pred_original_sample + current_sample_coeff * sample # 6. Add noise variance = 0 if t > 0: device = model_output.device variance_noise = randn_tensor( model_output.shape, generator=generator, device=device, dtype=model_output.dtype ) if self.variance_type == "fixed_small_log": variance = self._get_variance(t, predicted_variance=predicted_variance) * variance_noise elif self.variance_type == "learned_range": variance = self._get_variance(t, predicted_variance=predicted_variance) variance = torch.exp(0.5 * variance) * variance_noise else: variance = (self._get_variance(t, predicted_variance=predicted_variance) ** 0.5) * variance_noise pred_prev_sample = pred_prev_sample + variance if not return_dict: return (pred_prev_sample,) return DDPMSchedulerOutput(prev_sample=pred_prev_sample, pred_original_sample=pred_original_sample) def get_alpha_sigma_sqrts(self, timesteps, device, dtype, shape) -> torch.FloatTensor: # Make sure alphas_cumprod and timestep have same device and dtype as original_samples alphas_cumprod = self.alphas_cumprod.to(device=device, dtype=dtype) timesteps = timesteps.to(device) sqrt_alpha_prod = alphas_cumprod[timesteps] ** 0.5 sqrt_alpha_prod = sqrt_alpha_prod.flatten() while len(sqrt_alpha_prod.shape) < len(shape): sqrt_alpha_prod = sqrt_alpha_prod.unsqueeze(-1) sqrt_one_minus_alpha_prod = (1 - alphas_cumprod[timesteps]) ** 0.5 sqrt_one_minus_alpha_prod = sqrt_one_minus_alpha_prod.flatten() while len(sqrt_one_minus_alpha_prod.shape) < len(shape): sqrt_one_minus_alpha_prod = sqrt_one_minus_alpha_prod.unsqueeze(-1) return sqrt_alpha_prod, sqrt_one_minus_alpha_prod def add_noise( self, original_samples: torch.FloatTensor, noise: torch.FloatTensor, timesteps: torch.IntTensor, ) -> torch.FloatTensor: sqrt_alpha_prod, sqrt_one_minus_alpha_prod = self.get_alpha_sigma_sqrts(timesteps, original_samples.device, original_samples.dtype, original_samples.shape) noisy_samples = sqrt_alpha_prod * original_samples + sqrt_one_minus_alpha_prod * noise return noisy_samples def get_velocity( self, sample: torch.FloatTensor, noise: torch.FloatTensor, timesteps: torch.IntTensor ) -> torch.FloatTensor: sqrt_alpha_prod, sqrt_one_minus_alpha_prod = self.get_alpha_sigma_sqrts(timesteps, sample.device, sample.dtype, sample.shape) velocity = sqrt_alpha_prod * noise - sqrt_one_minus_alpha_prod * sample return velocity def get_noise( self, sample: torch.FloatTensor, velocity: torch.FloatTensor, timesteps: torch.IntTensor ) -> torch.FloatTensor: sqrt_alpha_prod, sqrt_one_minus_alpha_prod = self.get_alpha_sigma_sqrts(timesteps, sample.device, sample.dtype, sample.shape) noise = sqrt_alpha_prod * velocity + sqrt_one_minus_alpha_prod * sample return noise def __len__(self): return self.config.num_train_timesteps def previous_timestep(self, timestep): if self.custom_timesteps: index = (self.timesteps == timestep).nonzero(as_tuple=True)[0][0] if index == self.timesteps.shape[0] - 1: prev_t = torch.tensor(-1) else: prev_t = self.timesteps[index + 1] else: num_inference_steps = ( self.num_inference_steps if self.num_inference_steps else self.config.num_train_timesteps ) prev_t = timestep - self.config.num_train_timesteps // num_inference_steps return prev_t