scheduling_ddim.py

# Copyright 2023 Stanford University Team and The HuggingFace Team. All rights reserved.
#
# 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/pesser/pytorch_diffusion
# and https://github.com/hojonathanho/diffusion

import math
from dataclasses import dataclass
from typing import List, Optional, Tuple, Union

import numpy as np
import torch

from ..configuration_utils import ConfigMixin, register_to_config
from ..utils import BaseOutput, randn_tensor
from .scheduling_utils import KarrasDiffusionSchedulers, SchedulerMixin


@dataclass
# Copied from diffusers.schedulers.scheduling_ddpm.DDPMSchedulerOutput with DDPM->DDIM
class DDIMSchedulerOutput(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


# Copied from diffusers.schedulers.scheduling_ddpm.betas_for_alpha_bar
def betas_for_alpha_bar(num_diffusion_timesteps, max_beta=0.999) -> torch.Tensor:
    """
    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].

    Contains a function alpha_bar that takes an argument t and transforms it to the cumulative product of (1-beta) up
    to that part of the diffusion process.


    Args:
        num_diffusion_timesteps (`int`): the number of betas to produce.
        max_beta (`float`): the maximum beta to use; use values lower than 1 to
                     prevent singularities.

    Returns:
        betas (`np.ndarray`): the betas used by the scheduler to step the model outputs
    """

    def alpha_bar(time_step):
        return math.cos((time_step + 0.008) / 1.008 * math.pi / 2) ** 2

    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 torch.tensor(betas, dtype=torch.float32)


def rescale_zero_terminal_snr(betas):
    """
    Rescales betas to have zero terminal SNR Based on https://arxiv.org/pdf/2305.08891.pdf (Algorithm 1)


    Args:
        betas (`torch.FloatTensor`):
            the betas that the scheduler is being initialized with.

    Returns:
        `torch.FloatTensor`: rescaled betas with zero terminal SNR
    """
    # Convert betas to alphas_bar_sqrt
    alphas = 1.0 - betas
    alphas_cumprod = torch.cumprod(alphas, dim=0)
    alphas_bar_sqrt = alphas_cumprod.sqrt()

    # Store old values.
    alphas_bar_sqrt_0 = alphas_bar_sqrt[0].clone()
    alphas_bar_sqrt_T = alphas_bar_sqrt[-1].clone()

    # Shift so the last timestep is zero.
    alphas_bar_sqrt -= alphas_bar_sqrt_T

    # Scale so the first timestep is back to the old value.
    alphas_bar_sqrt *= alphas_bar_sqrt_0 / (alphas_bar_sqrt_0 - alphas_bar_sqrt_T)

    # Convert alphas_bar_sqrt to betas
    alphas_bar = alphas_bar_sqrt**2  # Revert sqrt
    alphas = alphas_bar[1:] / alphas_bar[:-1]  # Revert cumprod
    alphas = torch.cat([alphas_bar[0:1], alphas])
    betas = 1 - alphas

    return betas


class DDIMScheduler(SchedulerMixin, ConfigMixin):
    """
    Denoising diffusion implicit models is a scheduler that extends the denoising procedure introduced in denoising
    diffusion probabilistic models (DDPMs) with non-Markovian guidance.

    [`~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/2010.02502

    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`, or `squaredcos_cap_v2`.
        trained_betas (`np.ndarray`, optional):
            option to pass an array of betas directly to the constructor to bypass `beta_start`, `beta_end` etc.
        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`.
        set_alpha_to_one (`bool`, default `True`):
            each diffusion step uses the value of alphas product at that step and at the previous one. For the final
            step there is no previous alpha. When this option is `True` the previous alpha product is fixed to `1`,
            otherwise it uses the value of alpha at step 0.
        steps_offset (`int`, default `0`):
            an offset added to the inference steps. You can use a combination of `offset=1` and
            `set_alpha_to_one=False`, to make the last step use step 0 for the previous alpha product, as done in
            stable diffusion.
        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`.
        timestep_spacing (`str`, default `"leading"`):
            The way the timesteps should be scaled. Refer to Table 2. of [Common Diffusion Noise Schedules and Sample
            Steps are Flawed](https://arxiv.org/abs/2305.08891) for more information.
        rescale_betas_zero_snr (`bool`, default `False`):
            whether to rescale the betas to have zero terminal SNR (proposed by https://arxiv.org/pdf/2305.08891.pdf).
            This can enable the model to generate very bright and dark samples instead of limiting it to samples with
            medium brightness. Loosely related to
            [`--offset_noise`](https://github.com/huggingface/diffusers/blob/74fd735eb073eb1d774b1ab4154a0876eb82f055/examples/dreambooth/train_dreambooth.py#L506).
    """

    _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,
        clip_sample: bool = True,
        set_alpha_to_one: bool = True,
        steps_offset: int = 0,
        prediction_type: str = "epsilon",
        thresholding: bool = False,
        dynamic_thresholding_ratio: float = 0.995,
        clip_sample_range: float = 1.0,
        sample_max_value: float = 1.0,
        timestep_spacing: str = "leading",
        rescale_betas_zero_snr: bool = False,
    ):
        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)
        else:
            raise NotImplementedError(f"{beta_schedule} does is not implemented for {self.__class__}")

        # Rescale for zero SNR
        if rescale_betas_zero_snr:
            self.betas = rescale_zero_terminal_snr(self.betas)

        self.alphas = 1.0 - self.betas
        self.alphas_cumprod = torch.cumprod(self.alphas, dim=0)

        # At every step in ddim, we are looking into the previous alphas_cumprod
        # For the final step, there is no previous alphas_cumprod because we are already at 0
        # `set_alpha_to_one` decides whether we set this parameter simply to one or
        # whether we use the final alpha of the "non-previous" one.
        self.final_alpha_cumprod = torch.tensor(1.0) if set_alpha_to_one else self.alphas_cumprod[0]

        # standard deviation of the initial noise distribution
        self.init_noise_sigma = 1.0

        # setable values
        self.num_inference_steps = None
        self.timesteps = torch.from_numpy(np.arange(0, num_train_timesteps)[::-1].copy().astype(np.int64))

    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 _get_variance(self, timestep, prev_timestep):
        alpha_prod_t = self.alphas_cumprod[timestep]
        alpha_prod_t_prev = self.alphas_cumprod[prev_timestep] if prev_timestep >= 0 else self.final_alpha_cumprod
        beta_prod_t = 1 - alpha_prod_t
        beta_prod_t_prev = 1 - alpha_prod_t_prev

        variance = (beta_prod_t_prev / beta_prod_t) * (1 - alpha_prod_t / alpha_prod_t_prev)

        return variance

    # Copied from diffusers.schedulers.scheduling_ddpm.DDPMScheduler._threshold_sample
    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 set_timesteps(self, num_inference_steps: int, device: Union[str, torch.device] = None):
        """
        Sets the discrete timesteps used for the diffusion chain. Supporting function to be run before inference.

        Args:
            num_inference_steps (`int`):
                the number of diffusion steps used when generating samples with a pre-trained model.
        """

        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

        # "leading" and "trailing" corresponds to annotation of Table 1. of https://arxiv.org/abs/2305.08891
        if self.config.timestep_spacing == "leading":
            step_ratio = self.config.num_train_timesteps // self.num_inference_steps
            # creates integer timesteps by multiplying by ratio
            # casting to int to avoid issues when num_inference_step is power of 3
            timesteps = (np.arange(0, num_inference_steps) * step_ratio).round()[::-1].copy().astype(np.int64)
            timesteps += self.config.steps_offset
        elif self.config.timestep_spacing == "trailing":
            step_ratio = self.config.num_train_timesteps / self.num_inference_steps
            # creates integer timesteps by multiplying by ratio
            # casting to int to avoid issues when num_inference_step is power of 3
            timesteps = np.round(np.arange(self.config.num_train_timesteps, 0, -step_ratio)).astype(np.int64)
            timesteps -= 1
        else:
            raise ValueError(
                f"{self.config.timestep_spacing} is not supported. Please make sure to choose one of 'leading' or 'trailing'."
            )

        self.timesteps = torch.from_numpy(timesteps).to(device)

    def step(
        self,
        model_output: torch.FloatTensor,
        timestep: int,
        sample: torch.FloatTensor,
        eta: float = 0.0,
        use_clipped_model_output: bool = False,
        generator=None,
        variance_noise: Optional[torch.FloatTensor] = None,
        return_dict: bool = True,
    ) -> Union[DDIMSchedulerOutput, 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.
            eta (`float`): weight of noise for added noise in diffusion step.
            use_clipped_model_output (`bool`): if `True`, compute "corrected" `model_output` from the clipped
                predicted original sample. Necessary because predicted original sample is clipped to [-1, 1] when
                `self.config.clip_sample` is `True`. If no clipping has happened, "corrected" `model_output` would
                coincide with the one provided as input and `use_clipped_model_output` will have not effect.
            generator: random number generator.
            variance_noise (`torch.FloatTensor`): instead of generating noise for the variance using `generator`, we
                can directly provide the noise for the variance itself. This is useful for methods such as
                CycleDiffusion. (https://arxiv.org/abs/2210.05559)
            return_dict (`bool`): option for returning tuple rather than DDIMSchedulerOutput class

        Returns:
            [`~schedulers.scheduling_utils.DDIMSchedulerOutput`] or `tuple`:
            [`~schedulers.scheduling_utils.DDIMSchedulerOutput`] if `return_dict` is True, otherwise a `tuple`. When
            returning a tuple, the first element is the sample tensor.

        """
        if self.num_inference_steps is None:
            raise ValueError(
                "Number of inference steps is 'None', you need to run 'set_timesteps' after creating the scheduler"
            )

        # See formulas (12) and (16) of DDIM paper https://arxiv.org/pdf/2010.02502.pdf
        # Ideally, read DDIM paper in-detail understanding

        # Notation (<variable name> -> <name in paper>
        # - pred_noise_t -> e_theta(x_t, t)
        # - pred_original_sample -> f_theta(x_t, t) or x_0
        # - std_dev_t -> sigma_t
        # - eta -> η
        # - pred_sample_direction -> "direction pointing to x_t"
        # - pred_prev_sample -> "x_t-1"

        # 1. get previous step value (=t-1)
        prev_timestep = timestep - self.config.num_train_timesteps // self.num_inference_steps

        # 2. compute alphas, betas
        alpha_prod_t = self.alphas_cumprod[timestep]
        alpha_prod_t_prev = self.alphas_cumprod[prev_timestep] if prev_timestep >= 0 else self.final_alpha_cumprod

        beta_prod_t = 1 - alpha_prod_t

        # 3. compute predicted original sample from predicted noise also called
        # "predicted x_0" of formula (12) from https://arxiv.org/pdf/2010.02502.pdf
        if self.config.prediction_type == "epsilon":
            pred_original_sample = (sample - beta_prod_t ** (0.5) * model_output) / alpha_prod_t ** (0.5)
            pred_epsilon = model_output
        elif self.config.prediction_type == "sample":
            pred_original_sample = model_output
            pred_epsilon = (sample - alpha_prod_t ** (0.5) * pred_original_sample) / beta_prod_t ** (0.5)
        elif self.config.prediction_type == "v_prediction":
            pred_original_sample = (alpha_prod_t**0.5) * sample - (beta_prod_t**0.5) * model_output
            pred_epsilon = (alpha_prod_t**0.5) * model_output + (beta_prod_t**0.5) * sample
        else:
            raise ValueError(
                f"prediction_type given as {self.config.prediction_type} must be one of `epsilon`, `sample`, or"
                " `v_prediction`"
            )

        # 4. 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
            )

        # 5. compute variance: "sigma_t(η)" -> see formula (16)
        # σ_t = sqrt((1 − α_t−1)/(1 − α_t)) * sqrt(1 − α_t/α_t−1)
        variance = self._get_variance(timestep, prev_timestep)
        std_dev_t = eta * variance ** (0.5)

        if use_clipped_model_output:
            # the pred_epsilon is always re-derived from the clipped x_0 in Glide
            pred_epsilon = (sample - alpha_prod_t ** (0.5) * pred_original_sample) / beta_prod_t ** (0.5)

        # 6. compute "direction pointing to x_t" of formula (12) from https://arxiv.org/pdf/2010.02502.pdf
        pred_sample_direction = (1 - alpha_prod_t_prev - std_dev_t**2) ** (0.5) * pred_epsilon

        # 7. compute x_t without "random noise" of formula (12) from https://arxiv.org/pdf/2010.02502.pdf
        prev_sample = alpha_prod_t_prev ** (0.5) * pred_original_sample + pred_sample_direction

        if eta > 0:
            if variance_noise is not None and generator is not None:
                raise ValueError(
                    "Cannot pass both generator and variance_noise. Please make sure that either `generator` or"
                    " `variance_noise` stays `None`."
                )

            if variance_noise is None:
                variance_noise = randn_tensor(
                    model_output.shape, generator=generator, device=model_output.device, dtype=model_output.dtype
                )
            variance = std_dev_t * variance_noise

            prev_sample = prev_sample + variance

        if not return_dict:
            return (prev_sample,)

        return DDIMSchedulerOutput(prev_sample=prev_sample, pred_original_sample=pred_original_sample)

    # Copied from diffusers.schedulers.scheduling_ddpm.DDPMScheduler.add_noise
    def add_noise(
        self,
        original_samples: torch.FloatTensor,
        noise: torch.FloatTensor,
        timesteps: torch.IntTensor,
    ) -> torch.FloatTensor:
        # Make sure alphas_cumprod and timestep have same device and dtype as original_samples
        alphas_cumprod = self.alphas_cumprod.to(device=original_samples.device, dtype=original_samples.dtype)
        timesteps = timesteps.to(original_samples.device)

        sqrt_alpha_prod = alphas_cumprod[timesteps] ** 0.5
        sqrt_alpha_prod = sqrt_alpha_prod.flatten()
        while len(sqrt_alpha_prod.shape) < len(original_samples.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(original_samples.shape):
            sqrt_one_minus_alpha_prod = sqrt_one_minus_alpha_prod.unsqueeze(-1)

        noisy_samples = sqrt_alpha_prod * original_samples + sqrt_one_minus_alpha_prod * noise
        return noisy_samples

    # Copied from diffusers.schedulers.scheduling_ddpm.DDPMScheduler.get_velocity
    def get_velocity(
        self, sample: torch.FloatTensor, noise: torch.FloatTensor, timesteps: torch.IntTensor
    ) -> torch.FloatTensor:
        # Make sure alphas_cumprod and timestep have same device and dtype as sample
        alphas_cumprod = self.alphas_cumprod.to(device=sample.device, dtype=sample.dtype)
        timesteps = timesteps.to(sample.device)

        sqrt_alpha_prod = alphas_cumprod[timesteps] ** 0.5
        sqrt_alpha_prod = sqrt_alpha_prod.flatten()
        while len(sqrt_alpha_prod.shape) < len(sample.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(sample.shape):
            sqrt_one_minus_alpha_prod = sqrt_one_minus_alpha_prod.unsqueeze(-1)

        velocity = sqrt_alpha_prod * noise - sqrt_one_minus_alpha_prod * sample
        return velocity

    def __len__(self):
        return self.config.num_train_timesteps