scheduling_ddim_inverse.py

# Copyright 2025 The HuggingFace Team. All rights reserved.
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# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
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# 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, Literal, Optional, Tuple, Union

import numpy as np
import torch

from diffusers.configuration_utils import ConfigMixin, register_to_config
from diffusers.schedulers.scheduling_utils import SchedulerMixin
from diffusers.utils import BaseOutput, deprecate


@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.Tensor` 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.Tensor` 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.Tensor
    pred_original_sample: Optional[torch.Tensor] = None


# Copied from diffusers.schedulers.scheduling_ddpm.betas_for_alpha_bar
def betas_for_alpha_bar(
    num_diffusion_timesteps: int,
    max_beta: float = 0.999,
    alpha_transform_type: Literal["cosine", "exp"] = "cosine",
) -> 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`, defaults to `0.999`):
            The maximum beta to use; use values lower than 1 to avoid numerical instability.
        alpha_transform_type (`"cosine"` or `"exp"`, defaults to `"cosine"`):
            The type of noise schedule for `alpha_bar`. Choose from `cosine` or `exp`.

    Returns:
        `torch.Tensor`:
            The betas used by the scheduler to step the model outputs.
    """
    if alpha_transform_type == "cosine":

        def alpha_bar_fn(t):
            return math.cos((t + 0.008) / 1.008 * math.pi / 2) ** 2

    elif alpha_transform_type == "exp":

        def alpha_bar_fn(t):
            return math.exp(t * -12.0)

    else:
        raise ValueError(f"Unsupported alpha_transform_type: {alpha_transform_type}")

    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_fn(t2) / alpha_bar_fn(t1), max_beta))
    return torch.tensor(betas, dtype=torch.float32)


# Copied from diffusers.schedulers.scheduling_ddim.rescale_zero_terminal_snr
def rescale_zero_terminal_snr(betas):
    """
    Rescales betas to have zero terminal SNR Based on https://huggingface.co/papers/2305.08891 (Algorithm 1)

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

    Returns:
        `torch.Tensor`:
            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 DDIMInverseScheduler(SchedulerMixin, ConfigMixin):
    """
    `DDIMInverseScheduler` is the reverse scheduler of [`DDIMScheduler`].

    This model inherits from [`SchedulerMixin`] and [`ConfigMixin`]. Check the superclass documentation for the generic
    methods the library implements for all schedulers such as loading and saving.

    Args:
        num_train_timesteps (`int`, defaults to 1000):
            The number of diffusion steps to train the model.
        beta_start (`float`, defaults to 0.0001):
            The starting `beta` value of inference.
        beta_end (`float`, defaults to 0.02):
            The final `beta` value.
        beta_schedule (`str`, defaults to `"linear"`):
            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*):
            Pass an array of betas directly to the constructor to bypass `beta_start` and `beta_end`.
        clip_sample (`bool`, defaults to `True`):
            Clip the predicted sample for numerical stability.
        clip_sample_range (`float`, defaults to 1.0):
            The maximum magnitude for sample clipping. Valid only when `clip_sample=True`.
        set_alpha_to_one (`bool`, defaults to `True`):
            Each diffusion step uses the alphas product value 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 0, otherwise
            it uses the alpha value at step `num_train_timesteps - 1`.
        steps_offset (`int`, defaults to 0):
            An offset added to the inference steps, as required by some model families.
        prediction_type (`str`, defaults to `epsilon`, *optional*):
            Prediction type of the scheduler function; can be `epsilon` (predicts the noise of the diffusion process),
            `sample` (directly predicts the noisy sample`) or `v_prediction` (see section 2.4 of [Imagen
            Video](https://imagen.research.google/video/paper.pdf) paper).
        timestep_spacing (`str`, defaults to `"leading"`):
            The way the timesteps should be scaled. Refer to Table 2 of the [Common Diffusion Noise Schedules and
            Sample Steps are Flawed](https://huggingface.co/papers/2305.08891) for more information.
        rescale_betas_zero_snr (`bool`, defaults to `False`):
            Whether to rescale the betas to have zero terminal SNR. This enables 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).
    """

    order = 1
    ignore_for_config = ["kwargs"]
    _deprecated_kwargs = ["set_alpha_to_zero"]

    @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",
        clip_sample_range: float = 1.0,
        timestep_spacing: str = "leading",
        rescale_betas_zero_snr: bool = False,
        **kwargs,
    ):
        if kwargs.get("set_alpha_to_zero", None) is not None:
            deprecation_message = (
                "The `set_alpha_to_zero` argument is deprecated. Please use `set_alpha_to_one` instead."
            )
            deprecate("set_alpha_to_zero", "1.0.0", deprecation_message, standard_warn=False)
            set_alpha_to_one = kwargs["set_alpha_to_zero"]
        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} 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 inverted ddim, we are looking into the next alphas_cumprod
        # For the initial step, there is no current alphas_cumprod, and the index is out of bounds
        # `set_alpha_to_one` decides whether we set this parameter simply to one
        # in this case, self.step() just output the predicted noise
        # or whether we use the initial alpha used in training the diffusion model.
        self.initial_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).copy().astype(np.int64))

    # Copied from diffusers.schedulers.scheduling_ddim.DDIMScheduler.scale_model_input
    def scale_model_input(self, sample: torch.Tensor, timestep: Optional[int] = None) -> torch.Tensor:
        """
        Ensures interchangeability with schedulers that need to scale the denoising model input depending on the
        current timestep.

        Args:
            sample (`torch.Tensor`):
                The input sample.
            timestep (`int`, *optional*):
                The current timestep in the diffusion chain.

        Returns:
            `torch.Tensor`:
                A scaled input sample.
        """
        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 (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 2. of https://huggingface.co/papers/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().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)[::-1]).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.Tensor,
        timestep: int,
        sample: torch.Tensor,
        return_dict: bool = True,
    ) -> Union[DDIMSchedulerOutput, Tuple]:
        """
        Predict the sample from the previous timestep by reversing the SDE. This function propagates the diffusion
        process from the learned model outputs (most often the predicted noise).

        Args:
            model_output (`torch.Tensor`):
                The direct output from learned diffusion model.
            timestep (`float`):
                The current discrete timestep in the diffusion chain.
            sample (`torch.Tensor`):
                A current instance of a sample created by the diffusion process.
            eta (`float`):
                The weight of noise for added noise in diffusion step.
            use_clipped_model_output (`bool`, defaults to `False`):
                If `True`, computes "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` has no effect.
            variance_noise (`torch.Tensor`):
                Alternative to generating noise with `generator` by directly providing the noise for the variance
                itself. Useful for methods such as [`CycleDiffusion`].
            return_dict (`bool`, *optional*, defaults to `True`):
                Whether or not to return a [`~schedulers.scheduling_ddim_inverse.DDIMInverseSchedulerOutput`] or
                `tuple`.

        Returns:
            [`~schedulers.scheduling_ddim_inverse.DDIMInverseSchedulerOutput`] or `tuple`:
                If return_dict is `True`, [`~schedulers.scheduling_ddim_inverse.DDIMInverseSchedulerOutput`] is
                returned, otherwise a tuple is returned where the first element is the sample tensor.

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

        # 2. compute alphas, betas
        # change original implementation to exactly match noise levels for analogous forward process
        alpha_prod_t = self.alphas_cumprod[timestep] if timestep >= 0 else self.initial_alpha_cumprod
        alpha_prod_t_prev = self.alphas_cumprod[prev_timestep]

        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://huggingface.co/papers/2010.02502
        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.clip_sample:
            pred_original_sample = pred_original_sample.clamp(
                -self.config.clip_sample_range, self.config.clip_sample_range
            )

        # 5. compute "direction pointing to x_t" of formula (12) from https://huggingface.co/papers/2010.02502
        pred_sample_direction = (1 - alpha_prod_t_prev) ** (0.5) * pred_epsilon

        # 6. compute x_t without "random noise" of formula (12) from https://huggingface.co/papers/2010.02502
        prev_sample = alpha_prod_t_prev ** (0.5) * pred_original_sample + pred_sample_direction

        if not return_dict:
            return (prev_sample, pred_original_sample)
        return DDIMSchedulerOutput(prev_sample=prev_sample, pred_original_sample=pred_original_sample)

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