scheduling_ddim_inverse.py

# Copyright 2023 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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#     http://www.apache.org/licenses/LICENSE-2.0
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# Unless required by applicable law or agreed to in writing, software
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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, 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.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,
    alpha_transform_type="cosine",
):
    """
    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.
        alpha_transform_type (`str`, *optional*, default to `cosine`): the type of noise schedule for alpha_bar.
                     Choose from `cosine` or `exp`

    Returns:
        betas (`np.ndarray`): 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_tranform_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://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 DDIMInverseScheduler(SchedulerMixin, ConfigMixin):
    """
    DDIMInverseScheduler is the reverse scheduler of [`DDIMScheduler`].

    [`~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_zero (`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 `0`,
            otherwise it uses the value of alpha at step `num_train_timesteps - 1`.
        steps_offset (`int`, default `0`):
            an offset added to the inference steps. You can use a combination of `offset=1` and
            `set_alpha_to_zero=False`, to make the last step use step `num_train_timesteps - 1` for the previous alpha
            product.
        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)
        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).
    """

    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} 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 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.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: 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().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'."
            )

        # Roll timesteps array by one to reflect reversed origin and destination semantics for each step
        timesteps = np.roll(timesteps, 1)
        timesteps[0] = int(timesteps[1] - step_ratio)
        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,
        variance_noise: Optional[torch.FloatTensor] = None,
        return_dict: bool = True,
    ) -> Union[DDIMSchedulerOutput, Tuple]:
        # 1. get previous step value (=t+1)
        prev_timestep = timestep + self.config.num_train_timesteps // self.num_inference_steps

        # 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://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.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://arxiv.org/pdf/2010.02502.pdf
        pred_sample_direction = (1 - alpha_prod_t_prev) ** (0.5) * pred_epsilon

        # 6. 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 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