# Copyright 2022 Google Brain 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 file is strongly influenced by https://github.com/yang-song/score_sde_pytorch from dataclasses import dataclass from typing import Optional, Tuple, Union import flax import jax.numpy as jnp from jax import random from ..configuration_utils import ConfigMixin, register_to_config from .scheduling_utils_flax import FlaxSchedulerMixin, FlaxSchedulerOutput, broadcast_to_shape_from_left @flax.struct.dataclass class ScoreSdeVeSchedulerState: # setable values timesteps: Optional[jnp.ndarray] = None discrete_sigmas: Optional[jnp.ndarray] = None sigmas: Optional[jnp.ndarray] = None @classmethod def create(cls): return cls() @dataclass class FlaxSdeVeOutput(FlaxSchedulerOutput): """ Output class for the ScoreSdeVeScheduler's step function output. Args: state (`ScoreSdeVeSchedulerState`): prev_sample (`jnp.ndarray` 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. prev_sample_mean (`jnp.ndarray` of shape `(batch_size, num_channels, height, width)` for images): Mean averaged `prev_sample`. Same as `prev_sample`, only mean-averaged over previous timesteps. """ state: ScoreSdeVeSchedulerState prev_sample: jnp.ndarray prev_sample_mean: Optional[jnp.ndarray] = None class FlaxScoreSdeVeScheduler(FlaxSchedulerMixin, ConfigMixin): """ The variance exploding stochastic differential equation (SDE) scheduler. For more information, see the original paper: https://arxiv.org/abs/2011.13456 [`~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. Args: num_train_timesteps (`int`): number of diffusion steps used to train the model. snr (`float`): coefficient weighting the step from the model_output sample (from the network) to the random noise. sigma_min (`float`): initial noise scale for sigma sequence in sampling procedure. The minimum sigma should mirror the distribution of the data. sigma_max (`float`): maximum value used for the range of continuous timesteps passed into the model. sampling_eps (`float`): the end value of sampling, where timesteps decrease progressively from 1 to epsilon. correct_steps (`int`): number of correction steps performed on a produced sample. """ @property def has_state(self): return True @register_to_config def __init__( self, num_train_timesteps: int = 2000, snr: float = 0.15, sigma_min: float = 0.01, sigma_max: float = 1348.0, sampling_eps: float = 1e-5, correct_steps: int = 1, ): pass def create_state(self): state = ScoreSdeVeSchedulerState.create() return self.set_sigmas( state, self.config.num_train_timesteps, self.config.sigma_min, self.config.sigma_max, self.config.sampling_eps, ) def set_timesteps( self, state: ScoreSdeVeSchedulerState, num_inference_steps: int, shape: Tuple = (), sampling_eps: float = None ) -> ScoreSdeVeSchedulerState: """ Sets the continuous timesteps used for the diffusion chain. Supporting function to be run before inference. Args: state (`ScoreSdeVeSchedulerState`): the `FlaxScoreSdeVeScheduler` state data class instance. num_inference_steps (`int`): the number of diffusion steps used when generating samples with a pre-trained model. sampling_eps (`float`, optional): final timestep value (overrides value given at Scheduler instantiation). """ sampling_eps = sampling_eps if sampling_eps is not None else self.config.sampling_eps timesteps = jnp.linspace(1, sampling_eps, num_inference_steps) return state.replace(timesteps=timesteps) def set_sigmas( self, state: ScoreSdeVeSchedulerState, num_inference_steps: int, sigma_min: float = None, sigma_max: float = None, sampling_eps: float = None, ) -> ScoreSdeVeSchedulerState: """ Sets the noise scales used for the diffusion chain. Supporting function to be run before inference. The sigmas control the weight of the `drift` and `diffusion` components of sample update. Args: state (`ScoreSdeVeSchedulerState`): the `FlaxScoreSdeVeScheduler` state data class instance. num_inference_steps (`int`): the number of diffusion steps used when generating samples with a pre-trained model. sigma_min (`float`, optional): initial noise scale value (overrides value given at Scheduler instantiation). sigma_max (`float`, optional): final noise scale value (overrides value given at Scheduler instantiation). sampling_eps (`float`, optional): final timestep value (overrides value given at Scheduler instantiation). """ sigma_min = sigma_min if sigma_min is not None else self.config.sigma_min sigma_max = sigma_max if sigma_max is not None else self.config.sigma_max sampling_eps = sampling_eps if sampling_eps is not None else self.config.sampling_eps if state.timesteps is None: state = self.set_timesteps(state, num_inference_steps, sampling_eps) discrete_sigmas = jnp.exp(jnp.linspace(jnp.log(sigma_min), jnp.log(sigma_max), num_inference_steps)) sigmas = jnp.array([sigma_min * (sigma_max / sigma_min) ** t for t in state.timesteps]) return state.replace(discrete_sigmas=discrete_sigmas, sigmas=sigmas) def get_adjacent_sigma(self, state, timesteps, t): return jnp.where(timesteps == 0, jnp.zeros_like(t), state.discrete_sigmas[timesteps - 1]) def step_pred( self, state: ScoreSdeVeSchedulerState, model_output: jnp.ndarray, timestep: int, sample: jnp.ndarray, key: random.KeyArray, return_dict: bool = True, ) -> Union[FlaxSdeVeOutput, 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: state (`ScoreSdeVeSchedulerState`): the `FlaxScoreSdeVeScheduler` state data class instance. model_output (`jnp.ndarray`): direct output from learned diffusion model. timestep (`int`): current discrete timestep in the diffusion chain. sample (`jnp.ndarray`): current instance of sample being created by diffusion process. generator: random number generator. return_dict (`bool`): option for returning tuple rather than FlaxSdeVeOutput class Returns: [`FlaxSdeVeOutput`] or `tuple`: [`FlaxSdeVeOutput`] if `return_dict` is True, otherwise a `tuple`. When returning a tuple, the first element is the sample tensor. """ if state.timesteps is None: raise ValueError( "`state.timesteps` is not set, you need to run 'set_timesteps' after creating the scheduler" ) timestep = timestep * jnp.ones( sample.shape[0], ) timesteps = (timestep * (len(state.timesteps) - 1)).long() sigma = state.discrete_sigmas[timesteps] adjacent_sigma = self.get_adjacent_sigma(state, timesteps, timestep) drift = jnp.zeros_like(sample) diffusion = (sigma**2 - adjacent_sigma**2) ** 0.5 # equation 6 in the paper: the model_output modeled by the network is grad_x log pt(x) # also equation 47 shows the analog from SDE models to ancestral sampling methods diffusion = diffusion.flatten() diffusion = broadcast_to_shape_from_left(diffusion, sample.shape) drift = drift - diffusion**2 * model_output # equation 6: sample noise for the diffusion term of key = random.split(key, num=1) noise = random.normal(key=key, shape=sample.shape) prev_sample_mean = sample - drift # subtract because `dt` is a small negative timestep # TODO is the variable diffusion the correct scaling term for the noise? prev_sample = prev_sample_mean + diffusion * noise # add impact of diffusion field g if not return_dict: return (prev_sample, prev_sample_mean, state) return FlaxSdeVeOutput(prev_sample=prev_sample, prev_sample_mean=prev_sample_mean, state=state) def step_correct( self, state: ScoreSdeVeSchedulerState, model_output: jnp.ndarray, sample: jnp.ndarray, key: random.KeyArray, return_dict: bool = True, ) -> Union[FlaxSdeVeOutput, Tuple]: """ Correct the predicted sample based on the output model_output of the network. This is often run repeatedly after making the prediction for the previous timestep. Args: state (`ScoreSdeVeSchedulerState`): the `FlaxScoreSdeVeScheduler` state data class instance. model_output (`jnp.ndarray`): direct output from learned diffusion model. sample (`jnp.ndarray`): current instance of sample being created by diffusion process. generator: random number generator. return_dict (`bool`): option for returning tuple rather than FlaxSdeVeOutput class Returns: [`FlaxSdeVeOutput`] or `tuple`: [`FlaxSdeVeOutput`] if `return_dict` is True, otherwise a `tuple`. When returning a tuple, the first element is the sample tensor. """ if state.timesteps is None: raise ValueError( "`state.timesteps` is not set, you need to run 'set_timesteps' after creating the scheduler" ) # For small batch sizes, the paper "suggest replacing norm(z) with sqrt(d), where d is the dim. of z" # sample noise for correction key = random.split(key, num=1) noise = random.normal(key=key, shape=sample.shape) # compute step size from the model_output, the noise, and the snr grad_norm = jnp.linalg.norm(model_output) noise_norm = jnp.linalg.norm(noise) step_size = (self.config.snr * noise_norm / grad_norm) ** 2 * 2 step_size = step_size * jnp.ones(sample.shape[0]) # compute corrected sample: model_output term and noise term step_size = step_size.flatten() step_size = broadcast_to_shape_from_left(step_size, sample.shape) prev_sample_mean = sample + step_size * model_output prev_sample = prev_sample_mean + ((step_size * 2) ** 0.5) * noise if not return_dict: return (prev_sample, state) return FlaxSdeVeOutput(prev_sample=prev_sample, state=state) def __len__(self): return self.config.num_train_timesteps