Basic working example

cdim/diffusion/diffusion_pipeline.py

@@ -0,0 +1,53 @@
+import torch
+from tqdm import tqdm
+
+from cdim.image_utils import randn_tensor
+
+
+@torch.no_grad()
+def run_diffusion(
+        model,
+        scheduler,
+        noisy_observation,
+        operator,
+        noise_function,
+        device,
+        num_inference_steps: int = 1000,
+        K=5,
+        image_dim=256,
+        image_channels=3
+    ):
+    batch_size = noisy_observation.shape[0]
+    image_shape = (batch_size, image_channels, image_dim, image_dim)
+    image = randn_tensor(image_shape, device=device)
+
+    scheduler.set_timesteps(num_inference_steps, device=device)
+    t_skip = scheduler.timesteps[0] - scheduler.timesteps[1]
+
+    for i, t in tqdm(enumerate(scheduler.timesteps), total=len(scheduler.timesteps), desc="Processing timesteps"):
+         # 1. predict noise model_output
+        model_output = model(image, t.unsqueeze(0).to(device))[:, :3]
+
+        # 2. compute previous image: x_t -> x_t-1
+        image = scheduler.step(model_output, t, image).prev_sample
+        image.requires_grad_()
+        alpha_prod_t_prev = scheduler.alphas_cumprod[t-t_skip] if t-t_skip >= 0 else 1
+        beta_prod_t_prev = 1 - alpha_prod_t_prev
+        for j in range(K):
+            if t <= 0: break
+
+            with torch.enable_grad():
+                # Calculate x^hat_0
+                model_output = model(image, (t - t_skip).unsqueeze(0).to(device))[:, :3]
+                x_0 = (image - beta_prod_t_prev ** (0.5) * model_output) / alpha_prod_t_prev ** (0.5)
+
+                distance = operator(x_0) - noisy_observation
+                if (distance ** 2).mean() < noise_function.sigma ** 2:
+                    break
+                loss = ((distance) ** 2).mean()
+                print(loss.mean())
+                loss.mean().backward()
+
+            image -= 10 / torch.linalg.norm(image.grad) * image.grad
+
+    return image

cdim/diffusion/scheduling_ddim.py

@@ -0,0 +1,513 @@
+# Copyright 2024 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 collections import OrderedDict
+from typing import List, Optional, Tuple, Union
+
+import numpy as np
+import torch
+
+from cdim.image_utils import randn_tensor
+
+
+class FrozenDict(OrderedDict):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
+
+        for key, value in self.items():
+            setattr(self, key, value)
+
+        self.__frozen = True
+
+    def __delitem__(self, *args, **kwargs):
+        raise Exception(f"You cannot use ``__delitem__`` on a {self.__class__.__name__} instance.")
+
+    def setdefault(self, *args, **kwargs):
+        raise Exception(f"You cannot use ``setdefault`` on a {self.__class__.__name__} instance.")
+
+    def pop(self, *args, **kwargs):
+        raise Exception(f"You cannot use ``pop`` on a {self.__class__.__name__} instance.")
+
+    def update(self, *args, **kwargs):
+        raise Exception(f"You cannot use ``update`` on a {self.__class__.__name__} instance.")
+
+    def __setattr__(self, name, value):
+        if hasattr(self, "__frozen") and self.__frozen:
+            raise Exception(f"You cannot use ``__setattr__`` on a {self.__class__.__name__} instance.")
+        super().__setattr__(name, value)
+
+    def __setitem__(self, name, value):
+        if hasattr(self, "__frozen") and self.__frozen:
+            raise Exception(f"You cannot use ``__setattr__`` on a {self.__class__.__name__} instance.")
+        super().__setitem__(name, value)
+
+
+@dataclass
+# Copied from diffusers.schedulers.scheduling_ddpm.DDPMSchedulerOutput with DDPM->DDIM
+class DDIMSchedulerOutput:
+    """
+    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_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)
+
+
+class DDIMScheduler:
+    """
+    `DDIMScheduler` extends the denoising procedure introduced in denoising diffusion probabilistic models (DDPMs) with
+    non-Markovian guidance.
+
+    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 `1`,
+            otherwise it uses the alpha value at step 0.
+        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).
+        thresholding (`bool`, defaults to `False`):
+            Whether to use the "dynamic thresholding" method. This is unsuitable for latent-space diffusion models such
+            as Stable Diffusion.
+        dynamic_thresholding_ratio (`float`, defaults to 0.995):
+            The ratio for the dynamic thresholding method. Valid only when `thresholding=True`.
+        sample_max_value (`float`, defaults to 1.0):
+            The threshold value for dynamic thresholding. Valid only when `thresholding=True`.
+        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).
+    """
+    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",
+    ):
+
+        # Hacky way to replicate diffusers register to config
+        self.config = FrozenDict(
+            {key: value for key, value in locals().items() if key != "self"}
+        )
+        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__}")
+
+        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`):
+                The input sample.
+            timestep (`int`, *optional*):
+                The current timestep in the diffusion chain.
+
+        Returns:
+            `torch.FloatTensor`:
+                A 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, *remaining_dims = 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 * np.prod(remaining_dims))
+
+        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, *remaining_dims)
+        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 (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
+
+        # "linspace", "leading", "trailing" corresponds to annotation of Table 2. of https://arxiv.org/abs/2305.08891
+        if self.config.timestep_spacing == "linspace":
+            timesteps = (
+                np.linspace(0, self.config.num_train_timesteps - 1, num_inference_steps)
+                .round()[::-1]
+                .copy()
+                .astype(np.int64)
+            )
+        elif 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,
+        original_image = None
+    ) -> 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.FloatTensor`):
+                The direct output from learned diffusion model.
+            timestep (`float`):
+                The current discrete timestep in the diffusion chain.
+            sample (`torch.FloatTensor`):
+                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.
+            generator (`torch.Generator`, *optional*):
+                A random number generator.
+            variance_noise (`torch.FloatTensor`):
+                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.DDIMSchedulerOutput`] or `tuple`.
+
+        Returns:
+            [`~schedulers.scheduling_utils.DDIMSchedulerOutput`] or `tuple`:
+                If return_dict is `True`, [`~schedulers.scheduling_ddim.DDIMSchedulerOutput`] is returned, otherwise a
+                tuple is returned where 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
+            )
+
+        # pred_original_sample[:, :, 128:, :] = original_image[:, :, 128:, :]
+
+        # 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
+        # Move the self.alphas_cumprod to device to avoid redundant CPU to GPU data movement
+        # for the subsequent add_noise calls
+        self.alphas_cumprod = self.alphas_cumprod.to(device=original_samples.device)
+        alphas_cumprod = self.alphas_cumprod.to(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
+        self.alphas_cumprod = self.alphas_cumprod.to(device=sample.device)
+        alphas_cumprod = self.alphas_cumprod.to(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

cdim/dps_model/dps_unet.py

@@ -0,0 +1,1118 @@
+# Code based on https://github.com/DPS2022/diffusion-posterior-sampling
+from abc import abstractmethod
+
+import math
+
+import numpy as np
+import torch as th
+import torch.nn as nn
+import torch.nn.functional as F
+import functools
+
+from .fp16_util import convert_module_to_f16, convert_module_to_f32
+from .nn import (
+    checkpoint,
+    conv_nd,
+    linear,
+    avg_pool_nd,
+    zero_module,
+    normalization,
+    timestep_embedding,
+)
+
+
+NUM_CLASSES = 1000
+
+def create_model(
+    image_size,
+    num_channels,
+    num_res_blocks,
+    channel_mult="",
+    learn_sigma=False,
+    class_cond=False,
+    use_checkpoint=False,
+    attention_resolutions="16",
+    num_heads=1,
+    num_head_channels=-1,
+    num_heads_upsample=-1,
+    use_scale_shift_norm=False,
+    dropout=0,
+    resblock_updown=False,
+    use_fp16=False,
+    use_new_attention_order=False,
+    model_path='',
+):
+    if channel_mult == "":
+        if image_size == 512:
+            channel_mult = (0.5, 1, 1, 2, 2, 4, 4)
+        elif image_size == 256:
+            channel_mult = (1, 1, 2, 2, 4, 4)
+        elif image_size == 128:
+            channel_mult = (1, 1, 2, 3, 4)
+        elif image_size == 64:
+            channel_mult = (1, 2, 3, 4)
+        else:
+            raise ValueError(f"unsupported image size: {image_size}")
+    else:
+        channel_mult = tuple(int(ch_mult) for ch_mult in channel_mult.split(","))
+
+    attention_ds = []
+    if isinstance(attention_resolutions, int):
+        attention_ds.append(image_size // attention_resolutions)
+    elif isinstance(attention_resolutions, str):
+        for res in attention_resolutions.split(","):
+            attention_ds.append(image_size // int(res))
+    else:
+        raise NotImplementedError
+
+    model= UNetModel(
+        image_size=image_size,
+        in_channels=3,
+        model_channels=num_channels,
+        out_channels=(3 if not learn_sigma else 6),
+        num_res_blocks=num_res_blocks,
+        attention_resolutions=tuple(attention_ds),
+        dropout=dropout,
+        channel_mult=channel_mult,
+        num_classes=(NUM_CLASSES if class_cond else None),
+        use_checkpoint=use_checkpoint,
+        use_fp16=use_fp16,
+        num_heads=num_heads,
+        num_head_channels=num_head_channels,
+        num_heads_upsample=num_heads_upsample,
+        use_scale_shift_norm=use_scale_shift_norm,
+        resblock_updown=resblock_updown,
+        use_new_attention_order=use_new_attention_order,
+    )
+
+    try:
+        model.load_state_dict(th.load(model_path, map_location='cpu'))
+    except Exception as e:
+        print(f"Got exception: {e} / Randomly initialize")
+    return model
+
+class AttentionPool2d(nn.Module):
+    """
+    Adapted from CLIP: https://github.com/openai/CLIP/blob/main/clip/model.py
+    """
+
+    def __init__(
+        self,
+        spacial_dim: int,
+        embed_dim: int,
+        num_heads_channels: int,
+        output_dim: int = None,
+    ):
+        super().__init__()
+        self.positional_embedding = nn.Parameter(
+            th.randn(embed_dim, spacial_dim ** 2 + 1) / embed_dim ** 0.5
+        )
+        self.qkv_proj = conv_nd(1, embed_dim, 3 * embed_dim, 1)
+        self.c_proj = conv_nd(1, embed_dim, output_dim or embed_dim, 1)
+        self.num_heads = embed_dim // num_heads_channels
+        self.attention = QKVAttention(self.num_heads)
+
+    def forward(self, x):
+        b, c, *_spatial = x.shape
+        x = x.reshape(b, c, -1)  # NC(HW)
+        x = th.cat([x.mean(dim=-1, keepdim=True), x], dim=-1)  # NC(HW+1)
+        x = x + self.positional_embedding[None, :, :].to(x.dtype)  # NC(HW+1)
+        x = self.qkv_proj(x)
+        x = self.attention(x)
+        x = self.c_proj(x)
+        return x[:, :, 0]
+
+
+class TimestepBlock(nn.Module):
+    """
+    Any module where forward() takes timestep embeddings as a second argument.
+    """
+
+    @abstractmethod
+    def forward(self, x, emb):
+        """
+        Apply the module to `x` given `emb` timestep embeddings.
+        """
+
+
+class TimestepEmbedSequential(nn.Sequential, TimestepBlock):
+    """
+    A sequential module that passes timestep embeddings to the children that
+    support it as an extra input.
+    """
+
+    def forward(self, x, emb):
+        for layer in self:
+            if isinstance(layer, TimestepBlock):
+                x = layer(x, emb)
+            else:
+                x = layer(x)
+        return x
+
+
+class Upsample(nn.Module):
+    """
+    An upsampling layer with an optional convolution.
+
+    :param channels: channels in the inputs and outputs.
+    :param use_conv: a bool determining if a convolution is applied.
+    :param dims: determines if the signal is 1D, 2D, or 3D. If 3D, then
+                 upsampling occurs in the inner-two dimensions.
+    """
+
+    def __init__(self, channels, use_conv, dims=2, out_channels=None):
+        super().__init__()
+        self.channels = channels
+        self.out_channels = out_channels or channels
+        self.use_conv = use_conv
+        self.dims = dims
+        if use_conv:
+            self.conv = conv_nd(dims, self.channels, self.out_channels, 3, padding=1)
+
+    def forward(self, x):
+        assert x.shape[1] == self.channels
+        if self.dims == 3:
+            x = F.interpolate(
+                x, (x.shape[2], x.shape[3] * 2, x.shape[4] * 2), mode="nearest"
+            )
+        else:
+            x = F.interpolate(x, scale_factor=2, mode="nearest")
+        if self.use_conv:
+            x = self.conv(x)
+        return x
+
+
+class Downsample(nn.Module):
+    """
+    A downsampling layer with an optional convolution.
+
+    :param channels: channels in the inputs and outputs.
+    :param use_conv: a bool determining if a convolution is applied.
+    :param dims: determines if the signal is 1D, 2D, or 3D. If 3D, then
+                 downsampling occurs in the inner-two dimensions.
+    """
+
+    def __init__(self, channels, use_conv, dims=2, out_channels=None):
+        super().__init__()
+        self.channels = channels
+        self.out_channels = out_channels or channels
+        self.use_conv = use_conv
+        self.dims = dims
+        stride = 2 if dims != 3 else (1, 2, 2)
+        if use_conv:
+            self.op = conv_nd(
+                dims, self.channels, self.out_channels, 3, stride=stride, padding=1
+            )
+        else:
+            assert self.channels == self.out_channels
+            self.op = avg_pool_nd(dims, kernel_size=stride, stride=stride)
+
+    def forward(self, x):
+        assert x.shape[1] == self.channels
+        return self.op(x)
+
+
+class ResBlock(TimestepBlock):
+    """
+    A residual block that can optionally change the number of channels.
+
+    :param channels: the number of input channels.
+    :param emb_channels: the number of timestep embedding channels.
+    :param dropout: the rate of dropout.
+    :param out_channels: if specified, the number of out channels.
+    :param use_conv: if True and out_channels is specified, use a spatial
+        convolution instead of a smaller 1x1 convolution to change the
+        channels in the skip connection.
+    :param dims: determines if the signal is 1D, 2D, or 3D.
+    :param use_checkpoint: if True, use gradient checkpointing on this module.
+    :param up: if True, use this block for upsampling.
+    :param down: if True, use this block for downsampling.
+    """
+
+    def __init__(
+        self,
+        channels,
+        emb_channels,
+        dropout,
+        out_channels=None,
+        use_conv=False,
+        use_scale_shift_norm=False,
+        dims=2,
+        use_checkpoint=False,
+        up=False,
+        down=False,
+    ):
+        super().__init__()
+        self.channels = channels
+        self.emb_channels = emb_channels
+        self.dropout = dropout
+        self.out_channels = out_channels or channels
+        self.use_conv = use_conv
+        self.use_checkpoint = use_checkpoint
+        self.use_scale_shift_norm = use_scale_shift_norm
+
+        self.in_layers = nn.Sequential(
+            normalization(channels),
+            nn.SiLU(),
+            conv_nd(dims, channels, self.out_channels, 3, padding=1),
+        )
+
+        self.updown = up or down
+
+        if up:
+            self.h_upd = Upsample(channels, False, dims)
+            self.x_upd = Upsample(channels, False, dims)
+        elif down:
+            self.h_upd = Downsample(channels, False, dims)
+            self.x_upd = Downsample(channels, False, dims)
+        else:
+            self.h_upd = self.x_upd = nn.Identity()
+
+        self.emb_layers = nn.Sequential(
+            nn.SiLU(),
+            linear(
+                emb_channels,
+                2 * self.out_channels if use_scale_shift_norm else self.out_channels,
+            ),
+        )
+        self.out_layers = nn.Sequential(
+            normalization(self.out_channels),
+            nn.SiLU(),
+            nn.Dropout(p=dropout),
+            zero_module(
+                conv_nd(dims, self.out_channels, self.out_channels, 3, padding=1)
+            ),
+        )
+
+        if self.out_channels == channels:
+            self.skip_connection = nn.Identity()
+        elif use_conv:
+            self.skip_connection = conv_nd(
+                dims, channels, self.out_channels, 3, padding=1
+            )
+        else:
+            self.skip_connection = conv_nd(dims, channels, self.out_channels, 1)
+
+    def forward(self, x, emb):
+        """
+        Apply the block to a Tensor, conditioned on a timestep embedding.
+
+        :param x: an [N x C x ...] Tensor of features.
+        :param emb: an [N x emb_channels] Tensor of timestep embeddings.
+        :return: an [N x C x ...] Tensor of outputs.
+        """
+        return checkpoint(
+            self._forward, (x, emb), self.parameters(), self.use_checkpoint
+        )
+
+    def _forward(self, x, emb):
+        if self.updown:
+            in_rest, in_conv = self.in_layers[:-1], self.in_layers[-1]
+            h = in_rest(x)
+            h = self.h_upd(h)
+            x = self.x_upd(x)
+            h = in_conv(h)
+        else:
+            h = self.in_layers(x)
+        emb_out = self.emb_layers(emb).type(h.dtype)
+        while len(emb_out.shape) < len(h.shape):
+            emb_out = emb_out[..., None]
+        if self.use_scale_shift_norm:
+            out_norm, out_rest = self.out_layers[0], self.out_layers[1:]
+            scale, shift = th.chunk(emb_out, 2, dim=1)
+            h = out_norm(h) * (1 + scale) + shift
+            h = out_rest(h)
+        else:
+            h = h + emb_out
+            h = self.out_layers(h)
+        return self.skip_connection(x) + h
+
+
+class AttentionBlock(nn.Module):
+    """
+    An attention block that allows spatial positions to attend to each other.
+
+    Originally ported from here, but adapted to the N-d case.
+    https://github.com/hojonathanho/diffusion/blob/1e0dceb3b3495bbe19116a5e1b3596cd0706c543/diffusion_tf/models/unet.py#L66.
+    """
+
+    def __init__(
+        self,
+        channels,
+        num_heads=1,
+        num_head_channels=-1,
+        use_checkpoint=False,
+        use_new_attention_order=False,
+    ):
+        super().__init__()
+        self.channels = channels
+        if num_head_channels == -1:
+            self.num_heads = num_heads
+        else:
+            assert (
+                channels % num_head_channels == 0
+            ), f"q,k,v channels {channels} is not divisible by num_head_channels {num_head_channels}"
+            self.num_heads = channels // num_head_channels
+        self.use_checkpoint = use_checkpoint
+        self.norm = normalization(channels)
+        self.qkv = conv_nd(1, channels, channels * 3, 1)
+        if use_new_attention_order:
+            # split qkv before split heads
+            self.attention = QKVAttention(self.num_heads)
+        else:
+            # split heads before split qkv
+            self.attention = QKVAttentionLegacy(self.num_heads)
+
+        self.proj_out = zero_module(conv_nd(1, channels, channels, 1))
+
+    def forward(self, x):
+        return checkpoint(self._forward, (x,), self.parameters(), True)
+
+    def _forward(self, x):
+        b, c, *spatial = x.shape
+        x = x.reshape(b, c, -1)
+        qkv = self.qkv(self.norm(x))
+        h = self.attention(qkv)
+        h = self.proj_out(h)
+        return (x + h).reshape(b, c, *spatial)
+
+
+def count_flops_attn(model, _x, y):
+    """
+    A counter for the `thop` package to count the operations in an
+    attention operation.
+    Meant to be used like:
+        macs, params = thop.profile(
+            model,
+            inputs=(inputs, timestamps),
+            custom_ops={QKVAttention: QKVAttention.count_flops},
+        )
+    """
+    b, c, *spatial = y[0].shape
+    num_spatial = int(np.prod(spatial))
+    # We perform two matmuls with the same number of ops.
+    # The first computes the weight matrix, the second computes
+    # the combination of the value vectors.
+    matmul_ops = 2 * b * (num_spatial ** 2) * c
+    model.total_ops += th.DoubleTensor([matmul_ops])
+
+
+class QKVAttentionLegacy(nn.Module):
+    """
+    A module which performs QKV attention. Matches legacy QKVAttention + input/ouput heads shaping
+    """
+
+    def __init__(self, n_heads):
+        super().__init__()
+        self.n_heads = n_heads
+
+    def forward(self, qkv):
+        """
+        Apply QKV attention.
+
+        :param qkv: an [N x (H * 3 * C) x T] tensor of Qs, Ks, and Vs.
+        :return: an [N x (H * C) x T] tensor after attention.
+        """
+        bs, width, length = qkv.shape
+        assert width % (3 * self.n_heads) == 0
+        ch = width // (3 * self.n_heads)
+        q, k, v = qkv.reshape(bs * self.n_heads, ch * 3, length).split(ch, dim=1)
+        scale = 1 / math.sqrt(math.sqrt(ch))
+        weight = th.einsum(
+            "bct,bcs->bts", q * scale, k * scale
+        )  # More stable with f16 than dividing afterwards
+        weight = th.softmax(weight.float(), dim=-1).type(weight.dtype)
+        a = th.einsum("bts,bcs->bct", weight, v)
+        return a.reshape(bs, -1, length)
+
+    @staticmethod
+    def count_flops(model, _x, y):
+        return count_flops_attn(model, _x, y)
+
+
+class QKVAttention(nn.Module):
+    """
+    A module which performs QKV attention and splits in a different order.
+    """
+
+    def __init__(self, n_heads):
+        super().__init__()
+        self.n_heads = n_heads
+
+    def forward(self, qkv):
+        """
+        Apply QKV attention.
+
+        :param qkv: an [N x (3 * H * C) x T] tensor of Qs, Ks, and Vs.
+        :return: an [N x (H * C) x T] tensor after attention.
+        """
+        bs, width, length = qkv.shape
+        assert width % (3 * self.n_heads) == 0
+        ch = width // (3 * self.n_heads)
+        q, k, v = qkv.chunk(3, dim=1)
+        scale = 1 / math.sqrt(math.sqrt(ch))
+        weight = th.einsum(
+            "bct,bcs->bts",
+            (q * scale).view(bs * self.n_heads, ch, length),
+            (k * scale).view(bs * self.n_heads, ch, length),
+        )  # More stable with f16 than dividing afterwards
+        weight = th.softmax(weight.float(), dim=-1).type(weight.dtype)
+        a = th.einsum("bts,bcs->bct", weight, v.reshape(bs * self.n_heads, ch, length))
+        return a.reshape(bs, -1, length)
+
+    @staticmethod
+    def count_flops(model, _x, y):
+        return count_flops_attn(model, _x, y)
+
+
+class UNetModel(nn.Module):
+    """
+    The full UNet model with attention and timestep embedding.
+
+    :param in_channels: channels in the input Tensor.
+    :param model_channels: base channel count for the model.
+    :param out_channels: channels in the output Tensor.
+    :param num_res_blocks: number of residual blocks per downsample.
+    :param attention_resolutions: a collection of downsample rates at which
+        attention will take place. May be a set, list, or tuple.
+        For example, if this contains 4, then at 4x downsampling, attention
+        will be used.
+    :param dropout: the dropout probability.
+    :param channel_mult: channel multiplier for each level of the UNet.
+    :param conv_resample: if True, use learned convolutions for upsampling and
+        downsampling.
+    :param dims: determines if the signal is 1D, 2D, or 3D.
+    :param num_classes: if specified (as an int), then this model will be
+        class-conditional with `num_classes` classes.
+    :param use_checkpoint: use gradient checkpointing to reduce memory usage.
+    :param num_heads: the number of attention heads in each attention layer.
+    :param num_heads_channels: if specified, ignore num_heads and instead use
+                               a fixed channel width per attention head.
+    :param num_heads_upsample: works with num_heads to set a different number
+                               of heads for upsampling. Deprecated.
+    :param use_scale_shift_norm: use a FiLM-like conditioning mechanism.
+    :param resblock_updown: use residual blocks for up/downsampling.
+    :param use_new_attention_order: use a different attention pattern for potentially
+                                    increased efficiency.
+    """
+
+    def __init__(
+        self,
+        image_size,
+        in_channels,
+        model_channels,
+        out_channels,
+        num_res_blocks,
+        attention_resolutions,
+        dropout=0,
+        channel_mult=(1, 2, 4, 8),
+        conv_resample=True,
+        dims=2,
+        num_classes=None,
+        use_checkpoint=False,
+        use_fp16=False,
+        num_heads=1,
+        num_head_channels=-1,
+        num_heads_upsample=-1,
+        use_scale_shift_norm=False,
+        resblock_updown=False,
+        use_new_attention_order=False,
+    ):
+        super().__init__()
+
+        if num_heads_upsample == -1:
+            num_heads_upsample = num_heads
+
+        self.image_size = image_size
+        self.in_channels = in_channels
+        self.model_channels = model_channels
+        self.out_channels = out_channels
+        self.num_res_blocks = num_res_blocks
+        self.attention_resolutions = attention_resolutions
+        self.dropout = dropout
+        self.channel_mult = channel_mult
+        self.conv_resample = conv_resample
+        self.num_classes = num_classes
+        self.use_checkpoint = use_checkpoint
+        self.dtype = th.float16 if use_fp16 else th.float32
+        self.num_heads = num_heads
+        self.num_head_channels = num_head_channels
+        self.num_heads_upsample = num_heads_upsample
+
+        time_embed_dim = model_channels * 4
+        self.time_embed = nn.Sequential(
+            linear(model_channels, time_embed_dim),
+            nn.SiLU(),
+            linear(time_embed_dim, time_embed_dim),
+        )
+
+        if self.num_classes is not None:
+            self.label_emb = nn.Embedding(num_classes, time_embed_dim)
+
+        ch = input_ch = int(channel_mult[0] * model_channels)
+        self.input_blocks = nn.ModuleList(
+            [TimestepEmbedSequential(conv_nd(dims, in_channels, ch, 3, padding=1))]
+        )
+        self._feature_size = ch
+        input_block_chans = [ch]
+        ds = 1
+        for level, mult in enumerate(channel_mult):
+            for _ in range(num_res_blocks):
+                layers = [
+                    ResBlock(
+                        ch,
+                        time_embed_dim,
+                        dropout,
+                        out_channels=int(mult * model_channels),
+                        dims=dims,
+                        use_checkpoint=use_checkpoint,
+                        use_scale_shift_norm=use_scale_shift_norm,
+                    )
+                ]
+                ch = int(mult * model_channels)
+                if ds in attention_resolutions:
+                    layers.append(
+                        AttentionBlock(
+                            ch,
+                            use_checkpoint=use_checkpoint,
+                            num_heads=num_heads,
+                            num_head_channels=num_head_channels,
+                            use_new_attention_order=use_new_attention_order,
+                        )
+                    )
+                self.input_blocks.append(TimestepEmbedSequential(*layers))
+                self._feature_size += ch
+                input_block_chans.append(ch)
+            if level != len(channel_mult) - 1:
+                out_ch = ch
+                self.input_blocks.append(
+                    TimestepEmbedSequential(
+                        ResBlock(
+                            ch,
+                            time_embed_dim,
+                            dropout,
+                            out_channels=out_ch,
+                            dims=dims,
+                            use_checkpoint=use_checkpoint,
+                            use_scale_shift_norm=use_scale_shift_norm,
+                            down=True,
+                        )
+                        if resblock_updown
+                        else Downsample(
+                            ch, conv_resample, dims=dims, out_channels=out_ch
+                        )
+                    )
+                )
+                ch = out_ch
+                input_block_chans.append(ch)
+                ds *= 2
+                self._feature_size += ch
+
+        self.middle_block = TimestepEmbedSequential(
+            ResBlock(
+                ch,
+                time_embed_dim,
+                dropout,
+                dims=dims,
+                use_checkpoint=use_checkpoint,
+                use_scale_shift_norm=use_scale_shift_norm,
+            ),
+            AttentionBlock(
+                ch,
+                use_checkpoint=use_checkpoint,
+                num_heads=num_heads,
+                num_head_channels=num_head_channels,
+                use_new_attention_order=use_new_attention_order,
+            ),
+            ResBlock(
+                ch,
+                time_embed_dim,
+                dropout,
+                dims=dims,
+                use_checkpoint=use_checkpoint,
+                use_scale_shift_norm=use_scale_shift_norm,
+            ),
+        )
+        self._feature_size += ch
+
+        self.output_blocks = nn.ModuleList([])
+        for level, mult in list(enumerate(channel_mult))[::-1]:
+            for i in range(num_res_blocks + 1):
+                ich = input_block_chans.pop()
+                layers = [
+                    ResBlock(
+                        ch + ich,
+                        time_embed_dim,
+                        dropout,
+                        out_channels=int(model_channels * mult),
+                        dims=dims,
+                        use_checkpoint=use_checkpoint,
+                        use_scale_shift_norm=use_scale_shift_norm,
+                    )
+                ]
+                ch = int(model_channels * mult)
+                if ds in attention_resolutions:
+                    layers.append(
+                        AttentionBlock(
+                            ch,
+                            use_checkpoint=use_checkpoint,
+                            num_heads=num_heads_upsample,
+                            num_head_channels=num_head_channels,
+                            use_new_attention_order=use_new_attention_order,
+                        )
+                    )
+                if level and i == num_res_blocks:
+                    out_ch = ch
+                    layers.append(
+                        ResBlock(
+                            ch,
+                            time_embed_dim,
+                            dropout,
+                            out_channels=out_ch,
+                            dims=dims,
+                            use_checkpoint=use_checkpoint,
+                            use_scale_shift_norm=use_scale_shift_norm,
+                            up=True,
+                        )
+                        if resblock_updown
+                        else Upsample(ch, conv_resample, dims=dims, out_channels=out_ch)
+                    )
+                    ds //= 2
+                self.output_blocks.append(TimestepEmbedSequential(*layers))
+                self._feature_size += ch
+
+        self.out = nn.Sequential(
+            normalization(ch),
+            nn.SiLU(),
+            zero_module(conv_nd(dims, input_ch, out_channels, 3, padding=1)),
+        )
+
+    def convert_to_fp16(self):
+        """
+        Convert the torso of the model to float16.
+        """
+        self.input_blocks.apply(convert_module_to_f16)
+        self.middle_block.apply(convert_module_to_f16)
+        self.output_blocks.apply(convert_module_to_f16)
+
+    def convert_to_fp32(self):
+        """
+        Convert the torso of the model to float32.
+        """
+        self.input_blocks.apply(convert_module_to_f32)
+        self.middle_block.apply(convert_module_to_f32)
+        self.output_blocks.apply(convert_module_to_f32)
+
+    def forward(self, x, timesteps, y=None):
+        """
+        Apply the model to an input batch.
+
+        :param x: an [N x C x ...] Tensor of inputs.
+        :param timesteps: a 1-D batch of timesteps.
+        :param y: an [N] Tensor of labels, if class-conditional.
+        :return: an [N x C x ...] Tensor of outputs.
+        """
+        assert (y is not None) == (
+            self.num_classes is not None
+        ), "must specify y if and only if the model is class-conditional"
+
+        hs = []
+        emb = self.time_embed(timestep_embedding(timesteps, self.model_channels))
+
+        if self.num_classes is not None:
+            assert y.shape == (x.shape[0],)
+            emb = emb + self.label_emb(y)
+
+        h = x.type(self.dtype)
+        for module in self.input_blocks:
+            h = module(h, emb)
+            hs.append(h)
+        h = self.middle_block(h, emb)
+        for module in self.output_blocks:
+            h = th.cat([h, hs.pop()], dim=1)
+            h = module(h, emb)
+        h = h.type(x.dtype)
+        return self.out(h)
+
+
+class SuperResModel(UNetModel):
+    """
+    A UNetModel that performs super-resolution.
+
+    Expects an extra kwarg `low_res` to condition on a low-resolution image.
+    """
+
+    def __init__(self, image_size, in_channels, *args, **kwargs):
+        super().__init__(image_size, in_channels * 2, *args, **kwargs)
+
+    def forward(self, x, timesteps, low_res=None, **kwargs):
+        _, _, new_height, new_width = x.shape
+        upsampled = F.interpolate(low_res, (new_height, new_width), mode="bilinear")
+        x = th.cat([x, upsampled], dim=1)
+        return super().forward(x, timesteps, **kwargs)
+
+
+class EncoderUNetModel(nn.Module):
+    """
+    The half UNet model with attention and timestep embedding.
+
+    For usage, see UNet.
+    """
+
+    def __init__(
+        self,
+        image_size,
+        in_channels,
+        model_channels,
+        out_channels,
+        num_res_blocks,
+        attention_resolutions,
+        dropout=0,
+        channel_mult=(1, 2, 4, 8),
+        conv_resample=True,
+        dims=2,
+        use_checkpoint=False,
+        use_fp16=False,
+        num_heads=1,
+        num_head_channels=-1,
+        num_heads_upsample=-1,
+        use_scale_shift_norm=False,
+        resblock_updown=False,
+        use_new_attention_order=False,
+        pool="adaptive",
+    ):
+        super().__init__()
+
+        if num_heads_upsample == -1:
+            num_heads_upsample = num_heads
+
+        self.in_channels = in_channels
+        self.model_channels = model_channels
+        self.out_channels = out_channels
+        self.num_res_blocks = num_res_blocks
+        self.attention_resolutions = attention_resolutions
+        self.dropout = dropout
+        self.channel_mult = channel_mult
+        self.conv_resample = conv_resample
+        self.use_checkpoint = use_checkpoint
+        self.dtype = th.float16 if use_fp16 else th.float32
+        self.num_heads = num_heads
+        self.num_head_channels = num_head_channels
+        self.num_heads_upsample = num_heads_upsample
+
+        time_embed_dim = model_channels * 4
+        self.time_embed = nn.Sequential(
+            linear(model_channels, time_embed_dim),
+            nn.SiLU(),
+            linear(time_embed_dim, time_embed_dim),
+        )
+
+        ch = int(channel_mult[0] * model_channels)
+        self.input_blocks = nn.ModuleList(
+            [TimestepEmbedSequential(conv_nd(dims, in_channels, ch, 3, padding=1))]
+        )
+        self._feature_size = ch
+        input_block_chans = [ch]
+        ds = 1
+        for level, mult in enumerate(channel_mult):
+            for _ in range(num_res_blocks):
+                layers = [
+                    ResBlock(
+                        ch,
+                        time_embed_dim,
+                        dropout,
+                        out_channels=int(mult * model_channels),
+                        dims=dims,
+                        use_checkpoint=use_checkpoint,
+                        use_scale_shift_norm=use_scale_shift_norm,
+                    )
+                ]
+                ch = int(mult * model_channels)
+                if ds in attention_resolutions:
+                    layers.append(
+                        AttentionBlock(
+                            ch,
+                            use_checkpoint=use_checkpoint,
+                            num_heads=num_heads,
+                            num_head_channels=num_head_channels,
+                            use_new_attention_order=use_new_attention_order,
+                        )
+                    )
+                self.input_blocks.append(TimestepEmbedSequential(*layers))
+                self._feature_size += ch
+                input_block_chans.append(ch)
+            if level != len(channel_mult) - 1:
+                out_ch = ch
+                self.input_blocks.append(
+                    TimestepEmbedSequential(
+                        ResBlock(
+                            ch,
+                            time_embed_dim,
+                            dropout,
+                            out_channels=out_ch,
+                            dims=dims,
+                            use_checkpoint=use_checkpoint,
+                            use_scale_shift_norm=use_scale_shift_norm,
+                            down=True,
+                        )
+                        if resblock_updown
+                        else Downsample(
+                            ch, conv_resample, dims=dims, out_channels=out_ch
+                        )
+                    )
+                )
+                ch = out_ch
+                input_block_chans.append(ch)
+                ds *= 2
+                self._feature_size += ch
+
+        self.middle_block = TimestepEmbedSequential(
+            ResBlock(
+                ch,
+                time_embed_dim,
+                dropout,
+                dims=dims,
+                use_checkpoint=use_checkpoint,
+                use_scale_shift_norm=use_scale_shift_norm,
+            ),
+            AttentionBlock(
+                ch,
+                use_checkpoint=use_checkpoint,
+                num_heads=num_heads,
+                num_head_channels=num_head_channels,
+                use_new_attention_order=use_new_attention_order,
+            ),
+            ResBlock(
+                ch,
+                time_embed_dim,
+                dropout,
+                dims=dims,
+                use_checkpoint=use_checkpoint,
+                use_scale_shift_norm=use_scale_shift_norm,
+            ),
+        )
+        self._feature_size += ch
+        self.pool = pool
+        if pool == "adaptive":
+            self.out = nn.Sequential(
+                normalization(ch),
+                nn.SiLU(),
+                nn.AdaptiveAvgPool2d((1, 1)),
+                zero_module(conv_nd(dims, ch, out_channels, 1)),
+                nn.Flatten(),
+            )
+        elif pool == "attention":
+            assert num_head_channels != -1
+            self.out = nn.Sequential(
+                normalization(ch),
+                nn.SiLU(),
+                AttentionPool2d(
+                    (image_size // ds), ch, num_head_channels, out_channels
+                ),
+            )
+        elif pool == "spatial":
+            self.out = nn.Sequential(
+                nn.Linear(self._feature_size, 2048),
+                nn.ReLU(),
+                nn.Linear(2048, self.out_channels),
+            )
+        elif pool == "spatial_v2":
+            self.out = nn.Sequential(
+                nn.Linear(self._feature_size, 2048),
+                normalization(2048),
+                nn.SiLU(),
+                nn.Linear(2048, self.out_channels),
+            )
+        else:
+            raise NotImplementedError(f"Unexpected {pool} pooling")
+
+    def convert_to_fp16(self):
+        """
+        Convert the torso of the model to float16.
+        """
+        self.input_blocks.apply(convert_module_to_f16)
+        self.middle_block.apply(convert_module_to_f16)
+
+    def convert_to_fp32(self):
+        """
+        Convert the torso of the model to float32.
+        """
+        self.input_blocks.apply(convert_module_to_f32)
+        self.middle_block.apply(convert_module_to_f32)
+
+    def forward(self, x, timesteps):
+        """
+        Apply the model to an input batch.
+
+        :param x: an [N x C x ...] Tensor of inputs.
+        :param timesteps: a 1-D batch of timesteps.
+        :return: an [N x K] Tensor of outputs.
+        """
+        emb = self.time_embed(timestep_embedding(timesteps, self.model_channels))
+
+        results = []
+        h = x.type(self.dtype)
+        for module in self.input_blocks:
+            h = module(h, emb)
+            if self.pool.startswith("spatial"):
+                results.append(h.type(x.dtype).mean(dim=(2, 3)))
+        h = self.middle_block(h, emb)
+        if self.pool.startswith("spatial"):
+            results.append(h.type(x.dtype).mean(dim=(2, 3)))
+            h = th.cat(results, axis=-1)
+            return self.out(h)
+        else:
+            h = h.type(x.dtype)
+            return self.out(h)
+
+
+class NLayerDiscriminator(nn.Module):
+    def __init__(self, input_nc, ndf=64, n_layers=3, norm_layer=nn.BatchNorm2d, use_sigmoid=False):
+        super(NLayerDiscriminator, self).__init__()
+        if type(norm_layer) == functools.partial:
+            use_bias = norm_layer.func == nn.InstanceNorm2d
+        else:
+            use_bias = norm_layer == nn.InstanceNorm2d
+
+        kw = 4
+        padw = 1
+        sequence = [
+            nn.Conv2d(input_nc, ndf, kernel_size=kw, stride=2, padding=padw),
+            nn.LeakyReLU(0.2, True)
+        ]
+
+        nf_mult = 1
+        nf_mult_prev = 1
+        for n in range(1, n_layers):
+            nf_mult_prev = nf_mult
+            nf_mult = min(2**n, 8)
+            sequence += [
+                nn.Conv2d(ndf * nf_mult_prev, ndf * nf_mult,
+                          kernel_size=kw, stride=2, padding=padw, bias=use_bias),
+                norm_layer(ndf * nf_mult),
+                nn.LeakyReLU(0.2, True)
+            ]
+
+        nf_mult_prev = nf_mult
+        nf_mult = min(2**n_layers, 8)
+        sequence += [
+            nn.Conv2d(ndf * nf_mult_prev, ndf * nf_mult,
+                      kernel_size=kw, stride=2, padding=padw, bias=use_bias),
+            norm_layer(ndf * nf_mult),
+            nn.LeakyReLU(0.2, True)
+        ]
+
+        sequence += [nn.Conv2d(ndf * nf_mult, 1, kernel_size=kw, stride=2, padding=padw)] + [nn.Dropout(0.5)]
+        if use_sigmoid:
+            sequence += [nn.Sigmoid()]
+
+        self.model = nn.Sequential(*sequence)
+
+    def forward(self, input):
+        return self.model(input)
+
+
+class GANLoss(nn.Module):
+    """Define different GAN objectives.
+
+    The GANLoss class abstracts away the need to create the target label tensor
+    that has the same size as the input.
+    """
+
+    def __init__(self, gan_mode, target_real_label=1.0, target_fake_label=0.0):
+        """ Initialize the GANLoss class.
+
+        Parameters:
+            gan_mode (str) - - the type of GAN objective. It currently supports vanilla, lsgan, and wgangp.
+            target_real_label (bool) - - label for a real image
+            target_fake_label (bool) - - label of a fake image
+
+        Note: Do not use sigmoid as the last layer of Discriminator.
+        LSGAN needs no sigmoid. vanilla GANs will handle it with BCEWithLogitsLoss.
+        """
+        super(GANLoss, self).__init__()
+        self.register_buffer('real_label', th.tensor(target_real_label))
+        self.register_buffer('fake_label', th.tensor(target_fake_label))
+        self.gan_mode = gan_mode
+        if gan_mode == 'lsgan':
+            self.loss = nn.MSELoss()
+        elif gan_mode == 'vanilla':
+            self.loss = nn.BCEWithLogitsLoss()
+        elif gan_mode in ['wgangp']:
+            self.loss = None
+        else:
+            raise NotImplementedError('gan mode %s not implemented' % gan_mode)
+
+    def get_target_tensor(self, prediction, target_is_real):
+        """Create label tensors with the same size as the input.
+
+        Parameters:
+            prediction (tensor) - - tpyically the prediction from a discriminator
+            target_is_real (bool) - - if the ground truth label is for real images or fake images
+
+        Returns:
+            A label tensor filled with ground truth label, and with the size of the input
+        """
+
+        if target_is_real:
+            target_tensor = self.real_label
+        else:
+            target_tensor = self.fake_label
+        return target_tensor.expand_as(prediction)
+
+    def __call__(self, prediction, target_is_real):
+        """Calculate loss given Discriminator's output and grount truth labels.
+
+        Parameters:
+            prediction (tensor) - - tpyically the prediction output from a discriminator
+            target_is_real (bool) - - if the ground truth label is for real images or fake images
+
+        Returns:
+            the calculated loss.
+        """
+        if self.gan_mode in ['lsgan', 'vanilla']:
+            target_tensor = self.get_target_tensor(prediction, target_is_real)
+            loss = self.loss(prediction, target_tensor)
+        elif self.gan_mode == 'wgangp':
+            if target_is_real:
+                loss = -prediction.mean()
+            else:
+                loss = prediction.mean()
+        return loss
+
+
+def cal_gradient_penalty(netD, real_data, fake_data, device, type='mixed', constant=1.0, lambda_gp=10.0):
+    """Calculate the gradient penalty loss, used in WGAN-GP paper https://arxiv.org/abs/1704.00028
+
+    Arguments:
+        netD (network)              -- discriminator network
+        real_data (tensor array)    -- real images
+        fake_data (tensor array)    -- generated images from the generator
+        device (str)                -- GPU / CPU: from torch.device('cuda:{}'.format(self.gpu_ids[0])) if self.gpu_ids else torch.device('cpu')
+        type (str)                  -- if we mix real and fake data or not [real | fake | mixed].
+        constant (float)            -- the constant used in formula ( | |gradient||_2 - constant)^2
+        lambda_gp (float)           -- weight for this loss
+
+    Returns the gradient penalty loss
+    """
+    if lambda_gp > 0.0:
+        if type == 'real':   # either use real images, fake images, or a linear interpolation of two.
+            interpolatesv = real_data
+        elif type == 'fake':
+            interpolatesv = fake_data
+        elif type == 'mixed':
+            alpha = th.rand(real_data.shape[0], 1, device=device)
+            alpha = alpha.expand(real_data.shape[0], real_data.nelement() // real_data.shape[0]).contiguous().view(*real_data.shape)
+            interpolatesv = alpha * real_data + ((1 - alpha) * fake_data)
+        else:
+            raise NotImplementedError('{} not implemented'.format(type))
+        interpolatesv.requires_grad_(True)
+        disc_interpolates = netD(interpolatesv)
+        gradients = th.autograd.grad(outputs=disc_interpolates, inputs=interpolatesv,
+                                     grad_outputs=th.ones(disc_interpolates.size()).to(device),
+                                     create_graph=True, retain_graph=True, only_inputs=True)
+        gradients = gradients[0].view(real_data.size(0), -1)  # flat the data
+        gradient_penalty = (((gradients + 1e-16).norm(2, dim=1) - constant) ** 2).mean() * lambda_gp        # added eps
+        return gradient_penalty, gradients
+    else:
+        return 0.0, None

cdim/dps_model/fp16_util.py

@@ -0,0 +1,234 @@
+"""
+Helpers to train with 16-bit precision.
+"""
+
+import numpy as np
+import torch as th
+import torch.nn as nn
+from torch._utils import _flatten_dense_tensors, _unflatten_dense_tensors
+
+INITIAL_LOG_LOSS_SCALE = 20.0
+
+
+def convert_module_to_f16(l):
+    """
+    Convert primitive modules to float16.
+    """
+    if isinstance(l, (nn.Conv1d, nn.Conv2d, nn.Conv3d)):
+        l.weight.data = l.weight.data.half()
+        if l.bias is not None:
+            l.bias.data = l.bias.data.half()
+
+
+def convert_module_to_f32(l):
+    """
+    Convert primitive modules to float32, undoing convert_module_to_f16().
+    """
+    if isinstance(l, (nn.Conv1d, nn.Conv2d, nn.Conv3d)):
+        l.weight.data = l.weight.data.float()
+        if l.bias is not None:
+            l.bias.data = l.bias.data.float()
+
+
+def make_master_params(param_groups_and_shapes):
+    """
+    Copy model parameters into a (differently-shaped) list of full-precision
+    parameters.
+    """
+    master_params = []
+    for param_group, shape in param_groups_and_shapes:
+        master_param = nn.Parameter(
+            _flatten_dense_tensors(
+                [param.detach().float() for (_, param) in param_group]
+            ).view(shape)
+        )
+        master_param.requires_grad = True
+        master_params.append(master_param)
+    return master_params
+
+
+def model_grads_to_master_grads(param_groups_and_shapes, master_params):
+    """
+    Copy the gradients from the model parameters into the master parameters
+    from make_master_params().
+    """
+    for master_param, (param_group, shape) in zip(
+        master_params, param_groups_and_shapes
+    ):
+        master_param.grad = _flatten_dense_tensors(
+            [param_grad_or_zeros(param) for (_, param) in param_group]
+        ).view(shape)
+
+
+def master_params_to_model_params(param_groups_and_shapes, master_params):
+    """
+    Copy the master parameter data back into the model parameters.
+    """
+    # Without copying to a list, if a generator is passed, this will
+    # silently not copy any parameters.
+    for master_param, (param_group, _) in zip(master_params, param_groups_and_shapes):
+        for (_, param), unflat_master_param in zip(
+            param_group, unflatten_master_params(param_group, master_param.view(-1))
+        ):
+            param.detach().copy_(unflat_master_param)
+
+
+def unflatten_master_params(param_group, master_param):
+    return _unflatten_dense_tensors(master_param, [param for (_, param) in param_group])
+
+
+def get_param_groups_and_shapes(named_model_params):
+    named_model_params = list(named_model_params)
+    scalar_vector_named_params = (
+        [(n, p) for (n, p) in named_model_params if p.ndim <= 1],
+        (-1),
+    )
+    matrix_named_params = (
+        [(n, p) for (n, p) in named_model_params if p.ndim > 1],
+        (1, -1),
+    )
+    return [scalar_vector_named_params, matrix_named_params]
+
+
+def master_params_to_state_dict(
+    model, param_groups_and_shapes, master_params, use_fp16
+):
+    if use_fp16:
+        state_dict = model.state_dict()
+        for master_param, (param_group, _) in zip(
+            master_params, param_groups_and_shapes
+        ):
+            for (name, _), unflat_master_param in zip(
+                param_group, unflatten_master_params(param_group, master_param.view(-1))
+            ):
+                assert name in state_dict
+                state_dict[name] = unflat_master_param
+    else:
+        state_dict = model.state_dict()
+        for i, (name, _value) in enumerate(model.named_parameters()):
+            assert name in state_dict
+            state_dict[name] = master_params[i]
+    return state_dict
+
+
+def state_dict_to_master_params(model, state_dict, use_fp16):
+    if use_fp16:
+        named_model_params = [
+            (name, state_dict[name]) for name, _ in model.named_parameters()
+        ]
+        param_groups_and_shapes = get_param_groups_and_shapes(named_model_params)
+        master_params = make_master_params(param_groups_and_shapes)
+    else:
+        master_params = [state_dict[name] for name, _ in model.named_parameters()]
+    return master_params
+
+
+def zero_master_grads(master_params):
+    for param in master_params:
+        param.grad = None
+
+
+def zero_grad(model_params):
+    for param in model_params:
+        # Taken from https://pytorch.org/docs/stable/_modules/torch/optim/optimizer.html#Optimizer.add_param_group
+        if param.grad is not None:
+            param.grad.detach_()
+            param.grad.zero_()
+
+
+def param_grad_or_zeros(param):
+    if param.grad is not None:
+        return param.grad.data.detach()
+    else:
+        return th.zeros_like(param)
+
+
+class MixedPrecisionTrainer:
+    def __init__(
+        self,
+        *,
+        model,
+        use_fp16=False,
+        fp16_scale_growth=1e-3,
+        initial_lg_loss_scale=INITIAL_LOG_LOSS_SCALE,
+    ):
+        self.model = model
+        self.use_fp16 = use_fp16
+        self.fp16_scale_growth = fp16_scale_growth
+
+        self.model_params = list(self.model.parameters())
+        self.master_params = self.model_params
+        self.param_groups_and_shapes = None
+        self.lg_loss_scale = initial_lg_loss_scale
+
+        if self.use_fp16:
+            self.param_groups_and_shapes = get_param_groups_and_shapes(
+                self.model.named_parameters()
+            )
+            self.master_params = make_master_params(self.param_groups_and_shapes)
+            self.model.convert_to_fp16()
+
+    def zero_grad(self):
+        zero_grad(self.model_params)
+
+    def backward(self, loss: th.Tensor):
+        if self.use_fp16:
+            loss_scale = 2 ** self.lg_loss_scale
+            (loss * loss_scale).backward()
+        else:
+            loss.backward()
+
+    def optimize(self, opt: th.optim.Optimizer):
+        if self.use_fp16:
+            return self._optimize_fp16(opt)
+        else:
+            return self._optimize_normal(opt)
+
+    def _optimize_fp16(self, opt: th.optim.Optimizer):
+        logger.logkv_mean("lg_loss_scale", self.lg_loss_scale)
+        model_grads_to_master_grads(self.param_groups_and_shapes, self.master_params)
+        grad_norm, param_norm = self._compute_norms(grad_scale=2 ** self.lg_loss_scale)
+        if check_overflow(grad_norm):
+            self.lg_loss_scale -= 1
+            logger.log(f"Found NaN, decreased lg_loss_scale to {self.lg_loss_scale}")
+            zero_master_grads(self.master_params)
+            return False
+
+        logger.logkv_mean("grad_norm", grad_norm)
+        logger.logkv_mean("param_norm", param_norm)
+
+        self.master_params[0].grad.mul_(1.0 / (2 ** self.lg_loss_scale))
+        opt.step()
+        zero_master_grads(self.master_params)
+        master_params_to_model_params(self.param_groups_and_shapes, self.master_params)
+        self.lg_loss_scale += self.fp16_scale_growth
+        return True
+
+    def _optimize_normal(self, opt: th.optim.Optimizer):
+        grad_norm, param_norm = self._compute_norms()
+        logger.logkv_mean("grad_norm", grad_norm)
+        logger.logkv_mean("param_norm", param_norm)
+        opt.step()
+        return True
+
+    def _compute_norms(self, grad_scale=1.0):
+        grad_norm = 0.0
+        param_norm = 0.0
+        for p in self.master_params:
+            with th.no_grad():
+                param_norm += th.norm(p, p=2, dtype=th.float32).item() ** 2
+                if p.grad is not None:
+                    grad_norm += th.norm(p.grad, p=2, dtype=th.float32).item() ** 2
+        return np.sqrt(grad_norm) / grad_scale, np.sqrt(param_norm)
+
+    def master_params_to_state_dict(self, master_params):
+        return master_params_to_state_dict(
+            self.model, self.param_groups_and_shapes, master_params, self.use_fp16
+        )
+
+    def state_dict_to_master_params(self, state_dict):
+        return state_dict_to_master_params(self.model, state_dict, self.use_fp16)
+
+
+def check_overflow(value):
+    return (value == float("inf")) or (value == -float("inf")) or (value != value)

cdim/dps_model/nn.py

@@ -0,0 +1,170 @@
+"""
+Various utilities for neural networks.
+"""
+
+import math
+
+import torch as th
+import torch.nn as nn
+
+
+# PyTorch 1.7 has SiLU, but we support PyTorch 1.5.
+class SiLU(nn.Module):
+    def forward(self, x):
+        return x * th.sigmoid(x)
+
+
+class GroupNorm32(nn.GroupNorm):
+    def forward(self, x):
+        return super().forward(x.float()).type(x.dtype)
+
+
+def conv_nd(dims, *args, **kwargs):
+    """
+    Create a 1D, 2D, or 3D convolution module.
+    """
+    if dims == 1:
+        return nn.Conv1d(*args, **kwargs)
+    elif dims == 2:
+        return nn.Conv2d(*args, **kwargs)
+    elif dims == 3:
+        return nn.Conv3d(*args, **kwargs)
+    raise ValueError(f"unsupported dimensions: {dims}")
+
+
+def linear(*args, **kwargs):
+    """
+    Create a linear module.
+    """
+    return nn.Linear(*args, **kwargs)
+
+
+def avg_pool_nd(dims, *args, **kwargs):
+    """
+    Create a 1D, 2D, or 3D average pooling module.
+    """
+    if dims == 1:
+        return nn.AvgPool1d(*args, **kwargs)
+    elif dims == 2:
+        return nn.AvgPool2d(*args, **kwargs)
+    elif dims == 3:
+        return nn.AvgPool3d(*args, **kwargs)
+    raise ValueError(f"unsupported dimensions: {dims}")
+
+
+def update_ema(target_params, source_params, rate=0.99):
+    """
+    Update target parameters to be closer to those of source parameters using
+    an exponential moving average.
+
+    :param target_params: the target parameter sequence.
+    :param source_params: the source parameter sequence.
+    :param rate: the EMA rate (closer to 1 means slower).
+    """
+    for targ, src in zip(target_params, source_params):
+        targ.detach().mul_(rate).add_(src, alpha=1 - rate)
+
+
+def zero_module(module):
+    """
+    Zero out the parameters of a module and return it.
+    """
+    for p in module.parameters():
+        p.detach().zero_()
+    return module
+
+
+def scale_module(module, scale):
+    """
+    Scale the parameters of a module and return it.
+    """
+    for p in module.parameters():
+        p.detach().mul_(scale)
+    return module
+
+
+def mean_flat(tensor):
+    """
+    Take the mean over all non-batch dimensions.
+    """
+    return tensor.mean(dim=list(range(1, len(tensor.shape))))
+
+
+def normalization(channels):
+    """
+    Make a standard normalization layer.
+
+    :param channels: number of input channels.
+    :return: an nn.Module for normalization.
+    """
+    return GroupNorm32(32, channels)
+
+
+def timestep_embedding(timesteps, dim, max_period=10000):
+    """
+    Create sinusoidal timestep embeddings.
+
+    :param timesteps: a 1-D Tensor of N indices, one per batch element.
+                      These may be fractional.
+    :param dim: the dimension of the output.
+    :param max_period: controls the minimum frequency of the embeddings.
+    :return: an [N x dim] Tensor of positional embeddings.
+    """
+    half = dim // 2
+    freqs = th.exp(
+        -math.log(max_period) * th.arange(start=0, end=half, dtype=th.float32) / half
+    ).to(device=timesteps.device)
+    args = timesteps[:, None].float() * freqs[None]
+    embedding = th.cat([th.cos(args), th.sin(args)], dim=-1)
+    if dim % 2:
+        embedding = th.cat([embedding, th.zeros_like(embedding[:, :1])], dim=-1)
+    return embedding
+
+
+def checkpoint(func, inputs, params, flag):
+    """
+    Evaluate a function without caching intermediate activations, allowing for
+    reduced memory at the expense of extra compute in the backward pass.
+
+    :param func: the function to evaluate.
+    :param inputs: the argument sequence to pass to `func`.
+    :param params: a sequence of parameters `func` depends on but does not
+                   explicitly take as arguments.
+    :param flag: if False, disable gradient checkpointing.
+    """
+    if flag:
+        args = tuple(inputs) + tuple(params)
+        return CheckpointFunction.apply(func, len(inputs), *args)
+    else:
+        return func(*inputs)
+
+
+class CheckpointFunction(th.autograd.Function):
+    @staticmethod
+    def forward(ctx, run_function, length, *args):
+        ctx.run_function = run_function
+        ctx.input_tensors = list(args[:length])
+        ctx.input_params = list(args[length:])
+        with th.no_grad():
+            output_tensors = ctx.run_function(*ctx.input_tensors)
+        return output_tensors
+
+    @staticmethod
+    def backward(ctx, *output_grads):
+        ctx.input_tensors = [x.detach().requires_grad_(True) for x in ctx.input_tensors]
+        with th.enable_grad():
+            # Fixes a bug where the first op in run_function modifies the
+            # Tensor storage in place, which is not allowed for detach()'d
+            # Tensors.
+            shallow_copies = [x.view_as(x) for x in ctx.input_tensors]
+            output_tensors = ctx.run_function(*shallow_copies)
+        input_grads = th.autograd.grad(
+            output_tensors,
+            ctx.input_tensors + ctx.input_params,
+            output_grads,
+            allow_unused=True,
+        )
+        del ctx.input_tensors
+        del ctx.input_params
+        del output_tensors
+        return (None, None) + input_grads

cdim/image_utils.py

@@ -1,3 +1,6 @@
+from typing import List, Optional, Tuple, Union
+
+import torch
 from torchvision.transforms import ToPILImage
 
 def save_to_image(tensor, filename):
@@ -15,3 +18,51 @@ def save_to_image(tensor, filename):
 
     # Save the image
     img.save(filename)
+
+
+def randn_tensor(
+    shape: Union[Tuple, List],
+    generator: Optional[Union[List["torch.Generator"], "torch.Generator"]] = None,
+    device: Optional["torch.device"] = None,
+    dtype: Optional["torch.dtype"] = None,
+    layout: Optional["torch.layout"] = None,
+):
+    """A helper function to create random tensors on the desired `device` with the desired `dtype`. When
+    passing a list of generators, you can seed each batch size individually. If CPU generators are passed, the tensor
+    is always created on the CPU.
+    """
+    # device on which tensor is created defaults to device
+    rand_device = device
+    batch_size = shape[0]
+
+    layout = layout or torch.strided
+    device = device or torch.device("cpu")
+
+    if generator is not None:
+        gen_device_type = generator.device.type if not isinstance(generator, list) else generator[0].device.type
+        if gen_device_type != device.type and gen_device_type == "cpu":
+            rand_device = "cpu"
+            if device != "mps":
+                logger.info(
+                    f"The passed generator was created on 'cpu' even though a tensor on {device} was expected."
+                    f" Tensors will be created on 'cpu' and then moved to {device}. Note that one can probably"
+                    f" slighly speed up this function by passing a generator that was created on the {device} device."
+                )
+        elif gen_device_type != device.type and gen_device_type == "cuda":
+            raise ValueError(f"Cannot generate a {device} tensor from a generator of type {gen_device_type}.")
+
+    # make sure generator list of length 1 is treated like a non-list
+    if isinstance(generator, list) and len(generator) == 1:
+        generator = generator[0]
+
+    if isinstance(generator, list):
+        shape = (1,) + shape[1:]
+        latents = [
+            torch.randn(shape, generator=generator[i], device=rand_device, dtype=dtype, layout=layout)
+            for i in range(batch_size)
+        ]
+        latents = torch.cat(latents, dim=0).to(device)
+    else:
+        latents = torch.randn(shape, generator=generator, device=rand_device, dtype=dtype, layout=layout).to(device)
+
+    return latents

cdim/noise.py

@@ -33,18 +33,20 @@ class Noise(ABC):
 @register_noise(name='gaussian')
 class GaussianNoise(Noise):
     def __init__(self, sigma):
-        self.sigma = sigma
-    
-    def __call__(self, data):
         # Important! We scale sigma by 2 because the config assumes images are in [0, 1]
         # but actually this model uses images in [-1, 1]
-        return data + torch.randn_like(data, device=data.device) * self.sigma * 2
+        self.sigma = 2 * sigma
+        self.name = 'gaussian'
+    
+    def __call__(self, data):
+        return data + torch.randn_like(data, device=data.device) * self.sigma
 
 
 @register_noise(name='poisson')
 class PoissonNoise(Noise):
     def __init__(self, rate):
         self.rate = rate
+        self.name = 'poisson'
 
     def __call__(self, data):
         import numpy as np

cdim/operators/__init__.py

@@ -21,4 +21,5 @@ def get_operator(name: str, **kwargs):
 
 # Import everything to make sure they register
 from .random_box_masker import RandomBoxMasker
+from .random_pixel_masker import RandomPixelMasker
 from .identity_operator import IdentityOperator

cdim/operators/random_pixel_masker.py

@@ -0,0 +1,58 @@
+import torch
+
+from cdim.operators import register_operator
+
+@register_operator(name='random_inpainting')
+class RandomPixelMasker:
+    def __init__(self, height=256, width=256, channels=3, fraction=0.08, device='cpu'):
+        """
+        Initialize the ConsistentRandomPixelSelector.
+        
+        Args:
+        height (int): Height of the input tensors (default: 256)
+        width (int): Width of the input tensors (default: 256)
+        channels (int): Number of channels in the input tensors (default: 3)
+        fraction (float): Fraction of pixels to keep (default: 0.08 for 8%)
+        device (str): Device to create the mask on (default: 'cpu')
+        """
+        self.height = height
+        self.width = width
+        self.channels = channels
+        self.fraction = fraction
+        self.device = device
+        
+        # Create a binary mask for pixel selection
+        num_pixels = height * width
+        num_selected = int(num_pixels * fraction)
+        self.mask = torch.zeros((1, channels, height, width), device=device)
+        
+        # Randomly select pixel indices
+        selected_indices = torch.randperm(num_pixels)[:num_selected]
+        
+        # Convert indices to 2D coordinates
+        selected_y = selected_indices // width
+        selected_x = selected_indices % width
+        
+        # Set selected pixels in the mask to 1
+        self.mask[0, :, selected_y, selected_x] = 1
+    
+    def __call__(self, tensor):
+        """
+        Apply the consistent random pixel selection to the input tensor.
+        
+        Args:
+        tensor (torch.Tensor): Input tensor of shape (b, channels, height, width)
+        
+        Returns:
+        torch.Tensor: Tensor with the same shape as input, but with only selected pixels
+        """
+        b, c, h, w = tensor.shape
+        assert c == self.channels and h == self.height and w == self.width, \
+            f"Input tensor must be of shape (b, {self.channels}, {self.height}, {self.width})"
+        
+        # Move the mask to the same device as the input tensor if necessary
+        if tensor.device != self.mask.device:
+            self.mask = self.mask.to(tensor.device)
+        
+        # Apply the mask to the input tensor
+        return tensor * self.mask

inference.py

@@ -1,6 +1,7 @@
 import argparse
 import os
 import yaml
+import time
 
 from PIL import Image
 import numpy as np
@@ -9,7 +10,11 @@ import torch
 from cdim.noise import get_noise
 from cdim.operators import get_operator
 from cdim.image_utils import save_to_image
+from cdim.dps_model.dps_unet import create_model
+from cdim.diffusion.scheduling_ddim import DDIMScheduler
+from cdim.diffusion.diffusion_pipeline import run_diffusion
 
+torch.manual_seed(8)
 
 def load_image(path):
     """
@@ -40,17 +45,43 @@ def main(args):
     # Load the noise function
     noise_config = load_yaml(args.noise_config)
     noise_function = get_noise(**noise_config)
-    print(noise_function)    
 
     # Load the measurement function A
     operator_config = load_yaml(args.operator_config)
     operator_config["device"] = device
     operator = get_operator(**operator_config)
-    print(operator)
+
+    # Load the model
+    model_config = load_yaml(args.model_config)
+    model = create_model(**model_config)
+    model = model.to(device)
+    model.eval()
+
+    # All the models have the same scheduler.
+    # you can change this for different models
+    ddim_scheduler = DDIMScheduler(
+        num_train_timesteps=1000,
+        beta_start=0.0001,
+        beta_end=0.02,
+        beta_schedule="linear",
+        prediction_type="epsilon",
+        timestep_spacing="leading",
+        steps_offset=0,
+    )
 
     noisy_measurement = noise_function(operator(original_image))
     save_to_image(noisy_measurement, os.path.join(args.output_dir, "noisy_measurement.png"))
 
+    t0 = time.time()
+    output_image = run_diffusion(
+        model, ddim_scheduler,
+        noisy_measurement, operator, noise_function, device,
+        num_inference_steps=args.T,
+        K=args.K)
+    print(f"total time {time.time() - t0}")
+
+    save_to_image(output_image, os.path.join(args.output_dir, "output.png"))
+
 if __name__ == '__main__':
     parser = argparse.ArgumentParser()
     parser.add_argument("input_image", type=str)
@@ -59,6 +90,7 @@ if __name__ == '__main__':
     parser.add_argument("model", type=str)
     parser.add_argument("operator_config", type=str)
     parser.add_argument("noise_config", type=str)
+    parser.add_argument("model_config", type=str)
     parser.add_argument("--output-dir", default=".", type=str)
     parser.add_argument("--cuda", default=True, action=argparse.BooleanOptionalAction)
 

models/ffhq_model_config.yaml

@@ -0,0 +1,20 @@
+# Defaults for image training.
+
+image_size: 256
+num_channels: 128
+num_res_blocks: 1
+channel_mult: ""
+learn_sigma: True
+class_cond: False
+use_checkpoint: False
+attention_resolutions: 16
+num_heads: 4
+num_head_channels: 64
+num_heads_upsample: -1
+use_scale_shift_norm: True
+dropout: 0.0
+resblock_updown: True
+use_fp16: False
+use_new_attention_order: False
+
+model_path: models/ffhq_10m.pt

operator_configs/random_inpainting_config.yaml

@@ -0,0 +1,5 @@
+name: random_inpainting
+fraction: 0.08  # Fraction of pixels to keep
+height: 256
+width: 256
+channels: 3