Project 5 Part B: Diffusion Models

Implement and deploy diffusion models for image generation. The second part of a larger project.

Key Information

Assigned Thursday, April 17, 2025 (fork the starter code from Part A: GitHub Classroom, and Part B: GitHub Classroom)
Due Part A: Friday, April 25, 2025 (early due date): submit to your Part A GitHub repo and CMSX by 8:00 PM
Part B: Tuesday, May 6, 2025 (Extended): submit to your Part B GitHub repo and CMSX by 11:59 PM
Code Submission For each part, submit the following to your GitHub Classroom repository:
- Completed notebook file (.ipynb) with figures and results
- Python backup file (.py) with your final implementation
Also save your Colab notebook with figures and results as a PDF and upload it to the corresponding CMSX assignment for Part A and Part B.
Individual Project This project must be completed individually (no group work).


Detailed Instructions for Part B

Overview

In Part B, you will train your own diffusion model on the MNIST dataset. This part focuses on understanding the training process of diffusion models, implementing the network architecture, and analyzing how well your model learns to generate data.

All work should be completed in the provided Colab notebook, available from GitHub Classroom.

Submission Instructions

Please submit the following to your Part B GitHub Classroom repository:

  • The completed notebook file (.ipynb) with your figures, results, and explanations
  • A Python backup file (.py) with your final implementation

In addition, save your Colab notebook as a PDF and upload it to the CMSX assignment for Part B.

Tip: Start early! This part involves training a diffusion model, which may take time to run on Colab.

Part 1: Training a Single-Step Denoising UNet

Let's warmup by building a simple one-step denoiser. Given a noisy image z , we aim to train a denoiser D θ such that it maps z to a clean image x . To do so, we can optimize over an L2 loss: (B.1) L = E z , x D θ ( z ) x 2

1.1 Implementing the UNet

In this project, we implement the denoiser as a UNet. It consists of a few downsampling and upsampling blocks with skip connections.

UNet Architecture

Figure 1: Unconditional UNet

The diagram above uses a number of standard tensor operations defined as follows:

UNet Operations

Figure 2: Standard UNet Operations

where:
  • Conv2d(kernel_size, stride, padding) is nn.Conv2d()
  • BN is nn.BatchNorm2d()
  • GELU is nn.GELU()
  • ConvTranspose2d(kernel_size, stride, padding) is nn.ConvTranspose2d()
  • AvgPool(kernel_size) is nn.AvgPool2d()
  • D is the number of hidden channels and is a hyperparameter that we will set ourselves.
At a high level, the blocks do the following:
  • (1) Conv is a convolutional layer that doesn't change the image resolution, only the channel dimension.
  • (2) DownConv is a convolutional layer that downsamples the tensor by 2.
  • (3) UpConv is a convolutional layer that upsamples the tensor by 2.
  • (4) Flatten is an average pooling layer that flattens a 7x7 tensor into a 1x1 tensor. 7 is the resulting height and width after the downsampling operations.
  • (5) Unflatten is a convolutional layer that unflattens/upsamples a 1x1 tensor into a 7x7 tensor.
  • (6) Concat is a channel-wise concatenation between tensors with the same 2D shape. This is simply torch.cat().

We define composed operations using our simple operations in order to make our network deeper. This doesn't change the tensor's height, width, or number of channels, but simply adds more learnable parameters.

  • (7) ConvBlock, is similar to Conv but includes an additional Conv. Note that it has the same input and output shape as (1) Conv.
  • (8) DownBlock, is similar to DownConv but includes an additional ConvBlock. Note that it has the same input and output shape as (2) DownConv.
  • (9) UpBlock, is similar to UpConv but includes an additional ConvBlock. Note that it has the same input and output shape as (3) UpConv.

1.2 Using the UNet to Train a Denoiser

Recall from equation 1 that we aim to solve the following denoising problem: Given a noisy image z , we aim to train a denoiser D θ such that it maps z to a clean image x . To do so, we can optimize over an L2 loss L = E z , x D θ ( z ) x 2 . To train our denoiser, we need to generate training data pairs of ( z , x ), where each x is a clean MNIST digit. For each training batch, we can generate z from x using the the following noising process: (B.2) z = x + σ ϵ , where  ϵ N ( 0 , I ) . Visualize the different noising processes over σ = [ 0.0 , 0.2 , 0.4 , 0.5 , 0.6 , 0.8 , 1.0 ] , assuming normalized x [ 0 , 1 ] . It should be similar to the following plot:
Varying Sigmas

Figure 3: Varying levels of noise on MNIST digits

1.2.1 Training

Now, we will train the model to perform denoising.

  • Objective: Train a denoiser to denoise noisy image z with σ = 0.5 applied to a clean image x .
  • Dataset and dataloader: Use the MNIST dataset via torchvision.datasets.MNIST with flags to access training and test sets. Train only on the training set. Shuffle the dataset before creating the dataloader. Recommended batch size: 256. We'll train over our dataset for 5 epochs.
    • You should only noise the image batches when fetched from the dataloader so that in every epoch the network will see new noised images, improving generalization.
  • Model: Use the UNet architecture defined in section 1.1 with recommended hidden dimension D = 128.
  • Optimizer: Use Adam optimizer with learning rate of 1e-4.
Training Loss Curve

Figure 4: Training Loss Curve

You should visualize denoised results on the test set at the end of training. Display sample results after the 1st and 5th epoch.

They should look something like these:

After the first epoch

Figure 5: Results on digits from the test set after 1 epoch of training

After the 5-th epoch

Figure 6: Results on digits from the test set after 5 epochs of training

1.2.2 Out-of-Distribution Testing

Our denoiser was trained on MNIST digits noised with σ = 0.5 . Let's see how the denoiser performs on different σ 's that it wasn't trained for.

Visualize the denoiser results on test set digits with varying levels of noise σ = [ 0.0 , 0.2 , 0.4 , 0.5 , 0.6 , 0.8 , 1.0 ] .

Varying Sigmas

Figure 7: Results on digits from the test set with varying noise levels.

Deliverables

  • A visualization of the noising process using σ = [ 0.0 , 0.2 , 0.4 , 0.5 , 0.6 , 0.8 , 1.0 ] . (figure 3)
  • A training loss curve plot every few iterations during the whole training process (figure 4).
  • Sample results on the test set after the first and the 5-th epoch (staff solution takes ~7 minutes for 5 epochs on a Colab T4 GPU). (figure 5, 6)
  • Sample results on the test set with out-of-distribution noise levels after the model is trained. Keep the same image and vary σ = [ 0.0 , 0.2 , 0.4 , 0.5 , 0.6 , 0.8 , 1.0 ] . (figure 7)
Hint
  • Since training can take a while, we strongly recommend that you checkpoint your model every epoch onto your personal Google Drive. This is because Colab notebooks aren't persistent such that if you are idle for a while, you will lose connection and your training progress. This consists of:
    • Google Drive mounting.
    • Epoch-wise model & optimizer checkpointing.
    • Model & optimizer resuming from checkpoints.

Part 2: Training a Diffusion Model

Now, we are ready for diffusion, where we will train a UNet model that can iteratively denoise an image. We will implement DDPM in this part.

Let's revisit the problem we solved in equation B.1:

L = E z , x D θ ( z ) x 2 .

We will first introduce one small difference: we can change our UNet to predict the added noise ϵ instead of the clean image x (like in part A of the project). Mathematically, these are equivalent since x = z σ ϵ (equation B.2). Therefore, we can turn equation B.1 into the following:

(B.3) L = E ϵ , z ϵ θ ( z ) ϵ 2

where ϵ θ is a UNet trained to predict noise.

For diffusion, we eventually want to sample a pure noise image ϵ N ( 0 , I ) and generate a realistic image x from the noise. However, we saw in part A that one-step denoising does not yield good results. Instead, we need to iteratively denoise the image for better results.

Recall in part A that we used equation A.2 to generate noisy images x t from x 0 for some timestep t for t { 0 , 1 , , T } : x t = α ¯ t x 0 + 1 α ¯ t ϵ where   ϵ N ( 0 , 1 ) . Intuitively, when t = 0 we want x t to be the clean image x 0 , when t = T we want x t to be pure noise ϵ , and for t { 1 , , T 1 } , x t should be some linear combination of the two. The precise derivation of α ¯ is beyond the scope of this project (see DDPM paper for more details). Here, we provide you with the DDPM recipe to build a list α ¯ for t { 0 , 1 , , T } utilizing lists α and β :

  • Create a list β of length T such that β 0 = 0.0001 and β T = 0.02 and all other elements β t for t { 1 , , T 1 } are evenly spaced between the two.
  • α t = 1 β t
  • α ¯ t = s = 1 t α s is a cumulative product of α s for s { 1 , , t } .
Because we are working with simple MNIST digits, we can afford to have a smaller T of 300 instead of the 1000 used in part A. Observe how α ¯ t is close to 1 for small t and close to 0 for T . β is known as the variance schedule; it controls the amount of noise added at each timestep.

Now, to denoise image x t , we could simply apply our UNet ϵ θ on x t and get the noise ϵ . However, this won't work very well because the UNet is expecting the noisy image to have a noise variance σ = 0.5 for best results, but the variance of x t varies with t . One could train T separate UNets, but it is much easier to simply condition a single UNet with timestep t , giving us our final objective: (B.4) L = E ϵ , x 0 , t ϵ θ ( x t , t ) ϵ 2 .

2.1 Adding Time Conditioning to UNet

We need a way to inject scalar t into our UNet model to condition it. There are many ways to do this. Here is what we suggest:
UNet Highlighted

Figure 8: Conditioned UNet

This uses a new operator called FCBlock (fully-connected block) which we use to inject the conditioning signal into the UNet:

FCBlock

Figure 9: FCBlock for conditioning

Here Linear(F_in, F_out) is a linear layer with F_in input features and F_out output features. You can implement it using nn.Linear.

Since our conditioning signal t is a scalar, F_in should be of size 1. We also recommend that you normalize t to be in the range [0, 1] before embedding it, i.e. pass in t T .

You can embed t by following this pseudo code:


fc1_t = FCBlock(...)
fc2_t = FCBlock(...)

# the t passed in here should be normalized to be in the range [0, 1]
t1 = fc1_t(t)
t2 = fc2_t(t)

# Follow diagram to get unflatten.
# Replace the original unflatten with modulated unflatten.
unflatten = unflatten + t1
# Follow diagram to get up1.
...
# Replace the original up1 with modulated up1.
up1 = up1 + t2
# Follow diagram to get the output.
...
    

2.2 Training the UNet

Training our time-conditioned UNet ϵ θ ( x t , t ) is now pretty easy. Basically, we pick a random image from the training set, a random t , and train the denoiser to predict the noise in x t We repeat this for different images and different t values until the model converges and we are happy.

Algorithm Diagram

Algorithm B.1. Training time-conditioned UNet

  • Objective: Train a time-conditioned UNet ϵ θ ( x t , t ) to predict the noise in x t given a noisy image x t and a timestep t .
  • Dataset and dataloader: Use the MNIST dataset via torchvision.datasets.MNIST with flags to access training and test sets. Train only on the training set. Shuffle the dataset before creating the dataloader. Recommended batch size: 128. We'll train over our dataset for 20 epochs since this task is more difficult than part A.
    • As shown in algorithm B.1, You should only noise the image batches when fetched from the dataloader.
  • Model: Use the time-conditioned UNet architecture defined in section 2.1 with recommended hidden dimension D = 64. Follow the diagram and pseudocode for how to inject the conditioning signal t into the UNet. Remember to normalize t before embedding it.
  • Optimizer: Use Adam optimizer with an initial learning rate of 1e-3. We will be using an exponential learning rate decay scheduler with a gamma of 0.1 ( 1.0 / num_epochs ) . This can be implemented using scheduler = torch.optim.lr_scheduler.ExponentialLR(...). You should call scheduler.step() after every epoch.
Loss Curve

Figure 10: Time-Conditioned UNet training loss curve

2.3 Sampling from the UNet

The sampling process is very similar to part A, except we don't need to predict the variance like in the DeepFloyd model. Instead, we can use our list β .

Algorithm Diagram

Algorithm B.2. Sampling from time-conditioned UNet

Epoch 1

Epoch 5

Epoch 10

Epoch 15

Epoch 20

Deliverables

  • A training loss curve plot for the time-conditioned UNet over the whole training process (figure 10).
  • Sampling results for the time-conditioned UNet for 5 and 20 epochs.
    • Note: providing a gif is optional.

2.4 Adding Class-Conditioning to UNet

To make the results better and give us more control for image generation, we can also optionally condition our UNet on the class of the digit 0-9. This will require adding 2 more FCBlocks to our UNet but, we suggest that for class-conditioning vector c , you make it a one-hot vector instead of a single scalar. Because we still want our UNet to work without it being conditioned on the class, we implement dropout where 10% of the time ( p uncond = 0.1 ) we drop the class conditioning vector c by setting it to 0. Here is one way to condition our UNet ϵ θ ( x t , t , c ) on both time t and class c :

fc1_t = FCBlock(...)
fc1_c = FCBlock(...)
fc2_t = FCBlock(...)
fc2_c = FCBlock(...)

t1 = fc1_t(t)
c1 = fc1_c(c)
t2 = fc2_t(t)
c2 = fc2_c(c)

# Follow diagram to get unflatten.
# Replace the original unflatten with modulated unflatten.
unflatten = c1 * unflatten + t1
# Follow diagram to get up1.
...
# Replace the original up1 with modulated up1.
up1 = c2 * up1 + t1
# Follow diagram to get the output.
...



        
Training for this section will be the same as time-only, with the only difference being the conditioning vector c and doing unconditional generation periodically.
Algorithm Diagram

Algorithm B.3. Training class-conditioned UNet

Training Loss Curve

Figure 11: Class-conditioned UNet training loss curve

2.5 Sampling from the Class-Conditioned UNet

The sampling process is the same as part A, where we saw that conditional results aren't good unless we use classifier-free guidance. Use classifier-free guidance with γ = 5.0 for this part.
Algorithm Diagram

Algorithm B.4. Sampling from class-conditioned UNet

Epoch 1

Epoch 5

Epoch 10

Epoch 15

Epoch 20

Deliverables

  • A training loss curve plot for the class-conditioned UNet over the whole training process.
  • Sampling results for the class-conditioned UNet for 5 and 20 epochs. Generate 4 instances of each digit as shown above.
    • Note: providing a gif is optional.

Extra Credit

  • Improve the UNet Architecture for time-conditional generation
    For ease of explanation and implementation, our UNet architecture above is pretty simple. Modify the UNet (e.g. with skip connections) such that it can fit better during training and sample even better results.
  • Implement Rectified Flow
    • Implement rectified flow, which is the state of art diffusion model.
    • You can reference any code on github, but your implementation needs to follow the same code structure as our DDPM implementation.
    • In other words, the code change required should be minimal: only changing the forward and sample functions.

Acknowledgements

This project was a joint effort by Daniel Geng, Ryan Tabrizi, and Hang Gao, advised by Liyue Shen, Andrew Owens, and Alexei Efros.

Last updated 16 April 2025