Add conditional ddpm; Add comment.

abstract_ddpm/convert.py

-
-import numpy as np
-'''
-sin_train = np.load('./data/3d_sin_5_5_train.npy')
-sin_test = np.load('./data/3d_sin_5_5_test.npy')
-helix_train = np.load('./data/helix_3D_train.npy')
-helix_test = np.load('./data/helix_3D_test.npy')
-sin_bounds = np.load('./data/3d_sin_5_5_bounds.npy')
-helix_bounds = np.load('./data/helix_3D_bounds.npy')
-
-merged_train = np.concatenate((sin_train, helix_train), axis=0)
-merged_test = np.concatenate((sin_test, helix_test), axis=0)
-merged_bounds = np.concatenate((sin_bounds, helix_bounds), axis=0)
-
-np.save('./data/3d_sin_helix_train.npy', merged_train)
-np.save('./data/3d_sin_helix_test.npy', merged_test)
-np.save('./data/3d_sin_helix_bounds.npy', merged_bounds)
-'''
-from generate import *
-
-train_data = get_cylinder_helix('train')
-print(train_data.shape)
-test_data = get_cylinder_helix('test')
-print(test_data.shape)
-
-np.save('./data/3d_cylinder_helix_train.npy',train_data)
-np.save('./data/3d_cylinder_helix_test.npy',test_data)
-
-helix_3d_train = np.load('./data/helix_3D_train.npy')
-helix_3d_test = np.load('./data/helix_3D_test.npy')
-
-helix_3d_train[:,2] += 2
-helix_3d_test[:,2] += 2
-
-np.save('./data/shifted_helix_3D_train.npy',helix_3d_train)
-np.save('./data/shifted_helix_3D_test.npy',helix_3d_test)
\ No newline at end of file

abstract_ddpm/finetune.py

@@ -3,6 +3,9 @@ import torch
 import pytorch_lightning as pl
 from finetune_model import FineTuneLitDiffusionModel
 from dataset import ThreeDSinDataset
+"""
+Python file to perform the finetuning on the diffusion model.
+"""
 
 parser = argparse.ArgumentParser()
 

abstract_ddpm/finetune_model.py

@@ -18,6 +18,9 @@ def expand_alphas(batch, alpha, t):
 
 
 class FineTuneLitDiffusionModel(pl.LightningModule):
+    """
+    Class for finuetuning the diffusion model. 
+    """
     def __init__(self, n_dim=3, n_steps=200, lbeta=1e-5, ubeta=1e-2, scheduler_type="linear",model_chkpt=None,model_hparams=None):
         super().__init__()
         """
@@ -162,59 +165,11 @@ class FineTuneLitDiffusionModel(pl.LightningModule):
             frozen_unconditioning_score = self.frozen_model(x,t)
             frozen_nc_score = self.frozen_model(nc,t)
         
-        #guidance = frozen_unconditioning_score - eta*(frozen_conditioning_score-frozen_unconditioning_score)
-        #a = frozen_conditioning_score
-        #b = frozen_unconditioning_score
-        #guidance = 
-        #guidance = frozen_unconditioning_score + frozen_inv_conditioning_score
-        #temp = frozen_unconditioning_score - frozen_conditioning_score
-        #guidance = frozen_unconditioning_score + frozen_conditioning_score
-        #temp = ((eta)*(frozen_empty_score - frozen_unconditioning_score) - (eta-1.0)*(frozen_conditioning_score-frozen_unconditioning_score))/(eta-1.0)
-        # temp = frozen_unconditioning_score - temp
-        #guidance = frozen_unconditioning_score - frozen_empty_score + frozen_unconditioning_score + (eta-1.0)*(frozen_conditioning_score-frozen_unconditioning_score)
-        #guidance = (eta-1.0)*frozen_conditioning_score - (3.0-eta)*(frozen_unconditioning_score) - frozen_empty_score
-        #guidance = frozen_unconditioning_score - (eta)*(frozen_conditioning_score-frozen_unconditioning_score)
-        #temp = (eta/2.0)*((frozen_empty_score - frozen_unconditioning_score) - (eta-1.0)*(frozen_conditioning_score-frozen_unconditioning_score))
-        #guidance = frozen_unconditioning_score - temp
-        #a = frozen_conditioning_score
-        #b = frozen_unconditioning_score
         temp = frozen_unconditioning_score - frozen_nc_score
         guidance = (frozen_unconditioning_score + (eta)*(temp))/(eta)
         a = output
         b = guidance - output
 
-        # a = frozen_empty_score - frozen_unconditioning_score
-        # b = frozen_empty_score - frozen_conditioning_score
-        # temp = a-b
-        #guidance = frozen_unconditioning_score - temp
-        #guidance = frozen_unconditioning_score - b
-        # fig = plt.figure()
-        # fig.add_subplot(141,projection='3d')
-        # ax = fig.add_subplot(141, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), a[:,2].detach().numpy(), c=batch_x[:,2], marker='o')
-        # ax2 = fig.add_subplot(142, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), b[:,2].detach().numpy(), c=batch_x[:,2], marker='o')
-        # ax3 = fig.add_subplot(143, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), temp[:,2].cpu().numpy(), c=batch_x[:,2], marker='o')
-        # ax4 = fig.add_subplot(144, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), c=batch_x[:,2], marker='o')
-        # plt.show()
-        # fig = plt.figure()
-        # fig.add_subplot(121,projection='3d')
-        # ax = fig.add_subplot(121,projection='3d').scatter(batch_x[:,0].detach().numpy(), batch_x[:,1].detach().numpy(), output[:,2].detach().numpy(), c=batch_x[:,2].detach().numpy(), marker='o')
-        # ax2 = fig.add_subplot(122,projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), c=batch_x[:,2].cpu().numpy(), marker='o')
-        # plt.show()
-        # plt.clf()
-        # guidance = frozen_empty_score + (eta-1.0)*(frozen_conditioning_score - frozen_unconditioning_score)
-        # fig = plt.figure()
-        # fig.add_subplot(121,projection='3d')
-        # ax = fig.add_subplot(121,projection='3d').scatter(batch_x[:,0].detach().numpy(), batch_x[:,1].detach().numpy(), output[:,2].detach().numpy(), c=batch_x[:,2].detach().numpy(), marker='o')
-        # ax2 = fig.add_subplot(122,projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), c=batch_x[:,2].cpu().numpy(), marker='o')
-        # plt.show()
-        # plt.clf()
-
-        # fig = plt.figure()
-        # fig.add_subplot(121,projection='3d')
-        # ax = fig.add_subplot(121,projection='3d').scatter(batch_x[:,0].detach().numpy(), batch_x[:,1].detach().numpy(), x[:,2].detach().numpy(), c=batch_x[:,2].detach().numpy(), marker='o')
-        # ax2 = fig.add_subplot(122,projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), c[:,2].cpu().numpy(), c=batch_conditioning[:,2].cpu().numpy(), marker='o')
-        # plt.show()
-        # plt.clf()
         criteria = torch.nn.MSELoss()
         return criteria(output, guidance)
 

abstract_ddpm/generate.py

@@ -2,7 +2,9 @@ import numpy as np
 import torch
 import matplotlib.pyplot as plt
 from matplotlib import cm
-
+"""
+Contains various methods on generating distributions.
+"""
 def gaussian(x, mu, sig):
     return np.exp(-np.power(x - mu, 2.) / (2 * np.power(sig, 2.)))
 

conditional_ddpm/dataset.py

+import numpy as np
+from torch.utils.data import Dataset
+
+class DistDataset(Dataset):
+    def __init__(self, npy_path, mean=None, std=None):
+        super().__init__()
+        if type(npy_path) == str:
+            self.data = np.load(npy_path)
+        else:
+            self.data1 = np.load(npy_path[0])
+            self.data2 = np.load(npy_path[1])
+            self.data = np.concatenate((self.data1, self.data2), axis=1)
+            print('Data shape',self.data.shape)
+        if mean is None:
+            mean = np.mean(self.data, axis=0)
+        if std is None:
+            std = np.std(self.data, axis=0)
+        #self.data = (self.data - mean) / std
+
+    def __len__(self):
+        return self.data.shape[0]
+
+    def __getitem__(self, index):
+        return self.data[index][0:4]

conditional_ddpm/ddpm.py

+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+import pytorch_lightning as pl
+import matplotlib.pyplot as plt
+import numpy as np
+
+def expand_alphas(batch, alpha, t):
+    """
+    If t is not a tensor object than expand alpha[t] to shape of batch
+    else get alpha[t] in the shape of x
+    """
+    if isinstance(t, int):
+        return alpha[t].expand(batch.size(0),1)
+    else:
+        return torch.zeros((batch.size(0),1)) + alpha[t][:,None]
+
+
+class DDPM(pl.LightningModule):
+    def __init__(self, n_dim=3, n_steps=200, lbeta=1e-5, ubeta=1e-2, scheduler_type="linear"):
+        super().__init__()
+        """
+        If you include more hyperparams (e.g. `n_layers`), be sure to add that to `argparse` from `train.py`.
+        Also, manually make sure that this new hyperparameter is being saved in `hparams.yaml`.
+        """
+        self.save_hyperparameters()
+
+        """
+        Your model implementation starts here. We have separate learnable modules for `time_embed` and `model`.
+        You may choose a different architecture altogether. Feel free to explore what works best for you.
+        If your architecture is just a sequence of `torch.nn.XXX` layers, using `torch.nn.Sequential` will be easier.
+        
+        `time_embed` can be learned or a fixed function based on the insights you get from visualizing the data.
+        If your `model` is different for different datasets, you can use a hyperparameter to switch between them.
+        Make sure that your hyperparameter behaves as expecte and is being saved correctly in `hparams.yaml`.
+        """
+
+        embedding_dim = 8
+        num_classes = 2
+        self.guidance_scale = 1
+        # nn.Embedding is used to embed time in a latend dimention that can be passed to the model 
+        self.time_embed = nn.Embedding(n_steps,embedding_dim)
+        self.label_embed = nn.Embedding(num_classes, embedding_dim)
+        # The model is a sequential model consisting of linear layers with ReLU as activation function
+        self.model = nn.Sequential(
+                    nn.Linear(embedding_dim + 3, 64),
+                    nn.ReLU(),
+                    nn.Linear(64, 128),
+                    nn.ReLU(),
+                    nn.Linear(128, 256),
+                    nn.ReLU(),
+                    nn.Linear(256, 128),
+                    nn.ReLU(),
+                    nn.Linear(128,64),
+                    nn.ReLU(),
+                    nn.Linear(64,3)
+                    )
+        
+        """
+        Be sure to save at least these 2 parameters in the model instance.
+        """
+        self.n_steps = n_steps
+        self.n_dim = n_dim
+        
+        # New hyperparameter
+        
+        # Scheduler type (liner/sigmoid/cosine) is stored
+        self.scheduler_type=scheduler_type           
+
+        """
+        Sets up variables for noise schedule
+        """
+        self.init_alpha_beta_schedule(lbeta, ubeta)
+
+    def forward(self, x, t, label=None):
+        """
+        Similar to `forward` function in `nn.Module`. 
+        Notice here that `x` and `t` are passed separately. If you are using an architecture that combines
+        `x` and `t` in a different way, modify this function appropriately.
+        """
+        if not isinstance(t, torch.Tensor):
+            t = torch.LongTensor([t]).expand(x.size(0))
+        t_embed = self.time_embed(t)
+        
+        noise_prediction_uncond = self.model(torch.cat((x, t_embed), dim=1).float())
+        if label != None:
+            label = label.to(torch.int)
+            noise_prediction_text = self.model(torch.cat((x, t_embed+self.label_embed(label)), dim=1).float())
+        else:
+            noise_prediction_text = self.model(torch.cat((x, t_embed), dim=1).float())
+        noise_prediction = noise_prediction_uncond + self.guidance_scale * (noise_prediction_text - noise_prediction_uncond)
+        return noise_prediction
+
+    
+    def init_alpha_beta_schedule(self, lbeta, ubeta):
+        """
+        Set up your noise schedule. You can perhaps have an additional hyperparameter that allows you to
+        switch between various schedules for answering q4 in depth. Make sure that this hyperparameter 
+        is included correctly while saving and loading your checkpoints.
+        """
+
+        if self.scheduler_type=="linear":
+            self.beta = torch.linspace(lbeta,ubeta,self.n_steps)
+        elif self.scheduler_type == "sigmoid":
+            self.beta = torch.linspace(-6, 6, self.n_steps)
+            self.beta = torch.sigmoid(self.beta) * (ubeta - lbeta) + lbeta
+        elif self.scheduler_type == "cosine":
+            self.beta = torch.linspace(0, 1, self.n_steps)
+            self.beta = (torch.cos((self.beta)*np.pi/2)+0.002)/1.002 * (ubeta - lbeta) + lbeta
+
+        #Store different type of alpha and beta for speedup calculation
+        self.alpha = 1-self.beta
+        self.alpha_cum = torch.sqrt(torch.cumprod(1 - self.beta, 0))
+        self.alpha_cum_sqrt = torch.sqrt(self.alpha_cum)
+        self.one_min_alphas_sum_sqrt = torch.sqrt(1-self.alpha_cum)
+
+    def q_sample(self, x, t):
+        """
+        Sample from q given x_t.
+        """
+        alpha = expand_alphas(x,self.alpha_cum_sqrt, t)
+        one_minus_alpha = expand_alphas(x, 1-self.alpha_cum, t)
+        _q_sample = (alpha * x) + one_minus_alpha * torch.randn_like(x) 
+        return _q_sample
+
+    def p_sample(self, x, t, label):
+        """
+        Sample from p given x_t.
+        """
+        epsilon_factor = (expand_alphas(x, self.beta, t) / expand_alphas(x, self.one_min_alphas_sum_sqrt, t))
+        epsilon_theta = self.forward(x, t, label)
+        mean = (1 / expand_alphas(x, torch.sqrt(self.alpha), t)) * (x - (epsilon_factor * epsilon_theta))
+        sigma = expand_alphas(x, torch.sqrt(self.beta), t)
+        sample = mean + sigma * torch.randn_like(x)
+        return sample
+
+    def training_step(self, batch, batch_idx):
+        """
+        Implements one training step.
+        Given a batch of samples (n_samples, n_dim) from the distribution you must calculate the loss
+        for this batch. Simply return this loss from this function so that PyTorch Lightning will 
+        automatically do the backprop for you. 
+        Refer to the DDPM paper [1] for more details about equations that you need to implement for
+        calculating loss. Make sure that all the operations preserve gradients for proper backprop.
+        Refer to PyTorch Lightning documentation [2,3] for more details about how the automatic backprop 
+        will update the parameters based on the loss you return from this function.
+
+        References:
+        [1]: https://arxiv.org/abs/2006.11239
+        [2]: https://pytorch-lightning.readthedocs.io/en/stable/
+        [3]: https://www.pytorchlightning.ai/tutorials
+        """
+        label = batch[:, 3]
+        batch = batch[:, :3]
+        t = torch.randint(0, self.n_steps, size=(batch.shape[0],))
+        #print(t.shape)
+        alpha_sqrt = expand_alphas(batch, self.alpha_cum_sqrt, t)
+        #print(alpha_sqrt.shape)
+        one_min_alpha_sqrt = expand_alphas(batch, self.one_min_alphas_sum_sqrt, t)
+        #print(one_min_alpha_sqrt.shape)
+        noise = torch.randn_like(batch)
+        #print(noise.shape)
+        x = batch * alpha_sqrt + noise * one_min_alpha_sqrt
+        output = self.forward(x, t, label=label)
+        return (noise - output).square().mean() 
+
+    def sample(self, n_samples, label, return_intermediate=False):
+        """
+        Implements inference step for the DDPM.
+        `progress` is an optional flag to implement -- it should just show the current step in diffusion
+        reverse process.
+        If `return_intermediate` is `False`,
+            the function returns a `n_samples` sampled from the learned DDPM
+            i.e. a Tensor of size (n_samples, n_dim).
+            Return: (n_samples, n_dim)(final result from diffusion)
+        Else
+            the function returns all the intermediate steps in the diffusion process as well 
+            i.e. a Tensor of size (n_samples, n_dim) and a list of `self.n_steps` Tensors of size (n_samples, n_dim) each.
+            Return: (n_samples, n_dim)(final result), [(n_samples, n_dim)(intermediate) x n_steps]
+        """
+        if return_intermediate:
+            out_samples = []
+            out_samples.append(torch.randn((n_samples, self.n_dim)))
+            for t in range(self.n_steps-1, -1, -1):
+                out_samples.append(self.p_sample(out_samples[-1], t, label))
+            return out_samples[-1], out_samples
+        else:
+            out_sample = torch.randn((n_samples, self.n_dim))
+            for t in range(self.n_steps-1, -1, -1):
+                out_sample = self.p_sample(out_sample, t, label)
+            return out_sample
+
+    def configure_optimizers(self):
+        """
+        Sets up the optimizer to be used for backprop.
+        Must return a `torch.optim.XXX` instance.
+        You may choose to add certain hyperparameters of the optimizers to the `train.py` as well.
+        In our experiments, we chose one good value of optimizer hyperparameters for all experiments.
+        """
+        # We have experimented with both SGD and Adam optimiser
+        #return torch.optim.SGD(self.model.parameters(), lr=0.01)
+        return torch.optim.Adam(self.model.parameters(), lr=1e-3)
\ No newline at end of file

conditional_ddpm/eddpm.py

+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+import pytorch_lightning as pl
+import matplotlib.pyplot as plt
+import numpy as np
+from ddpm import DDPM
+
+def expand_alphas(batch, alpha, t):
+    """
+    If t is not a tensor object than expand alpha[t] to shape of batch
+    else get alpha[t] in the shape of x
+    """
+    if isinstance(t, int):
+        return alpha[t].expand(batch.size(0),1)
+    else:
+        return torch.zeros((batch.size(0),1)) + alpha[t][:,None]
+
+
+
+class EDDPM(pl.LightningModule):
+    def __init__(self, n_dim=3, n_steps=200, lbeta=1e-5, ubeta=1e-2, scheduler_type="linear",model_chkpt=None,model_hparams=None):
+        super().__init__()
+        """
+        If you include more hyperparams (e.g. `n_layers`), be sure to add that to `argparse` from `train.py`.
+        Also, manually make sure that this new hyperparameter is being saved in `hparams.yaml`.
+        """
+        self.save_hyperparameters()
+
+        """
+        Your model implementation starts here. We have separate learnable modules for `time_embed` and `model`.
+        You may choose a different architecture altogether. Feel free to explore what works best for you.
+        If your architecture is just a sequence of `torch.nn.XXX` layers, using `torch.nn.Sequential` will be easier.
+        
+        `time_embed` can be learned or a fixed function based on the insights you get from visualizing the data.
+        If your `model` is different for different datasets, you can use a hyperparameter to switch between them.
+        Make sure that your hyperparameter behaves as expecte and is being saved correctly in `hparams.yaml`.
+        """
+        embedding_dim = 8
+
+        # nn.Embedding is used to embed time in a latend dimention that can be passed to the model 
+        #self.time_embed = nn.Embedding(n_steps,embedding_dim)
+
+        self.model = DDPM.load_from_checkpoint(model_chkpt,hparams=model_hparams)
+        self.frozen_model = DDPM.load_from_checkpoint(model_chkpt,hparams=model_hparams)
+        self.frozen_model.eval()
+        """
+        Be sure to save at least these 2 parameters in the model instance.
+        """
+        self.n_steps = n_steps
+        self.n_dim = n_dim
+        
+        # New hyperparameter
+        
+        # Scheduler type (liner/sigmoid/cosine) is stored
+        self.scheduler_type=scheduler_type           
+
+        """
+        Sets up variables for noise schedule
+        """
+        self.init_alpha_beta_schedule(lbeta, ubeta)
+
+    def forward(self, x, t, label):
+        """
+        Similar to `forward` function in `nn.Module`. 
+        Notice here that `x` and `t` are passed separately. If you are using an architecture that combines
+        `x` and `t` in a different way, modify this function appropriately.
+        """
+        if not isinstance(t, torch.Tensor):
+           t = torch.LongTensor([t]).expand(x.size(0))
+        #t_embed = self.time_embed(t)
+        #return self.model(torch.cat((x, t_embed), dim=1).float())
+        return self.model.forward(x,t,label)
+
+    
+    def init_alpha_beta_schedule(self, lbeta, ubeta):
+        """
+        Set up your noise schedule. You can perhaps have an additional hyperparameter that allows you to
+        switch between various schedules for answering q4 in depth. Make sure that this hyperparameter 
+        is included correctly while saving and loading your checkpoints.
+        """
+
+        if self.scheduler_type=="linear":
+            self.beta = torch.linspace(lbeta,ubeta,self.n_steps)
+        elif self.scheduler_type == "sigmoid":
+            self.beta = torch.linspace(-6, 6, self.n_steps)
+            self.beta = torch.sigmoid(self.beta) * (ubeta - lbeta) + lbeta
+        elif self.scheduler_type == "cosine":
+            self.beta = torch.linspace(0, 1, self.n_steps)
+            self.beta = (torch.cos((self.beta)*np.pi/2)+0.002)/1.002 * (ubeta - lbeta) + lbeta
+
+        #Store different type of alpha and beta for speedup calculation
+        self.alpha = 1-self.beta
+        self.alpha_cum = torch.sqrt(torch.cumprod(1 - self.beta, 0))
+        self.alpha_cum_sqrt = torch.sqrt(self.alpha_cum)
+        self.one_min_alphas_sum_sqrt = torch.sqrt(1-self.alpha_cum)
+
+    def q_sample(self, x, t):
+        """
+        Sample from q given x_t.
+        """
+        alpha = expand_alphas(x,self.alpha_cum_sqrt, t)
+        one_minus_alpha = expand_alphas(x, 1-self.alpha_cum, t)
+        _q_sample = (alpha * x) + one_minus_alpha * torch.randn_like(x) 
+        return _q_sample
+
+    def p_sample(self, x, t, label):
+        """
+        Sample from p given x_t.
+        """
+        epsilon_factor = (expand_alphas(x, self.beta, t) / expand_alphas(x, self.one_min_alphas_sum_sqrt, t))
+        epsilon_theta = self.forward(x, t, label)
+        mean = (1 / expand_alphas(x, torch.sqrt(self.alpha), t)) * (x - (epsilon_factor * epsilon_theta))
+        sigma = expand_alphas(x, torch.sqrt(self.beta), t)
+        sample = mean + sigma * torch.randn_like(x)
+        return sample
+
+    def training_step(self, batch, batch_idx):
+        """
+        Implements one training step.
+        Given a batch of samples (n_samples, n_dim) from the distribution you must calculate the loss
+        for this batch. Simply return this loss from this function so that PyTorch Lightning will 
+        automatically do the backprop for you. 
+        Refer to the DDPM paper [1] for more details about equations that you need to implement for
+        calculating loss. Make sure that all the operations preserve gradients for proper backprop.
+        Refer to PyTorch Lightning documentation [2,3] for more details about how the automatic backprop 
+        will update the parameters based on the loss you return from this function.
+
+        References:
+        [1]: https://arxiv.org/abs/2006.11239
+        [2]: https://pytorch-lightning.readthedocs.io/en/stable/
+        [3]: https://www.pytorchlightning.ai/tutorials
+        """
+        batch_x = batch[:,:3]
+        label = batch[:,3]
+        #print(batch_x.shape)
+        #batch_conditioning = batch[:,3:]
+        #print(batch_conditioning.shape)
+        t = torch.zeros((batch_x.shape[0],), dtype = torch.long) + 0
+        #t = torch.randint(0, self.n_steps, size=(batch_x.shape[0],))
+        #print(t.shape)
+        alpha_sqrt = expand_alphas(batch_x, self.alpha_cum_sqrt, t)
+        #print(alpha_sqrt.shape)
+        one_min_alpha_sqrt = expand_alphas(batch_x, self.one_min_alphas_sum_sqrt, t)
+        #print(one_min_alpha_sqrt.shape)
+        noise = torch.randn_like(batch_x)
+        #print(noise.shape)
+        x = batch_x * alpha_sqrt + noise * one_min_alpha_sqrt
+        # c = batch_conditioning * alpha_sqrt + noise * one_min_alpha_sqrt
+        negative_latent = self.forward(x, t, label=label)
+        with torch.no_grad():
+            positive_latent = self.frozen_model(x,t, label)
+            neutral_latent = self.frozen_model(x,t, None)
+
+        eta = 1
+        guidance = neutral_latent - eta*(positive_latent-neutral_latent)
+        
+        # fig = plt.figure()
+        # fig.add_subplot(141,projection='3d')
+        # ax = fig.add_subplot(141, projection='3d').scatter(positive_latent[:,0].cpu().numpy(), positive_latent[:,1].cpu().numpy(), positive_latent[:,2].cpu().numpy(), marker='o')
+        # ax2 = fig.add_subplot(142, projection='3d').scatter(neutral_latent[:,0].cpu().numpy(), neutral_latent[:,1].cpu().numpy(), neutral_latent[:,2].cpu().numpy(), marker='o')
+        # ax3 = fig.add_subplot(143, projection='3d').scatter(guidance[:,0].cpu().numpy(), guidance[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), marker='o')
+        # ax4 = fig.add_subplot(144, projection='3d').scatter(negative_latent.detach().numpy()[:,0], negative_latent.detach().numpy()[:,1], negative_latent.detach().numpy()[:,2], marker='o')
+        # plt.show()
+
+        #guidance = frozen_unconditioning_score - guidance
+        criteria = torch.nn.MSELoss()
+
+        return criteria(negative_latent, guidance)
+        #guidance = frozen_unconditioning_score-frozen_conditioning_score
+        #guidance = frozen_conditioning_score - eta*(frozen_unconditioning_score-frozen_conditioning_score)
+        #guidance = frozen_unconditioning_score - eta*(frozen_unconditioning_score-frozen_conditioning_score)
+        #return (guidance-output).square().mean() 
+
+    def sample(self, n_samples, label, progress=False, return_intermediate=False):
+        """
+        Implements inference step for the DDPM.
+        `progress` is an optional flag to implement -- it should just show the current step in diffusion
+        reverse process.
+        If `return_intermediate` is `False`,
+            the function returns a `n_samples` sampled from the learned DDPM
+            i.e. a Tensor of size (n_samples, n_dim).
+            Return: (n_samples, n_dim)(final result from diffusion)
+        Else
+            the function returns all the intermediate steps in the diffusion process as well 
+            i.e. a Tensor of size (n_samples, n_dim) and a list of `self.n_steps` Tensors of size (n_samples, n_dim) each.
+            Return: (n_samples, n_dim)(final result), [(n_samples, n_dim)(intermediate) x n_steps]
+        """
+        if return_intermediate:
+            out_samples = []
+            out_samples.append(torch.randn((n_samples, self.n_dim)))
+            for t in range(self.n_steps-1, -1, -1):
+                out_samples.append(self.p_sample(out_samples[-1], t))
+            return out_samples[-1], out_samples
+        else:
+            out_sample = torch.randn((n_samples, self.n_dim))
+            for t in range(self.n_steps-1, -1, -1):
+                out_sample = self.p_sample(out_sample, t, label)
+            return out_sample
+
+    def configure_optimizers(self):
+        """
+        Sets up the optimizer to be used for backprop.
+        Must return a `torch.optim.XXX` instance.
+        You may choose to add certain hyperparameters of the optimizers to the `train.py` as well.
+        In our experiments, we chose one good value of optimizer hyperparameters for all experiments.
+        """
+        # We have experimented with both SGD and Adam optimiser
+        #return torch.optim.SGD(self.model.parameters(), lr=0.01)
+        return torch.optim.Adam(self.model.parameters(), lr=1e-3)
\ No newline at end of file

conditional_ddpm/gen_data.py

+import numpy as np
+import torch
+import matplotlib.pyplot as plt
+from matplotlib import cm
+sample_sz = 10000
+
+
+
+def gaussian(x, mu, sig):
+    return np.exp(-np.power(x - mu, 2.) / (2 * np.power(sig, 2.)))
+
+def gaussian_3d(x, y, mu, sig):
+    return np.exp(-np.power(x - mu[0], 2.) / (2 * np.power(sig[0], 2.))) * np.exp(-np.power(y - mu[1], 2.) / (2 * np.power(sig[1], 2.))) 
+    
+def generate_two_gaussian(n_samples=100): 
+    x = np.linspace(-3, 3, n_samples)
+    y = np.linspace(-3, 3, n_samples)
+    X, Y = np.meshgrid(x, y)
+    mu = [-1, -1, 0]
+    sig = [0.5, 0.5, 0.5]
+
+    z =  gaussian_3d(X, Y, mu, sig)
+    mu = [1, 1, 0]
+    new_z = gaussian_3d(X, Y, mu, sig)
+    z = z + new_z
+    data = np.concatenate((X.reshape(-1,1), Y.reshape(-1,1), z.reshape(-1,1)), axis=1)
+    #print(data.shape)
+    return data
+
+def generate_one_gaussian(n_samples=100):
+    x = np.linspace(-3, 3, n_samples)
+    y = np.linspace(-3, 3, n_samples)
+    X, Y = np.meshgrid(x, y)
+    mu = [-1, -1, 0]
+    sig = [0.5, 0.5, 0.5]
+
+    z =  gaussian_3d(X, Y, mu, sig)
+    data = np.concatenate((X.reshape(-1,1), Y.reshape(-1,1), z.reshape(-1,1)), axis=1)
+    #print(data.shape)
+    return data
+
+
+def gen_gaus_train():
+    mean1 = [1.5,1.5,1.5]
+    mean2 = [-1.5,-1.5,-1.5]
+    var = [[1,0,0],[0,1,0],[0,0,1]]
+    data1 = np.random.multivariate_normal(mean1, var, sample_sz)
+    data2 = np.random.multivariate_normal(mean2, var, sample_sz)
+    return np.concatenate((data1,data2), axis=0)
+
+def gen_gaus_finetune():
+    mean = [-1.5,-1.5,-1.5]
+    var = [[1,0,0],[0,1,0],[0,0,1]]
+    return np.random.multivariate_normal(mean, var, 2*sample_sz)
+
+def gen_sphere():
+    vec = np.random.randn(sample_sz, 3)
+    vec /= np.linalg.norm(vec, axis=1, keepdims=True)
+    return 4*vec#/2 +0.5
+    #
+    # print(z.size)
+    return np.concatenate((np.concatenate((data_xy,data_xy),axis = 0),z), axis=1)
+
+def gen_gaus_test():
+    mean = [1.5,1.5,1.5]
+    var = [[1,0,0],[0,1,0],[0,0,1]]
+    return np.random.multivariate_normal(mean, var, 2*sample_sz)
+  
+def gen_plane_data():
+    data = np.zeros((sample_sz, 1))
+    data_xy = np.random.rand(sample_sz, 2) * 8 -4
+    return np.concatenate((data_xy, data),axis=1)
+def gen_plane_data_xy():
+    data = np.zeros((sample_sz, 1))
+    data_xy = np.random.rand(sample_sz, 2) * 8 -4
+    return np.concatenate((data_xy, data),axis=1)
+def gen_plane_data_yz():
+    data = np.zeros((sample_sz, 1))
+    data_xy = np.random.rand(sample_sz, 2) * 8 -4
+    return np.concatenate((data,data_xy),axis=1)
+
+def gen_curve_data():
+    data_xy = np.random.rand(sample_sz, 2) * 8 - 4
+    return np.concatenate((data_xy, np.sum(np.power(data_xy,3),axis=1,keepdims=True)),axis=1)
+
+def gen_sphere_test():
+    mean = [0,0,0]
+    var = [[1,0,0],[0,1,0],[0,0,1]]
+    return np.random.multivariate_normal(mean, var, sample_sz)
+  
+train_data = [gen_plane_data_xy, gen_sphere_test]
+train_idx = [0, 1]
+
+finetune_data = [gen_plane_data_xy]
+test_idx = [0]
+
+train_dataset = []
+for i, data_gen in enumerate(train_data):
+    train_dataset.append(np.concatenate(
+        (data_gen(),np.zeros((sample_sz,1),dtype = int)+train_idx[i]),axis = 1))
+train_dataset = np.concatenate(train_dataset, axis=0)
+
+finetune_dataset = []
+for i, data_gen in enumerate(finetune_data):
+    finetune_dataset.append(np.concatenate(
+        (data_gen(),np.zeros((sample_sz,1),dtype = int)+test_idx[i]),axis = 1))
+finetune_dataset = np.concatenate(finetune_dataset, axis=0)
+
+np.save('./data/gaussian_3D_train.npy', train_dataset)
+np.save('./data/gaussian_3D_ft.npy', finetune_dataset)
+
+fig = plt.figure()
+ax = fig.add_subplot(111, projection='3d')
+ax.scatter(train_dataset[:, 0], train_dataset[:, 1], train_dataset[:, 2], c=train_dataset[:, 3], alpha=0.2)
+#ax.set_zlim(0, 3)
+# ax.set_xlim(-4, 4)
+# ax.set_ylim(-4, 4)
+# ax.set_zlim(-4, 4)
+plt.show()
+
+fig = plt.figure()
+ax = fig.add_subplot(111, projection='3d')
+ax.scatter(finetune_dataset[:, 0], finetune_dataset[:, 1], finetune_dataset[:, 2], c="red", alpha=0.2)
+#ax.set_zlim(0, 3)
+plt.show()
+
+'''
+import numpy as np
+import matplotlib.pyplot as plt
+from mpl_toolkits.mplot3d import Axes3D
+from matplotlib import cm
+import pandas as pd
+from scipy.stats import multivariate_normal
+import torch
+
+
+
+#3d cylinder data generate
+sample_sz = 10000
+
+def cylinder(r=0.25, h=1, n=10000):
+    #function which generates 3d points on a cylinder
+    n_samples = n
+    points = np.zeros((n_samples, 3))
+    theta = np.random.uniform(0, 2*np.pi, n_samples)
+    z = np.random.uniform(0, h, n_samples)
+    points[:, 0] = r * np.cos(theta)
+    points[:, 1] = r * np.sin(theta)
+    points[:, 2] = z
+    return points
+
+def get_cylinder_helix(type_data='train'):
+    helix_3d = np.load(f'./data/helix_3D_{type_data}.npy')
+    #shift z axis of helix_3d
+    helix_3d[:, 2] += 2
+    n_samples = helix_3d.shape[0]
+    #print(n_samples)
+    cylinder_data = cylinder(0.05, 1,n=n_samples)
+    concat = np.concatenate((cylinder_data, helix_3d), axis=0)
+    np.random.shuffle(concat)
+    df = pd.DataFrame(concat, columns=['x','y','z'])
+    df = df.drop_duplicates(['x','y'])
+    df = df.drop_duplicates(['x','z'])
+    df = df.drop_duplicates(['y','z'])
+    concat = df.values
+    mean = np.mean(concat, axis=0)
+    std = np.std(concat, axis=0)
+    concat = (concat - mean) / std
+    #print('type',type(concat),'concat',concat.shape)
+    return concat
+
+
+cylinder_data = cylinder(0.05, 1,n=10000)    
+data = get_cylinder_helix('test')
+cylinder_data = np.concatenate((cylinder_data, np.ones((sample_sz,1), dtype=int)),axis=1)
+data = np.concatenate((data, np.zeros((sample_sz,1), dtype=int)),axis=1)
+data = np.concatenate((cylinder_data,data), axis=0)
+print(data)
+print(cylinder_data)
+np.save('./data/gaussian_3D_train.npy', data)
+np.save('./data/gaussian_3D_ft.npy', cylinder_data)
+
+#scatter plot
+fig = plt.figure()
+ax = fig.add_subplot(111, projection='3d')
+#ax.scatter(data[:, 0], data[:, 1], data[:, 2], c=data[:, 2], cmap=cm.spring, alpha=0.1)
+#ax.scatter(cylinder_data[:, 0], cylinder_data[:, 1], cylinder_data[:, 2], c=cylinder_data[:, 2], cmap=cm.spring, alpha=0.1)
+#ax.set_zlim(0, 3)
+plt.show()
+'''
+

conditional_ddpm/run_ddpm/lightning_logs/version_0/hparams.yaml

+lbeta: 1.0e-05
+n_dim: 3
+n_steps: 100
+scheduler_type: linear
+ubeta: 0.0128

conditional_ddpm/run_ddpm/lightning_logs/version_1/hparams.yaml

+lbeta: 1.0e-05
+n_dim: 3
+n_steps: 100
+scheduler_type: linear
+ubeta: 0.0128

conditional_ddpm/run_eddpm/lightning_logs/version_0/hparams.yaml

+lbeta: 1.0e-05
+model_chkpt: run_ddpm/last.ckpt
+model_hparams: run_ddpm/lightning_logs/version_0/hparams.yaml
+n_dim: 3
+n_steps: 100
+scheduler_type: linear
+ubeta: 0.0128

conditional_ddpm/sample.py

+import os
+import argparse
+import torch
+import numpy as np
+from ddpm import DDPM
+from eddpm import EDDPM
+import matplotlib.pyplot as plt
+
+parser = argparse.ArgumentParser()
+parser.add_argument('-e','--erased', action='store_true', help='model type ddpm/eddpm')
+args = parser.parse_args()
+
+if args.erased:
+    model_type = "eddpm"
+else:
+    model_type = "ddpm"
+
+if args.erased:
+    litmodel = EDDPM.load_from_checkpoint(
+        "run_eddpm/last.ckpt", 
+        hparams_file= "./run_eddpm/lightning_logs/version_0/hparams.yaml"
+    )
+else:
+    litmodel = DDPM.load_from_checkpoint(
+        "run_ddpm/last.ckpt", 
+        hparams_file= "run_ddpm/lightning_logs/version_0/hparams.yaml"
+    )
+    
+    
+litmodel.eval()
+
+sample_sz = 10000
+labels = [0, 1, None]
+
+for label in labels:
+    with torch.no_grad():
+        print(f"Sampling for Label {label}")
+        if label!= None:
+            label = torch.tensor(label)
+        gendata = litmodel.sample(sample_sz, label)
+
+        fig = plt.figure()
+        ax = fig.add_subplot(111, projection='3d')
+        ax.scatter(gendata[:, 0], gendata[:, 1], gendata[:, 2], c=gendata[:, 2], alpha=0.1)
+        #ax.scatter(testdata[:, 0], testdata[:, 1], testdata[:, 2], c=testdata[:, 2], alpha=0.1)
+        ax.set_xlim(-4, 4)
+        ax.set_ylim(-4, 4)
+        ax.set_zlim(-4, 4)
+        ax.set_xlabel("x axis")
+        ax.set_ylabel("y axis")
+        ax.set_zlabel("z axis")
+        plt.savefig(f"results/{model_type}_{label}.pdf")
+        plt.show()
+
+"""
+
+label = torch.tensor(1)
+print(label)
+with torch.no_grad():
+    gendata = litmodel.sample(10000, label)
+
+
+#temp_data = np.concatenate((testdata.numpy(), gendata.numpy()), axis=0)
+#print(f'gendata.shape = {gendata.shape}')
+fig = plt.figure()
+ax = fig.add_subplot(111, projection='3d')
+ax.scatter(gendata[:, 0], gendata[:, 1], gendata[:, 2], c=gendata[:, 2], cmap=cm.spring, alpha=0.1)
+#ax.scatter(testdata[:, 0], testdata[:, 1], testdata[:, 2], c=testdata[:, 2], alpha=0.1)
+# ax.set_xlim(-3, 3)
+# ax.set_ylim(-3, 3)
+# ax.set_zlim(0, 1)
+plt.show()
+
+
+label = None
+print(label)
+with torch.no_grad():
+    gendata = litmodel.sample(10000, label)
+
+
+#temp_data = np.concatenate((testdata.numpy(), gendata.numpy()), axis=0)
+#print(f'gendata.shape = {gendata.shape}')
+fig = plt.figure()
+ax = fig.add_subplot(111, projection='3d')
+ax.scatter(gendata[:, 0], gendata[:, 1], gendata[:, 2], c=gendata[:, 2], cmap=cm.spring, alpha=0.1)
+#ax.scatter(testdata[:, 0], testdata[:, 1], testdata[:, 2], c=testdata[:, 2], alpha=0.1)
+# ax.set_xlim(-3, 3)
+# ax.set_ylim(-3, 3)
+# ax.set_zlim(0, 1)
+plt.show()"""
\ No newline at end of file

conditional_ddpm/train_ddpm.py

+import argparse
+import torch
+import pytorch_lightning as pl
+from ddpm import DDPM
+from dataset import DistDataset
+
+parser = argparse.ArgumentParser()
+
+model_args = parser.add_argument_group('model')
+model_args.add_argument('--n_dim', type=int, default=3, help='Number of dimensions')
+model_args.add_argument('--n_steps', type=int, default=100, help='Number of diffusion steps')
+model_args.add_argument('--lbeta', type=float, default=1e-5, help='Lower bound of beta')
+model_args.add_argument('--ubeta', type=float, default=1.28e-2, help='Upper bound of beta')
+model_args.add_argument('--scheduler_type', type=str, default="linear", help='Variance Scheduling Function')
+
+training_args = parser.add_argument_group('training')
+training_args.add_argument('--seed', type=int, default=1618, help='Random seed for experiments')
+training_args.add_argument('--n_epochs', type=int, default=100, help='Number of training epochs')
+training_args.add_argument('--batch_size', type=int, default=1024, help='Batch size for training dataloader')
+training_args.add_argument('--train_data_path', type=str, default='./data/gaussian_3D_train.npy', help='Path to training data numpy file')
+training_args.add_argument('--savedir', type=str, default='./run_ddpm/', help='Root directory where all checkpoint and logs will be saved')
+
+args = parser.parse_args()
+
+n_dim = args.n_dim
+n_steps = args.n_steps
+lbeta = args.lbeta
+ubeta = args.ubeta
+scheduler_type=args.scheduler_type
+
+pl.seed_everything(args.seed)
+batch_size = args.batch_size
+n_epochs = args.n_epochs
+savedir = args.savedir
+
+litmodel = DDPM(
+    n_dim=n_dim, 
+    n_steps=n_steps, 
+    lbeta=lbeta, 
+    ubeta=ubeta,
+    scheduler_type=scheduler_type
+    )
+
+train_dataset = DistDataset(args.train_data_path)
+
+train_dataloader = torch.utils.data.DataLoader(train_dataset, batch_size=batch_size, shuffle=True)
+
+run_name = f'n_dim={n_dim},n_steps={n_steps},lbeta={lbeta:.3e},ubeta={ubeta:.3e},scheduler_type={scheduler_type},batch_size={batch_size},n_epochs={n_epochs}'
+
+trainer = pl.Trainer(
+    deterministic=True,
+    logger=pl.loggers.TensorBoardLogger(f'{savedir}/'),
+    max_epochs=n_epochs,
+    log_every_n_steps=1,
+    callbacks=[
+        # A dummy model checkpoint callback that stores the latest model at the end of every epoch
+        pl.callbacks.ModelCheckpoint(
+            dirpath=f'{savedir}/',
+            filename='{epoch:04d}-{train_loss:.3f}',
+            save_top_k=1,
+            monitor='epoch',
+            mode='max',
+            save_last=True,
+            every_n_epochs=10,
+        ),
+    ]
+)
+
+trainer.fit(model=litmodel, train_dataloaders=train_dataloader)

conditional_ddpm/train_eddpm.py

+import argparse
+import torch
+import pytorch_lightning as pl
+from eddpm import EDDPM
+from dataset import DistDataset
+
+parser = argparse.ArgumentParser()
+
+model_args = parser.add_argument_group('model')
+model_args.add_argument('--n_dim', type=int, default=3, help='Number of dimensions')
+model_args.add_argument('--n_steps', type=int, default=100, help='Number of diffusion steps')
+model_args.add_argument('--lbeta', type=float, default=1e-5, help='Lower bound of beta')
+model_args.add_argument('--ubeta', type=float, default=1.28e-2, help='Upper bound of beta')
+model_args.add_argument('--scheduler_type', type=str, default="linear", help='Variance Scheduling Function')
+
+training_args = parser.add_argument_group('training')
+training_args.add_argument('--seed', type=int, default=1618, help='Random seed for experiments')
+training_args.add_argument('--n_epochs', type=int, default=100, help='Number of training epochs')
+training_args.add_argument('--batch_size', type=int, default=1024, help='Batch size for training dataloader')
+training_args.add_argument('--train_data_path', type=str, default='./data/gaussian_3D_train.npy', help='Path to training data numpy file')
+training_args.add_argument('--ft_data_path', type=str, default='./data/gaussian_3D_ft.npy', help='Path to conditioning data numpy file')
+training_args.add_argument('--savedir', type=str, default='./run_eddpm/', help='Root directory where all checkpoint and logs will be saved')
+
+args = parser.parse_args()
+
+n_dim = args.n_dim
+n_steps = args.n_steps
+lbeta = args.lbeta
+ubeta = args.ubeta
+scheduler_type=args.scheduler_type
+
+pl.seed_everything(args.seed)
+batch_size = args.batch_size
+n_epochs = args.n_epochs
+savedir = args.savedir
+
+litmodel = EDDPM(
+    n_dim=n_dim, 
+    n_steps=n_steps, 
+    lbeta=lbeta, 
+    ubeta=ubeta,
+    scheduler_type=scheduler_type,
+    model_chkpt='run_ddpm/last.ckpt',
+    model_hparams='run_ddpm/lightning_logs/version_0/hparams.yaml'
+    )
+
+for name, param in litmodel.named_parameters():
+    if 'frozen_model' in name:
+        param.requires_grad = False
+    print(name, param.requires_grad)
+
+train_dataset = DistDataset(args.ft_data_path)
+
+train_dataloader = torch.utils.data.DataLoader(train_dataset, batch_size=batch_size, shuffle=True)
+
+run_name = f'n_dim={n_dim},n_steps={n_steps},lbeta={lbeta:.3e},ubeta={ubeta:.3e},scheduler_type={scheduler_type},batch_size={batch_size},n_epochs={n_epochs}'
+
+trainer = pl.Trainer(
+    deterministic=True,
+    logger=pl.loggers.TensorBoardLogger(f'{savedir}/'),
+    max_epochs=n_epochs,
+    log_every_n_steps=10,
+    callbacks=[
+        # A dummy model checkpoint callback that stores the latest model at the end of every epoch
+        pl.callbacks.ModelCheckpoint(
+            dirpath=f'{savedir}/',
+            filename='{epoch:04d}-{train_loss:.3f}',
+            save_top_k=1,
+            monitor='epoch',
+            mode='max',
+            save_last=True,
+            every_n_epochs=1,
+        ),
+    ]
+)
+
+trainer.fit(model=litmodel, train_dataloaders=train_dataloader)

diff

+diff --git a/abstract_ddpm/convert.py b/abstract_ddpm/convert.py
+deleted file mode 100644
+index 84b274f..0000000
+--- a/abstract_ddpm/convert.py
++++ /dev/null
+@@ -1,36 +0,0 @@
+-
+-import numpy as np
+-'''
+-sin_train = np.load('./data/3d_sin_5_5_train.npy')
+-sin_test = np.load('./data/3d_sin_5_5_test.npy')
+-helix_train = np.load('./data/helix_3D_train.npy')
+-helix_test = np.load('./data/helix_3D_test.npy')
+-sin_bounds = np.load('./data/3d_sin_5_5_bounds.npy')
+-helix_bounds = np.load('./data/helix_3D_bounds.npy')
+-
+-merged_train = np.concatenate((sin_train, helix_train), axis=0)
+-merged_test = np.concatenate((sin_test, helix_test), axis=0)
+-merged_bounds = np.concatenate((sin_bounds, helix_bounds), axis=0)
+-
+-np.save('./data/3d_sin_helix_train.npy', merged_train)
+-np.save('./data/3d_sin_helix_test.npy', merged_test)
+-np.save('./data/3d_sin_helix_bounds.npy', merged_bounds)
+-'''
+-from generate import *
+-
+-train_data = get_cylinder_helix('train')
+-print(train_data.shape)
+-test_data = get_cylinder_helix('test')
+-print(test_data.shape)
+-
+-np.save('./data/3d_cylinder_helix_train.npy',train_data)
+-np.save('./data/3d_cylinder_helix_test.npy',test_data)
+-
+-helix_3d_train = np.load('./data/helix_3D_train.npy')
+-helix_3d_test = np.load('./data/helix_3D_test.npy')
+-
+-helix_3d_train[:,2] += 2
+-helix_3d_test[:,2] += 2
+-
+-np.save('./data/shifted_helix_3D_train.npy',helix_3d_train)
+-np.save('./data/shifted_helix_3D_test.npy',helix_3d_test)
+\ No newline at end of file
+diff --git a/abstract_ddpm/finetune.py b/abstract_ddpm/finetune.py
+index 5fea7c8..932feaa 100644
+--- a/abstract_ddpm/finetune.py
++++ b/abstract_ddpm/finetune.py
+@@ -3,6 +3,9 @@ import torch
+ import pytorch_lightning as pl
+ from finetune_model import FineTuneLitDiffusionModel
+ from dataset import ThreeDSinDataset
++"""
++Python file to perform the finetuning on the diffusion model.
++"""
+ 
+ parser = argparse.ArgumentParser()
+ 
+diff --git a/abstract_ddpm/finetune_model.py b/abstract_ddpm/finetune_model.py
+index 9c07a0f..39b5e65 100644
+--- a/abstract_ddpm/finetune_model.py
++++ b/abstract_ddpm/finetune_model.py
+@@ -18,6 +18,9 @@ def expand_alphas(batch, alpha, t):
+ 
+ 
+ class FineTuneLitDiffusionModel(pl.LightningModule):
++    """
++    Class for finuetuning the diffusion model. 
++    """
+     def __init__(self, n_dim=3, n_steps=200, lbeta=1e-5, ubeta=1e-2, scheduler_type="linear",model_chkpt=None,model_hparams=None):
+         super().__init__()
+         """
+@@ -162,59 +165,11 @@ class FineTuneLitDiffusionModel(pl.LightningModule):
+             frozen_unconditioning_score = self.frozen_model(x,t)
+             frozen_nc_score = self.frozen_model(nc,t)
+         
+-        #guidance = frozen_unconditioning_score - eta*(frozen_conditioning_score-frozen_unconditioning_score)
+-        #a = frozen_conditioning_score
+-        #b = frozen_unconditioning_score
+-        #guidance = 
+-        #guidance = frozen_unconditioning_score + frozen_inv_conditioning_score
+-        #temp = frozen_unconditioning_score - frozen_conditioning_score
+-        #guidance = frozen_unconditioning_score + frozen_conditioning_score
+-        #temp = ((eta)*(frozen_empty_score - frozen_unconditioning_score) - (eta-1.0)*(frozen_conditioning_score-frozen_unconditioning_score))/(eta-1.0)
+-        # temp = frozen_unconditioning_score - temp
+-        #guidance = frozen_unconditioning_score - frozen_empty_score + frozen_unconditioning_score + (eta-1.0)*(frozen_conditioning_score-frozen_unconditioning_score)
+-        #guidance = (eta-1.0)*frozen_conditioning_score - (3.0-eta)*(frozen_unconditioning_score) - frozen_empty_score
+-        #guidance = frozen_unconditioning_score - (eta)*(frozen_conditioning_score-frozen_unconditioning_score)
+-        #temp = (eta/2.0)*((frozen_empty_score - frozen_unconditioning_score) - (eta-1.0)*(frozen_conditioning_score-frozen_unconditioning_score))
+-        #guidance = frozen_unconditioning_score - temp
+-        #a = frozen_conditioning_score
+-        #b = frozen_unconditioning_score
+         temp = frozen_unconditioning_score - frozen_nc_score
+         guidance = (frozen_unconditioning_score + (eta)*(temp))/(eta)
+         a = output
+         b = guidance - output
+ 
+-        # a = frozen_empty_score - frozen_unconditioning_score
+-        # b = frozen_empty_score - frozen_conditioning_score
+-        # temp = a-b
+-        #guidance = frozen_unconditioning_score - temp
+-        #guidance = frozen_unconditioning_score - b
+-        # fig = plt.figure()
+-        # fig.add_subplot(141,projection='3d')
+-        # ax = fig.add_subplot(141, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), a[:,2].detach().numpy(), c=batch_x[:,2], marker='o')
+-        # ax2 = fig.add_subplot(142, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), b[:,2].detach().numpy(), c=batch_x[:,2], marker='o')
+-        # ax3 = fig.add_subplot(143, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), temp[:,2].cpu().numpy(), c=batch_x[:,2], marker='o')
+-        # ax4 = fig.add_subplot(144, projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), c=batch_x[:,2], marker='o')
+-        # plt.show()
+-        # fig = plt.figure()
+-        # fig.add_subplot(121,projection='3d')
+-        # ax = fig.add_subplot(121,projection='3d').scatter(batch_x[:,0].detach().numpy(), batch_x[:,1].detach().numpy(), output[:,2].detach().numpy(), c=batch_x[:,2].detach().numpy(), marker='o')
+-        # ax2 = fig.add_subplot(122,projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), c=batch_x[:,2].cpu().numpy(), marker='o')
+-        # plt.show()
+-        # plt.clf()
+-        # guidance = frozen_empty_score + (eta-1.0)*(frozen_conditioning_score - frozen_unconditioning_score)
+-        # fig = plt.figure()
+-        # fig.add_subplot(121,projection='3d')
+-        # ax = fig.add_subplot(121,projection='3d').scatter(batch_x[:,0].detach().numpy(), batch_x[:,1].detach().numpy(), output[:,2].detach().numpy(), c=batch_x[:,2].detach().numpy(), marker='o')
+-        # ax2 = fig.add_subplot(122,projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), guidance[:,2].cpu().numpy(), c=batch_x[:,2].cpu().numpy(), marker='o')
+-        # plt.show()
+-        # plt.clf()
+-
+-        # fig = plt.figure()
+-        # fig.add_subplot(121,projection='3d')
+-        # ax = fig.add_subplot(121,projection='3d').scatter(batch_x[:,0].detach().numpy(), batch_x[:,1].detach().numpy(), x[:,2].detach().numpy(), c=batch_x[:,2].detach().numpy(), marker='o')
+-        # ax2 = fig.add_subplot(122,projection='3d').scatter(batch_x[:,0].cpu().numpy(), batch_x[:,1].cpu().numpy(), c[:,2].cpu().numpy(), c=batch_conditioning[:,2].cpu().numpy(), marker='o')
+-        # plt.show()
+-        # plt.clf()
+         criteria = torch.nn.MSELoss()
+         return criteria(output, guidance)
+ 
+diff --git a/abstract_ddpm/generate.py b/abstract_ddpm/generate.py
+index 2c2e120..6af11c0 100644
+--- a/abstract_ddpm/generate.py
++++ b/abstract_ddpm/generate.py
+@@ -2,7 +2,9 @@ import numpy as np
+ import torch
+ import matplotlib.pyplot as plt
+ from matplotlib import cm
+-
++"""
++Contains various methods on generating distributions.
++"""
+ def gaussian(x, mu, sig):
+     return np.exp(-np.power(x - mu, 2.) / (2 * np.power(sig, 2.)))
+ 
+diff --git a/conditional_ddpm/ddpm.py b/conditional_ddpm/ddpm.py
+index 8a4a4a4..5eb018e 100644
+--- a/conditional_ddpm/ddpm.py
++++ b/conditional_ddpm/ddpm.py
+@@ -37,7 +37,7 @@ class DDPM(pl.LightningModule):
+ 
+         embedding_dim = 8
+         num_classes = 2
+-
++        self.guidance_scale = 1
+         # nn.Embedding is used to embed time in a latend dimention that can be passed to the model 
+         self.time_embed = nn.Embedding(n_steps,embedding_dim)
+         self.label_embed = nn.Embedding(num_classes, embedding_dim)
+@@ -81,10 +81,15 @@ class DDPM(pl.LightningModule):
+         if not isinstance(t, torch.Tensor):
+             t = torch.LongTensor([t]).expand(x.size(0))
+         t_embed = self.time_embed(t)
++        
++        noise_prediction_uncond = self.model(torch.cat((x, t_embed), dim=1).float())
+         if label != None:
+             label = label.to(torch.int)
+-            t_embed += self.label_embed(label)
+-        return self.model(torch.cat((x, t_embed), dim=1).float())
++            noise_prediction_text = self.model(torch.cat((x, t_embed+self.label_embed(label)), dim=1).float())
++        else:
++            noise_prediction_text = self.model(torch.cat((x, t_embed), dim=1).float())
++        noise_prediction = noise_prediction_uncond + self.guidance_scale * (noise_prediction_text - noise_prediction_uncond)
++        return noise_prediction
+ 
+     
+     def init_alpha_beta_schedule(self, lbeta, ubeta):
+diff --git a/conditional_ddpm/results/ddpm_0.pdf b/conditional_ddpm/results/ddpm_0.pdf
+index ab58b03..45d0600 100644
+Binary files a/conditional_ddpm/results/ddpm_0.pdf and b/conditional_ddpm/results/ddpm_0.pdf differ
+diff --git a/conditional_ddpm/results/ddpm_1.pdf b/conditional_ddpm/results/ddpm_1.pdf
+index 54e41b8..843f831 100644
+Binary files a/conditional_ddpm/results/ddpm_1.pdf and b/conditional_ddpm/results/ddpm_1.pdf differ
+diff --git a/conditional_ddpm/results/ddpm_None.pdf b/conditional_ddpm/results/ddpm_None.pdf
+index 6a4264a..4deaa32 100644
+Binary files a/conditional_ddpm/results/ddpm_None.pdf and b/conditional_ddpm/results/ddpm_None.pdf differ
+diff --git a/conditional_ddpm/results/eddpm_0.pdf b/conditional_ddpm/results/eddpm_0.pdf
+index 4b5028f..9593d2d 100644
+Binary files a/conditional_ddpm/results/eddpm_0.pdf and b/conditional_ddpm/results/eddpm_0.pdf differ
+diff --git a/conditional_ddpm/results/eddpm_1.pdf b/conditional_ddpm/results/eddpm_1.pdf
+index aa73ee3..72a6f3e 100644
+Binary files a/conditional_ddpm/results/eddpm_1.pdf and b/conditional_ddpm/results/eddpm_1.pdf differ
+diff --git a/conditional_ddpm/results/eddpm_None.pdf b/conditional_ddpm/results/eddpm_None.pdf
+index fe62651..5a06aef 100644
+Binary files a/conditional_ddpm/results/eddpm_None.pdf and b/conditional_ddpm/results/eddpm_None.pdf differ
+diff --git a/conditional_ddpm/run_ddpm/epoch=0099-train_loss=0.000.ckpt b/conditional_ddpm/run_ddpm/epoch=0099-train_loss=0.000.ckpt
+index b78fac6..9db9168 100644
+Binary files a/conditional_ddpm/run_ddpm/epoch=0099-train_loss=0.000.ckpt and b/conditional_ddpm/run_ddpm/epoch=0099-train_loss=0.000.ckpt differ
+diff --git a/conditional_ddpm/run_ddpm/last.ckpt b/conditional_ddpm/run_ddpm/last.ckpt
+index b78fac6..9db9168 100644
+Binary files a/conditional_ddpm/run_ddpm/last.ckpt and b/conditional_ddpm/run_ddpm/last.ckpt differ
+diff --git a/conditional_ddpm/run_ddpm/lightning_logs/version_0/events.out.tfevents.1683082330.saswat-HP-Pavilion.67046.0 b/conditional_ddpm/run_ddpm/lightning_logs/version_0/events.out.tfevents.1683082330.saswat-HP-Pavilion.67046.0
+deleted file mode 100644
+index b1ed0d9..0000000
+Binary files a/conditional_ddpm/run_ddpm/lightning_logs/version_0/events.out.tfevents.1683082330.saswat-HP-Pavilion.67046.0 and /dev/null differ
+diff --git a/conditional_ddpm/run_eddpm/epoch=0099-train_loss=0.000.ckpt b/conditional_ddpm/run_eddpm/epoch=0099-train_loss=0.000.ckpt
+index 1a11410..b9579aa 100644
+Binary files a/conditional_ddpm/run_eddpm/epoch=0099-train_loss=0.000.ckpt and b/conditional_ddpm/run_eddpm/epoch=0099-train_loss=0.000.ckpt differ
+diff --git a/conditional_ddpm/run_eddpm/last.ckpt b/conditional_ddpm/run_eddpm/last.ckpt
+index 1a11410..b9579aa 100644
+Binary files a/conditional_ddpm/run_eddpm/last.ckpt and b/conditional_ddpm/run_eddpm/last.ckpt differ
+diff --git a/conditional_ddpm/run_eddpm/lightning_logs/version_0/events.out.tfevents.1683082525.saswat-HP-Pavilion.67404.0 b/conditional_ddpm/run_eddpm/lightning_logs/version_0/events.out.tfevents.1683082525.saswat-HP-Pavilion.67404.0
+deleted file mode 100644
+index dd8faf7..0000000
+Binary files a/conditional_ddpm/run_eddpm/lightning_logs/version_0/events.out.tfevents.1683082525.saswat-HP-Pavilion.67404.0 and /dev/null differ
+diff --git a/stable_df_esd/app.py b/stable_df_esd/app.py
+index 9402f6b..3509fa9 100644
+--- a/stable_df_esd/app.py
++++ b/stable_df_esd/app.py
+@@ -6,6 +6,9 @@ from PIL import Image
+ from inference import inference
+ import numpy as np
+ 
++"""
++Python file to run a demo on the finetuned model.
++"""
+ DEVICE = torch.device("cuda:4" if torch.cuda.is_available() else "cpu")
+ 
+ SD_PATH = 'CompVis/stable-diffusion-v1-4'
+diff --git a/stable_df_esd/inference.py b/stable_df_esd/inference.py
+index f7ecf81..9b348b6 100644
+--- a/stable_df_esd/inference.py
++++ b/stable_df_esd/inference.py
+@@ -6,6 +6,9 @@ from PIL import Image
+ DEVICE = torch.device("cuda:4" if torch.cuda.is_available() else "cpu")
+ 
+ def inference(prompt,sd_path, esd_path):
++    """
++    Given a prompt and a path to ESD generate image after loading ESD.
++    """
+     ddpm = SD()
+     ddpm = ddpm.to(DEVICE)
+     ddpm.eval()
+diff --git a/stable_df_esd/models.py b/stable_df_esd/models.py
+index 8574174..5e575c5 100644
+--- a/stable_df_esd/models.py
++++ b/stable_df_esd/models.py
+@@ -17,7 +17,16 @@ DEVICE = torch.device("cuda:4" if torch.cuda.is_available() else "cpu")
+ 
+ 
+ class SD(torch.nn.Module):
++    """
++    Implementation of Stable diffusion model.
++    """
+     def __init__(self):
++        """
++        Initialise the SD model with various pretraind models. 
++        AutoencoderKL for dimentionality reduction of image, before passing it to 
++        the UNet model for getting the score.
++        CLIPTokenizer and CLIPTextModel are used for toknization and encoding of text prompt.
++        """
+         super().__init__()
+         self.encoder = AutoencoderKL.from_pretrained(ENCODER_PATH,subfolder=ENCODER_FOLDER)
+         self.ddpm = UNet2DConditionModel.from_pretrained(DECODER_PATH,subfolder=DECODER_FOLDER)
+@@ -28,7 +37,9 @@ class SD(torch.nn.Module):
+ 
+     @torch.no_grad()
+     def __call__(self,prompts,pixel_size=512,n_steps=100,batch_size=1,last_itr=None):
+-        
++        """
++        Given a prompt get output from reverse diffusion process.
++        """
+         if type(prompts) != list:
+             prompts = [prompts]
+ 
+@@ -56,7 +67,9 @@ class SD(torch.nn.Module):
+     @torch.no_grad()
+     def reverse_diffusion(self,latents,embeddings,last_itr=1000,first_itr=0,original=False):
+         latents_steps = []
+-
++        """
++        Implementation of reverse diffusion process.
++        """
+         for itr in tqdm(range(first_itr, last_itr)):
+ 
+             noise_pred = self.predict_noise(itr, latents, embeddings)
+@@ -75,6 +88,9 @@ class SD(torch.nn.Module):
+ 
+ 
+     def encode_text(self,prompts, count):
++        """
++        Encode the text using the text tokenizer and encoder from CLIP model.
++        """
+         tokens = self.text_tokenize(prompts)
+ 
+         text_encodings = self.text_encode(tokens)
+@@ -120,7 +136,9 @@ class SD(torch.nn.Module):
+         return pil_images
+     
+     def predict_noise(self,iteration,latents,text_embeddings,guidance_scale=7.5):
+-
++        """
++        The function that predicts noise given a latents, text embedding.
++        """
+         # Doing double forward pass
+         latents = torch.cat([latents] * 2)
+         latents = self.scheduler.scale_model_input(latents, self.scheduler.timesteps[iteration])
+diff --git a/stable_df_esd/train.py b/stable_df_esd/train.py
+index bb72028..4bb1883 100644
+--- a/stable_df_esd/train.py
++++ b/stable_df_esd/train.py
+@@ -9,6 +9,9 @@ ddpm = ddpm.to(DEVICE)
+ ddpm.train()
+ 
+ def train(prompt,epochs=100,eta=1.0,path='./saved_models/esd.pt'):
++    """
++    Method that finetunes the ESD model.
++    """
+     frozen_ddpm = deepcopy(ddpm)
+     frozen_ddpm.eval()
+ 

stable_df_esd/app.py

@@ -6,6 +6,9 @@ from PIL import Image
 from inference import inference
 import numpy as np
 
+"""
+Python file to run a demo on the finetuned model.
+"""
 DEVICE = torch.device("cuda:4" if torch.cuda.is_available() else "cpu")
 
 SD_PATH = 'CompVis/stable-diffusion-v1-4'

stable_df_esd/inference.py

@@ -6,6 +6,9 @@ from PIL import Image
 DEVICE = torch.device("cuda:4" if torch.cuda.is_available() else "cpu")
 
 def inference(prompt,sd_path, esd_path):
+    """
+    Given a prompt and a path to ESD generate image after loading ESD.
+    """
     ddpm = SD()
     ddpm = ddpm.to(DEVICE)
     ddpm.eval()

stable_df_esd/models.py

@@ -17,7 +17,16 @@ DEVICE = torch.device("cuda:4" if torch.cuda.is_available() else "cpu")
 
 
 class SD(torch.nn.Module):
+    """
+    Implementation of Stable diffusion model.
+    """
     def __init__(self):
+        """
+        Initialise the SD model with various pretraind models. 
+        AutoencoderKL for dimentionality reduction of image, before passing it to 
+        the UNet model for getting the score.
+        CLIPTokenizer and CLIPTextModel are used for toknization and encoding of text prompt.
+        """
         super().__init__()
         self.encoder = AutoencoderKL.from_pretrained(ENCODER_PATH,subfolder=ENCODER_FOLDER)
         self.ddpm = UNet2DConditionModel.from_pretrained(DECODER_PATH,subfolder=DECODER_FOLDER)
@@ -28,7 +37,9 @@ class SD(torch.nn.Module):
 
     @torch.no_grad()
     def __call__(self,prompts,pixel_size=512,n_steps=100,batch_size=1,last_itr=None):
-        
+        """
+        Given a prompt get output from reverse diffusion process.
+        """
         if type(prompts) != list:
             prompts = [prompts]
 
@@ -56,7 +67,9 @@ class SD(torch.nn.Module):
     @torch.no_grad()
     def reverse_diffusion(self,latents,embeddings,last_itr=1000,first_itr=0,original=False):
         latents_steps = []
-
+        """
+        Implementation of reverse diffusion process.
+        """
         for itr in tqdm(range(first_itr, last_itr)):
 
             noise_pred = self.predict_noise(itr, latents, embeddings)
@@ -75,6 +88,9 @@ class SD(torch.nn.Module):
 
 
     def encode_text(self,prompts, count):
+        """
+        Encode the text using the text tokenizer and encoder from CLIP model.
+        """
         tokens = self.text_tokenize(prompts)
 
         text_encodings = self.text_encode(tokens)
@@ -120,7 +136,9 @@ class SD(torch.nn.Module):
         return pil_images
     
     def predict_noise(self,iteration,latents,text_embeddings,guidance_scale=7.5):
-
+        """
+        The function that predicts noise given a latents, text embedding.
+        """
         # Doing double forward pass
         latents = torch.cat([latents] * 2)
         latents = self.scheduler.scale_model_input(latents, self.scheduler.timesteps[iteration])

stable_df_esd/train.py

@@ -9,6 +9,9 @@ ddpm = ddpm.to(DEVICE)
 ddpm.train()
 
 def train(prompt,epochs=100,eta=1.0,path='./saved_models/esd.pt'):
+    """
+    Method that finetunes the ESD model.
+    """
     frozen_ddpm = deepcopy(ddpm)
     frozen_ddpm.eval()