Add v_prediction and get_velocity method (#134)

* Add v_prediction option and get_velocity method Signed-off-by: Walter Hugo Lopez Pinaya <[email protected]> * [WIP] Add changes in the inferer to use v_prediction Signed-off-by: Walter Hugo Lopez Pinaya <[email protected]> * Add v_prediction tutorial (#134) Signed-off-by: Walter Hugo Lopez Pinaya <[email protected]> * Change inferer usage to be compatible with new version (#134) Signed-off-by: Walter Hugo Lopez Pinaya <[email protected]> * Update tutorials(#134) Signed-off-by: Walter Hugo Lopez Pinaya <[email protected]> Signed-off-by: Walter Hugo Lopez Pinaya <[email protected]>
Project-MONAI · Dec 12, 2022 · 3dc9b86 · 3dc9b86
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diff --git a/generative/inferers/inferer.py b/generative/inferers/inferer.py
@@ -39,6 +39,7 @@ def __call__(
         inputs: torch.Tensor,
         diffusion_model: Callable[..., torch.Tensor],
         noise: torch.Tensor,
+        timesteps: torch.Tensor,
         condition: Optional[torch.Tensor] = None,
     ) -> torch.Tensor:
         """
@@ -48,10 +49,9 @@ def __call__(
             inputs: Input image to which noise is added.
             diffusion_model: diffusion model.
             noise: random noise, of the same shape as the input.
+            timesteps: random timesteps.
             condition: Conditioning for network input.
         """
-        num_timesteps = self.scheduler.num_train_timesteps
-        timesteps = torch.randint(0, num_timesteps, (inputs.shape[0],), device=inputs.device).long()
         noisy_image = self.scheduler.add_noise(original_samples=inputs, noise=noise, timesteps=timesteps)
         prediction = diffusion_model(x=noisy_image, timesteps=timesteps, context=condition)
 
@@ -123,6 +123,7 @@ def __call__(
         autoencoder_model: Callable[..., torch.Tensor],
         diffusion_model: Callable[..., torch.Tensor],
         noise: torch.Tensor,
+        timesteps: torch.Tensor,
         condition: Optional[torch.Tensor] = None,
     ) -> torch.Tensor:
         """
@@ -133,6 +134,7 @@ def __call__(
             autoencoder_model: first stage model.
             diffusion_model: diffusion model.
             noise: random noise, of the same shape as the latent representation.
+            timesteps: random timesteps.
             condition: conditioning for network input.
         """
         with torch.no_grad():
@@ -142,6 +144,7 @@ def __call__(
             inputs=latent,
             diffusion_model=diffusion_model,
             noise=noise,
+            timesteps=timesteps,
             condition=condition,
         )
 

diff --git a/generative/networks/schedulers/ddim.py b/generative/networks/schedulers/ddim.py
@@ -55,6 +55,9 @@ class DDIMScheduler(nn.Module):
         steps_offset: an offset added to the inference steps. You can use a combination of `steps_offset=1` and
             `set_alpha_to_one=False`, to make the last step use step 0 for the previous alpha product, as done in
             stable diffusion.
+        prediction_type: prediction type of the scheduler function, one of `epsilon` (predicting the noise of the
+            diffusion process), `sample` (directly predicting the noisy sample`) or `v_prediction` (see section 2.4
+            https://imagen.research.google/video/paper.pdf)
     """
 
     def __init__(
@@ -66,6 +69,7 @@ def __init__(
         clip_sample: bool = True,
         set_alpha_to_one: bool = True,
         steps_offset: int = 0,
+        prediction_type: str = "epsilon",
     ) -> None:
         super().__init__()
         self.beta_schedule = beta_schedule
@@ -79,6 +83,12 @@ def __init__(
         else:
             raise NotImplementedError(f"{beta_schedule} does is not implemented for {self.__class__}")
 
+        if prediction_type.lower() not in ["epsilon", "sample", "v_prediction"]:
+            raise ValueError(
+                f"prediction_type given as {prediction_type} must be one of `epsilon`, `sample`, or" " `v_prediction`"
+            )
+
+        self.prediction_type = prediction_type
         self.num_train_timesteps = num_train_timesteps
         self.alphas = 1.0 - self.betas
         self.alphas_cumprod = torch.cumprod(self.alphas, dim=0)
@@ -171,7 +181,14 @@ def step(
 
         # 3. compute predicted original sample from predicted noise also called
         # "predicted x_0" of formula (12) from https://arxiv.org/pdf/2010.02502.pdf
-        pred_original_sample = (sample - beta_prod_t ** (0.5) * model_output) / alpha_prod_t ** (0.5)
+        if self.prediction_type == "epsilon":
+            pred_original_sample = (sample - beta_prod_t ** (0.5) * model_output) / alpha_prod_t ** (0.5)
+        elif self.prediction_type == "sample":
+            pred_original_sample = model_output
+        elif self.prediction_type == "v_prediction":
+            pred_original_sample = (alpha_prod_t**0.5) * sample - (beta_prod_t**0.5) * model_output
+            # predict V
+            model_output = (alpha_prod_t**0.5) * model_output + (beta_prod_t**0.5) * sample
 
         # 4. Clip "predicted x_0"
         if self.clip_sample:
@@ -231,3 +248,21 @@ def add_noise(
 
         noisy_samples = sqrt_alpha_cumprod * original_samples + sqrt_one_minus_alpha_prod * noise
         return noisy_samples
+
+    def get_velocity(self, sample: torch.Tensor, noise: torch.Tensor, timesteps: torch.Tensor) -> torch.Tensor:
+        # Make sure alphas_cumprod and timestep have same device and dtype as sample
+        self.alphas_cumprod = self.alphas_cumprod.to(device=sample.device, dtype=sample.dtype)
+        timesteps = timesteps.to(sample.device)
+
+        sqrt_alpha_prod = self.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 - self.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
diff --git a/generative/networks/schedulers/ddpm.py b/generative/networks/schedulers/ddpm.py
@@ -61,6 +61,7 @@ def __init__(
         beta_schedule: str = "linear",
         variance_type: str = "fixed_small",
         clip_sample: bool = True,
+        prediction_type: str = "epsilon",
     ) -> None:
         super().__init__()
         self.beta_schedule = beta_schedule
@@ -74,6 +75,13 @@ def __init__(
         else:
             raise NotImplementedError(f"{beta_schedule} does is not implemented for {self.__class__}")
 
+        if prediction_type.lower() not in ["epsilon", "sample", "v_prediction"]:
+            raise ValueError(
+                f"prediction_type given as {prediction_type} must be one of `epsilon`, `sample`, or" " `v_prediction`"
+            )
+
+        self.prediction_type = prediction_type
+
         self.num_train_timesteps = num_train_timesteps
         self.alphas = 1.0 - self.betas
         self.alphas_cumprod = torch.cumprod(self.alphas, dim=0)
@@ -170,10 +178,12 @@ def step(
 
         # 2. compute predicted original sample from predicted noise also called
         # "predicted x_0" of formula (15) from https://arxiv.org/pdf/2006.11239.pdf
-        if predict_epsilon:
+        if self.prediction_type == "epsilon":
             pred_original_sample = (sample - beta_prod_t ** (0.5) * model_output) / alpha_prod_t ** (0.5)
-        else:
+        elif self.prediction_type == "sample":
             pred_original_sample = model_output
+        elif self.prediction_type == "v_prediction":
+            pred_original_sample = (alpha_prod_t**0.5) * sample - (beta_prod_t**0.5) * model_output
 
         # 3. Clip "predicted x_0"
         if self.clip_sample:
@@ -233,3 +243,21 @@ def add_noise(
 
         noisy_samples = sqrt_alpha_cumprod * original_samples + sqrt_one_minus_alpha_prod * noise
         return noisy_samples
+
+    def get_velocity(self, sample: torch.Tensor, noise: torch.Tensor, timesteps: torch.Tensor) -> torch.Tensor:
+        # Make sure alphas_cumprod and timestep have same device and dtype as sample
+        self.alphas_cumprod = self.alphas_cumprod.to(device=sample.device, dtype=sample.dtype)
+        timesteps = timesteps.to(sample.device)
+
+        sqrt_alpha_prod = self.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 - self.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
diff --git a/tests/test_diffusion_inferer.py b/tests/test_diffusion_inferer.py
@@ -63,7 +63,8 @@ def test_call(self, model_params, input_shape):
         )
         inferer = DiffusionInferer(scheduler=scheduler)
         scheduler.set_timesteps(num_inference_steps=10)
-        sample = inferer(inputs=input, noise=noise, diffusion_model=model)
+        timesteps = torch.randint(0, scheduler.num_train_timesteps, (input_shape[0],), device=input.device).long()
+        sample = inferer(inputs=input, noise=noise, diffusion_model=model, timesteps=timesteps)
         self.assertEqual(sample.shape, input_shape)
 
     @parameterized.expand(TEST_CASES)

diff --git a/tests/test_latent_diffusion_inferer.py b/tests/test_latent_diffusion_inferer.py
@@ -98,7 +98,10 @@ def test_prediction_shape(self, model_type, autoencoder_params, stage_2_params,
         )
         inferer = LatentDiffusionInferer(scheduler=scheduler, scale_factor=1.0)
         scheduler.set_timesteps(num_inference_steps=10)
-        prediction = inferer(inputs=input, autoencoder_model=autoencoder_model, diffusion_model=stage_2, noise=noise)
+        timesteps = torch.randint(0, scheduler.num_train_timesteps, (input_shape[0],), device=input.device).long()
+        prediction = inferer(
+            inputs=input, autoencoder_model=autoencoder_model, diffusion_model=stage_2, noise=noise, timesteps=timesteps
+        )
         self.assertEqual(prediction.shape, latent_shape)
 
     @parameterized.expand(TEST_CASES)

diff --git a/tutorials/generative/2d_ddpm/2d_ddpm_tutorial.ipynb b/tutorials/generative/2d_ddpm/2d_ddpm_tutorial.ipynb
@@ -780,8 +780,13 @@
     "            # Generate random noise\n",
     "            noise = torch.randn_like(images).to(device)\n",
     "\n",
+    "            # Create timesteps\n",
+    "            timesteps = torch.randint(\n",
+    "                0, inferer.scheduler.num_train_timesteps, (images.shape[0],), device=images.device\n",
+    "            ).long()\n",
+    "\n",
     "            # Get model prediction\n",
-    "            noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise)\n",
+    "            noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise, timesteps=timesteps)\n",
     "\n",
     "            loss = F.mse_loss(noise_pred.float(), noise.float())\n",
     "\n",
@@ -806,7 +811,10 @@
     "            with torch.no_grad():\n",
     "                with autocast(enabled=True):\n",
     "                    noise = torch.randn_like(images).to(device)\n",
-    "                    noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise)\n",
+    "                    timesteps = torch.randint(\n",
+    "                        0, inferer.scheduler.num_train_timesteps, (images.shape[0],), device=images.device\n",
+    "                    ).long()\n",
+    "                    noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise, timesteps=timesteps)\n",
     "                    val_loss = F.mse_loss(noise_pred.float(), noise.float())\n",
     "\n",
     "            val_epoch_loss += val_loss.item()\n",

diff --git a/tutorials/generative/2d_ddpm/2d_ddpm_tutorial.py b/tutorials/generative/2d_ddpm/2d_ddpm_tutorial.py
@@ -207,8 +207,13 @@
             # Generate random noise
             noise = torch.randn_like(images).to(device)
 
+            # Create timesteps
+            timesteps = torch.randint(
+                0, inferer.scheduler.num_train_timesteps, (images.shape[0],), device=images.device
+            ).long()
+
             # Get model prediction
-            noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise)
+            noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise, timesteps=timesteps)
 
             loss = F.mse_loss(noise_pred.float(), noise.float())
 
@@ -233,7 +238,10 @@
             with torch.no_grad():
                 with autocast(enabled=True):
                     noise = torch.randn_like(images).to(device)
-                    noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise)
+                    timesteps = torch.randint(
+                        0, inferer.scheduler.num_train_timesteps, (images.shape[0],), device=images.device
+                    ).long()
+                    noise_pred = inferer(inputs=images, diffusion_model=model, noise=noise, timesteps=timesteps)
                     val_loss = F.mse_loss(noise_pred.float(), noise.float())
 
             val_epoch_loss += val_loss.item()

diff --git a/tutorials/generative/2d_ddpm/2d_ddpm_tutorial_ignite.ipynb b/tutorials/generative/2d_ddpm/2d_ddpm_tutorial_ignite.ipynb
@@ -394,8 +394,9 @@
     ")\n",
     "model.to(device)\n",
     "\n",
+    "num_train_timesteps = 1000\n",
     "scheduler = DDPMScheduler(\n",
-    "    num_train_timesteps=1000,\n",
+    "    num_train_timesteps=num_train_timesteps,\n",
     ")\n",
     "\n",
     "optimizer = torch.optim.Adam(params=model.parameters(), lr=2.5e-5)\n",
@@ -433,13 +434,17 @@
     "\n",
     "    \"\"\"\n",
     "\n",
-    "    def __init__(self, condition_name: Optional[str] = None):\n",
+    "    def __init__(self, num_train_timesteps: int, condition_name: Optional[str] = None):\n",
     "        self.condition_name = condition_name\n",
+    "        self.num_train_timesteps = num_train_timesteps\n",
     "\n",
     "    def get_noise(self, images):\n",
     "        \"\"\"Returns the noise tensor for input tensor `images`, override this for different noise distributions.\"\"\"\n",
     "        return torch.randn_like(images)\n",
     "\n",
+    "    def get_timesteps(self, images):\n",
+    "        return torch.randint(0, self.num_train_timesteps, (images.shape[0],), device=images.device).long()\n",
+    "\n",
     "    def __call__(\n",
     "        self,\n",
     "        batchdata: Dict[str, torch.Tensor],\n",
@@ -449,8 +454,9 @@
     "    ):\n",
     "        images, _ = default_prepare_batch(batchdata, device, non_blocking, **kwargs)\n",
     "        noise = self.get_noise(images).to(device, non_blocking=non_blocking, **kwargs)\n",
+    "        timesteps = self.get_timesteps(images).to(device, non_blocking=non_blocking, **kwargs)\n",
     "\n",
-    "        kwargs = {\"noise\": noise}\n",
+    "        kwargs = {\"noise\": noise, \"timesteps\": timesteps}\n",
     "\n",
     "        if self.condition_name is not None and isinstance(batchdata, Mapping):\n",
     "            kwargs[\"conditioning\"] = batchdata[self.condition_name].to(device, non_blocking=non_blocking, **kwargs)\n",
@@ -2159,7 +2165,7 @@
     "    val_data_loader=val_loader,\n",
     "    network=model,\n",
     "    inferer=inferer,\n",
-    "    prepare_batch=DiffusionPrepareBatch(),\n",
+    "    prepare_batch=DiffusionPrepareBatch(num_train_timesteps=num_train_timesteps),\n",
     "    key_val_metric={\"val_mean_abs_error\": MeanAbsoluteError(output_transform=from_engine([\"pred\", \"label\"]))},\n",
     "    val_handlers=val_handlers,\n",
     ")\n",
@@ -2178,7 +2184,7 @@
     "    optimizer=optimizer,\n",
     "    loss_function=torch.nn.MSELoss(),\n",
     "    inferer=inferer,\n",
-    "    prepare_batch=DiffusionPrepareBatch(),\n",
+    "    prepare_batch=DiffusionPrepareBatch(num_train_timesteps=num_train_timesteps),\n",
     "    key_train_metric={\"train_acc\": MeanSquaredError(output_transform=from_engine([\"pred\", \"label\"]))},\n",
     "    train_handlers=train_handlers,\n",
     ")\n",

diff --git a/tutorials/generative/2d_ddpm/2d_ddpm_tutorial_ignite.py b/tutorials/generative/2d_ddpm/2d_ddpm_tutorial_ignite.py
@@ -177,8 +177,9 @@
 )
 model.to(device)
 
+num_train_timesteps = 1000
 scheduler = DDPMScheduler(
-    num_train_timesteps=1000,
+    num_train_timesteps=num_train_timesteps,
 )
 
 optimizer = torch.optim.Adam(params=model.parameters(), lr=2.5e-5)
@@ -203,13 +204,17 @@ class DiffusionPrepareBatch(PrepareBatch):
 
     """
 
-    def __init__(self, condition_name: Optional[str] = None):
+    def __init__(self, num_train_timesteps: int, condition_name: Optional[str] = None):
         self.condition_name = condition_name
+        self.num_train_timesteps = num_train_timesteps
 
     def get_noise(self, images):
         """Returns the noise tensor for input tensor `images`, override this for different noise distributions."""
         return torch.randn_like(images)
 
+    def get_timesteps(self, images):
+        return torch.randint(0, self.num_train_timesteps, (images.shape[0],), device=images.device).long()
+
     def __call__(
         self,
         batchdata: Dict[str, torch.Tensor],
@@ -219,8 +224,9 @@ def __call__(
     ):
         images, _ = default_prepare_batch(batchdata, device, non_blocking, **kwargs)
         noise = self.get_noise(images).to(device, non_blocking=non_blocking, **kwargs)
+        timesteps = self.get_timesteps(images).to(device, non_blocking=non_blocking, **kwargs)
 
-        kwargs = {"noise": noise}
+        kwargs = {"noise": noise, "timesteps": timesteps}
 
         if self.condition_name is not None and isinstance(batchdata, Mapping):
             kwargs["conditioning"] = batchdata[self.condition_name].to(device, non_blocking=non_blocking, **kwargs)
@@ -244,7 +250,7 @@ def __call__(
     val_data_loader=val_loader,
     network=model,
     inferer=inferer,
-    prepare_batch=DiffusionPrepareBatch(),
+    prepare_batch=DiffusionPrepareBatch(num_train_timesteps=num_train_timesteps),
     key_val_metric={"val_mean_abs_error": MeanAbsoluteError(output_transform=from_engine(["pred", "label"]))},
     val_handlers=val_handlers,
 )
@@ -263,7 +269,7 @@ def __call__(
     optimizer=optimizer,
     loss_function=torch.nn.MSELoss(),
     inferer=inferer,
-    prepare_batch=DiffusionPrepareBatch(),
+    prepare_batch=DiffusionPrepareBatch(num_train_timesteps=num_train_timesteps),
     key_train_metric={"train_acc": MeanSquaredError(output_transform=from_engine(["pred", "label"]))},
     train_handlers=train_handlers,
 )