feat: CLCC register torchmetrics added

Could be moved in a seperate plugin.

.ci/gpu.Dockerfile

@@ -1,5 +0,0 @@
-FROM nvcr.io/nvidia/pytorch:21.10-py3
-
-RUN adduser --uid 1000 jenkins
-
-USER jenkins

.ci/python310.Dockerfile

@@ -1,5 +0,0 @@
-FROM python:3.9
-
-RUN adduser --uid 1000 jenkins
-
-USER jenkins

.ci/python36.Dockerfile

@@ -1,5 +0,0 @@
-FROM python:3.6
-
-RUN adduser --uid 1000 jenkins
-
-USER jenkins

.ci/python37.Dockerfile

@@ -1,5 +0,0 @@
-FROM python:3.7
-
-RUN adduser --uid 1000 jenkins
-
-USER jenkins

.ci/python38.Dockerfile

@@ -1,5 +0,0 @@
-FROM python:3.8
-
-RUN adduser --uid 1000 jenkins
-
-USER jenkins

.ci/python39.Dockerfile

@@ -1,5 +0,0 @@
-FROM python:3.9
-
-RUN adduser --uid 1000 jenkins
-
-USER jenkins

.pre-commit-config.yaml

@@ -18,12 +18,12 @@ repos:
   - id: autoflake
 
 - repo: http://github.com/PyCQA/isort
-  rev: 5.8.0
+  rev: 5.9.3
   hooks:
   - id: isort
 
 - repo: https://github.com/pre-commit/mirrors-mypy
-  rev: v0.902
+  rev: v0.910-1
   hooks:
   - id: mypy
     files: prototorch
@@ -42,9 +42,10 @@ repos:
   - id: python-check-blanket-noqa
 
 - repo: https://github.com/asottile/pyupgrade
-  rev: v2.19.4
+  rev: v2.29.0
   hooks:
   - id: pyupgrade
+    args: [--py36-plus]
 
 - repo: https://github.com/si-cim/gitlint
   rev: v0.15.2-unofficial

Jenkinsfile

@@ -1,118 +0,0 @@
-pipeline {
-  agent none
-  stages {
-    stage('Unit Tests') {
-          agent {
-            dockerfile {
-              filename 'python310.Dockerfile'
-              dir '.ci'
-            }
-
-          }
-          steps {
-            sh 'pip install pip --upgrade --progress-bar off'
-            sh 'pip install .[all] --progress-bar off'
-            sh '~/.local/bin/pytest -v --junitxml=reports/result.xml --cov=prototorch/ --cov-report=xml:reports/coverage.xml'
-            cobertura coberturaReportFile: 'reports/coverage.xml'
-            junit 'reports/**/*.xml'
-          }
-    }
-
-    stage('CPU Examples') {
-      parallel {
-        stage('3.10') {
-          agent {
-            dockerfile {
-              filename 'python310.Dockerfile'
-              dir '.ci'
-            }
-
-          }
-          steps {
-            sh 'pip install pip --upgrade --progress-bar off'
-            sh 'pip install .[all] --progress-bar off'
-            sh './tests/test_examples.sh examples'
-          }
-        }
-
-        stage('3.9') {
-          agent {
-            dockerfile {
-              filename 'python39.Dockerfile'
-              dir '.ci'
-            }
-
-          }
-          steps {
-            sh 'pip install pip --upgrade --progress-bar off'
-            sh 'pip install .[all] --progress-bar off'
-            sh './tests/test_examples.sh examples'
-          }
-        }
-
-        stage('3.8') {
-          agent {
-            dockerfile {
-              filename 'python38.Dockerfile'
-              dir '.ci'
-            }
-
-          }
-          steps {
-            sh 'pip install pip --upgrade --progress-bar off'
-            sh 'pip install .[all] --progress-bar off'
-            sh './tests/test_examples.sh examples'
-          }
-        }
-
-        stage('3.7') {
-          agent {
-            dockerfile {
-              filename 'python37.Dockerfile'
-              dir '.ci'
-            }
-
-          }
-          steps {
-            sh 'pip install pip --upgrade --progress-bar off'
-            sh 'pip install .[all] --progress-bar off'
-            sh './tests/test_examples.sh examples'
-          }
-        }
-
-        stage('3.6') {
-          agent {
-            dockerfile {
-              filename 'python36.Dockerfile'
-              dir '.ci'
-            }
-
-          }
-          steps {
-            sh 'pip install pip --upgrade --progress-bar off'
-            sh 'pip install .[all] --progress-bar off'
-            sh './tests/test_examples.sh examples'
-          }
-        }
-
-      }
-    }
-
-    stage('GPU Examples') {
-      agent {
-        dockerfile {
-          filename 'gpu.Dockerfile'
-          dir '.ci'
-          args '--gpus 1'
-        }
-
-      }
-      steps {
-        sh 'pip install -U pip --progress-bar off'
-        sh 'pip install .[all] --progress-bar off'
-        sh './tests/test_examples.sh examples --gpu'
-      }
-    }
-
-  }
-}

examples/cbc_iris.py

@@ -38,10 +38,12 @@ if __name__ == "__main__":
     )
 
     # Callbacks
-    vis = pt.models.VisCBC2D(data=train_ds,
+    vis = pt.models.Visualize2DVoronoiCallback(
+        data=train_ds,
         title="CBC Iris Example",
         resolution=100,
-                             axis_off=True)
+        axis_off=True,
+    )
 
     # Setup trainer
     trainer = pl.Trainer.from_argparse_args(

examples/cli/README.md

@@ -1,8 +0,0 @@
-# Examples using Lightning CLI
-
-Examples in this folder use the experimental [Lightning CLI](https://pytorch-lightning.readthedocs.io/en/latest/common/lightning_cli.html).
-
-To use the example run
-```
-python gmlvq.py --config gmlvq.yaml
-```

examples/cli/gmlvq.py

@@ -1,19 +0,0 @@
-"""GMLVQ example using the MNIST dataset."""
-
-import prototorch as pt
-import torch
-from prototorch.models import ImageGMLVQ
-from prototorch.models.abstract import PrototypeModel
-from prototorch.models.data import MNISTDataModule
-from pytorch_lightning.utilities.cli import LightningCLI
-
-
-class ExperimentClass(ImageGMLVQ):
-    def __init__(self, hparams, **kwargs):
-        super().__init__(hparams,
-                         optimizer=torch.optim.Adam,
-                         prototype_initializer=pt.components.zeros(28 * 28),
-                         **kwargs)
-
-
-cli = LightningCLI(ImageGMLVQ, MNISTDataModule)

examples/cli/gmlvq.yaml

@@ -1,11 +0,0 @@
-model:
-  hparams:
-    input_dim: 784
-    latent_dim: 784
-    distribution:
-      num_classes: 10
-      prototypes_per_class: 2
-    proto_lr: 0.01
-    bb_lr: 0.01
-data:
-  batch_size: 32

examples/glvq_iris.py

@@ -3,6 +3,7 @@
 import argparse
 
 import prototorch as pt
+import prototorch.models.clcc
 import pytorch_lightning as pl
 import torch
 from torch.optim.lr_scheduler import ExponentialLR
@@ -29,7 +30,7 @@ if __name__ == "__main__":
     )
 
     # Initialize the model
-    model = pt.models.GLVQ(
+    model = prototorch.models.GLVQ(
         hparams,
         optimizer=torch.optim.Adam,
         prototypes_initializer=pt.initializers.SMCI(train_ds),
@@ -41,7 +42,13 @@ if __name__ == "__main__":
     model.example_input_array = torch.zeros(4, 2)
 
     # Callbacks
-    vis = pt.models.VisGLVQ2D(data=train_ds)
+    vis = pt.models.Visualize2DVoronoiCallback(
+        data=train_ds,
+        resolution=200,
+        title="Example: GLVQ on Iris",
+        x_label="sepal length",
+        y_label="petal length",
+    )
 
     # Setup trainer
     trainer = pl.Trainer.from_argparse_args(

examples/gmlvq_iris.py

@@ -0,0 +1,58 @@
+"""GMLVQ example using the Iris dataset."""
+
+import argparse
+
+import prototorch as pt
+import pytorch_lightning as pl
+import torch
+from torch.optim.lr_scheduler import ExponentialLR
+
+if __name__ == "__main__":
+    # Command-line arguments
+    parser = argparse.ArgumentParser()
+    parser = pl.Trainer.add_argparse_args(parser)
+    args = parser.parse_args()
+
+    # Dataset
+    train_ds = pt.datasets.Iris()
+
+    # Dataloaders
+    train_loader = torch.utils.data.DataLoader(train_ds, batch_size=64)
+
+    # Hyperparameters
+    hparams = dict(
+        input_dim=4,
+        latent_dim=4,
+        distribution={
+            "num_classes": 3,
+            "per_class": 2
+        },
+        proto_lr=0.01,
+        bb_lr=0.01,
+    )
+
+    # Initialize the model
+    model = pt.models.GMLVQ(
+        hparams,
+        optimizer=torch.optim.Adam,
+        prototypes_initializer=pt.initializers.SMCI(train_ds),
+        lr_scheduler=ExponentialLR,
+        lr_scheduler_kwargs=dict(gamma=0.99, verbose=False),
+    )
+
+    # Compute intermediate input and output sizes
+    model.example_input_array = torch.zeros(4, 4)
+
+    # Callbacks
+    vis = pt.models.VisGMLVQ2D(data=train_ds)
+
+    # Setup trainer
+    trainer = pl.Trainer.from_argparse_args(
+        args,
+        callbacks=[vis],
+        weights_summary="full",
+        accelerator="ddp",
+    )
+
+    # Training loop
+    trainer.fit(model, train_loader)

examples/knn_iris.py

@@ -6,6 +6,7 @@ import prototorch as pt
 import pytorch_lightning as pl
 import torch
 from sklearn.datasets import load_iris
+from sklearn.model_selection import train_test_split
 
 if __name__ == "__main__":
     # Command-line arguments
@@ -14,12 +15,20 @@ if __name__ == "__main__":
     args = parser.parse_args()
 
     # Dataset
-    x_train, y_train = load_iris(return_X_y=True)
+    X, y = load_iris(return_X_y=True)
-    x_train = x_train[:, [0, 2]]
+    X = X[:, [0, 2]]
-    train_ds = pt.datasets.NumpyDataset(x_train, y_train)
+
+    X_train, X_test, y_train, y_test = train_test_split(X,
+                                                        y,
+                                                        test_size=0.5,
+                                                        random_state=42)
+
+    train_ds = pt.datasets.NumpyDataset(X_train, y_train)
+    test_ds = pt.datasets.NumpyDataset(X_test, y_test)
 
     # Dataloaders
-    train_loader = torch.utils.data.DataLoader(train_ds, batch_size=150)
+    train_loader = torch.utils.data.DataLoader(train_ds, batch_size=16)
+    test_loader = torch.utils.data.DataLoader(test_ds, batch_size=16)
 
     # Hyperparameters
     hparams = dict(k=5)
@@ -35,7 +44,7 @@ if __name__ == "__main__":
 
     # Callbacks
     vis = pt.models.VisGLVQ2D(
-        data=(x_train, y_train),
+        data=(X_train, y_train),
         resolution=200,
         block=True,
     )
@@ -53,5 +62,8 @@ if __name__ == "__main__":
     trainer.fit(model, train_loader)
 
     # Recall
-    y_pred = model.predict(torch.tensor(x_train))
+    y_pred = model.predict(torch.tensor(X_train))
     print(y_pred)
+
+    # Test
+    trainer.test(model, dataloaders=test_loader)

prototorch/models/abstract.py

@@ -3,13 +3,12 @@
 import pytorch_lightning as pl
 import torch
 import torchmetrics
-
+from prototorch.core.competitions import WTAC
-from ..core.competitions import WTAC
+from prototorch.core.components import Components, LabeledComponents
-from ..core.components import Components, LabeledComponents
+from prototorch.core.distances import euclidean_distance
-from ..core.distances import euclidean_distance
+from prototorch.core.initializers import LabelsInitializer
-from ..core.initializers import LabelsInitializer
+from prototorch.core.pooling import stratified_min_pooling
-from ..core.pooling import stratified_min_pooling
+from prototorch.nn.wrappers import LambdaLayer
-from ..nn.wrappers import LambdaLayer
 
 
 class ProtoTorchBolt(pl.LightningModule):
@@ -162,31 +161,10 @@ class SupervisedPrototypeModel(PrototypeModel):
                  prog_bar=True,
                  logger=True)
 
+    def test_step(self, batch, batch_idx):
+        x, targets = batch
 
-class ProtoTorchMixin(object):
+        preds = self.predict(x)
-    """All mixins are ProtoTorchMixins."""
+        accuracy = torchmetrics.functional.accuracy(preds.int(), targets.int())
-    pass
 
-
+        self.log("test_acc", accuracy)
-class NonGradientMixin(ProtoTorchMixin):
-    """Mixin for custom non-gradient optimization."""
-    def __init__(self, *args, **kwargs):
-        super().__init__(*args, **kwargs)
-        self.automatic_optimization = False
-
-    def training_step(self, train_batch, batch_idx, optimizer_idx=None):
-        raise NotImplementedError
-
-
-class ImagePrototypesMixin(ProtoTorchMixin):
-    """Mixin for models with image prototypes."""
-    def on_train_batch_end(self, outputs, batch, batch_idx, dataloader_idx):
-        """Constrain the components to the range [0, 1] by clamping after updates."""
-        self.proto_layer.components.data.clamp_(0.0, 1.0)
-
-    def get_prototype_grid(self, num_columns=2, return_channels_last=True):
-        from torchvision.utils import make_grid
-        grid = make_grid(self.components, nrow=num_columns)
-        if return_channels_last:
-            grid = grid.permute((1, 2, 0))
-        return grid.cpu()

prototorch/models/callbacks.py

@@ -4,9 +4,9 @@ import logging
 
 import pytorch_lightning as pl
 import torch
+from prototorch.core.components import Components
+from prototorch.core.initializers import LiteralCompInitializer
 
-from ..core.components import Components
-from ..core.initializers import LiteralCompInitializer
 from .extras import ConnectionTopology
 
 

prototorch/models/cbc.py

@@ -1,14 +1,14 @@
 import torch
 import torchmetrics
+from prototorch.core.competitions import CBCC
+from prototorch.core.components import ReasoningComponents
+from prototorch.core.initializers import RandomReasoningsInitializer
+from prototorch.core.losses import MarginLoss
+from prototorch.core.similarities import euclidean_similarity
+from prototorch.nn.wrappers import LambdaLayer
 
-from ..core.competitions import CBCC
-from ..core.components import ReasoningComponents
-from ..core.initializers import RandomReasoningsInitializer
-from ..core.losses import MarginLoss
-from ..core.similarities import euclidean_similarity
-from ..nn.wrappers import LambdaLayer
-from .abstract import ImagePrototypesMixin
 from .glvq import SiameseGLVQ
+from .mixin import ImagePrototypesMixin
 
 
 class CBC(SiameseGLVQ):

prototorch/models/clcc/clcc_glvq.py

@@ -0,0 +1,86 @@
+from dataclasses import dataclass
+from typing import Callable
+
+import torch
+from prototorch.core.competitions import WTAC
+from prototorch.core.components import LabeledComponents
+from prototorch.core.distances import euclidean_distance
+from prototorch.core.initializers import AbstractComponentsInitializer, LabelsInitializer
+from prototorch.core.losses import GLVQLoss
+from prototorch.models.clcc.clcc_scheme import CLCCScheme
+from prototorch.nn.wrappers import LambdaLayer
+
+
+@dataclass
+class GLVQhparams:
+    distribution: dict
+    component_initializer: AbstractComponentsInitializer
+    distance_fn: Callable = euclidean_distance
+    lr: float = 0.01
+    margin: float = 0.0
+    # TODO: make nicer
+    transfer_fn: str = "identity"
+    transfer_beta: float = 10.0
+    optimizer: torch.optim.Optimizer = torch.optim.Adam
+
+
+class GLVQ(CLCCScheme):
+    def __init__(self, hparams: GLVQhparams) -> None:
+        super().__init__(hparams)
+        self.lr = hparams.lr
+        self.optimizer = hparams.optimizer
+
+    # Initializers
+    def init_components(self, hparams):
+        # initialize Component Layer
+        self.components_layer = LabeledComponents(
+            distribution=hparams.distribution,
+            components_initializer=hparams.component_initializer,
+            labels_initializer=LabelsInitializer(),
+        )
+
+    def init_comparison(self, hparams):
+        # initialize Distance Layer
+        self.comparison_layer = LambdaLayer(hparams.distance_fn)
+
+    def init_inference(self, hparams):
+        self.competition_layer = WTAC()
+
+    def init_loss(self, hparams):
+        self.loss_layer = GLVQLoss(
+            margin=hparams.margin,
+            transfer_fn=hparams.transfer_fn,
+            beta=hparams.transfer_beta,
+        )
+
+    # Steps
+    def comparison(self, batch, components):
+        comp_tensor, _ = components
+        batch_tensor, _ = batch
+
+        comp_tensor = comp_tensor.unsqueeze(1)
+
+        distances = self.comparison_layer(batch_tensor, comp_tensor)
+
+        return distances
+
+    def inference(self, comparisonmeasures, components):
+        comp_labels = components[1]
+        return self.competition_layer(comparisonmeasures, comp_labels)
+
+    def loss(self, comparisonmeasures, batch, components):
+        target = batch[1]
+        comp_labels = components[1]
+        return self.loss_layer(comparisonmeasures, target, comp_labels)
+
+    def configure_optimizers(self):
+        return self.optimizer(self.parameters(), lr=self.lr)
+
+    # Properties
+    @property
+    def prototypes(self):
+        return self.components_layer.components.detach().cpu()
+
+    @property
+    def prototype_labels(self):
+        return self.components_layer.labels.detach().cpu()

prototorch/models/clcc/clcc_scheme.py

@@ -0,0 +1,192 @@
+"""
+CLCC Scheme
+
+CLCC is a LVQ scheme containing 4 steps
+- Components
+- Latent Space
+- Comparison
+- Competition
+
+"""
+from typing import Dict, Set, Type
+
+import pytorch_lightning as pl
+import torch
+import torchmetrics
+
+
+class CLCCScheme(pl.LightningModule):
+    registered_metrics: Dict[Type[torchmetrics.Metric],
+                             torchmetrics.Metric] = {}
+    registered_metric_names: Dict[Type[torchmetrics.Metric], Set[str]] = {}
+
+    def __init__(self, hparams) -> None:
+        super().__init__()
+
+        # Common Steps
+        self.init_components(hparams)
+        self.init_latent(hparams)
+        self.init_comparison(hparams)
+        self.init_competition(hparams)
+
+        # Train Steps
+        self.init_loss(hparams)
+
+        # Inference Steps
+        self.init_inference(hparams)
+
+        # Initialize Model Metrics
+        self.init_model_metrics()
+
+    # internal API, called by models and callbacks
+    def register_torchmetric(self, name: str, metric: torchmetrics.Metric):
+        if metric not in self.registered_metrics:
+            self.registered_metrics[metric] = metric()
+            self.registered_metric_names[metric] = {name}
+        else:
+            self.registered_metric_names[metric].add(name)
+
+    # external API
+    def get_competion(self, batch, components):
+        latent_batch, latent_components = self.latent(batch, components)
+        # TODO: => Latent Hook
+        comparison_tensor = self.comparison(latent_batch, latent_components)
+        # TODO: => Comparison Hook
+        return comparison_tensor
+
+    def forward(self, batch):
+        if isinstance(batch, torch.Tensor):
+            batch = (batch, None)
+        # TODO: manage different datatypes?
+        components = self.components_layer()
+        # TODO: => Component Hook
+        comparison_tensor = self.get_competion(batch, components)
+        # TODO: => Competition Hook
+        return self.inference(comparison_tensor, components)
+
+    def predict(self, batch):
+        """
+        Alias for forward
+        """
+        return self.forward(batch)
+
+    def loss_forward(self, batch):
+        # TODO: manage different datatypes?
+        components = self.components_layer()
+        # TODO: => Component Hook
+        comparison_tensor = self.get_competion(batch, components)
+        # TODO: => Competition Hook
+        return self.loss(comparison_tensor, batch, components)
+
+    # Empty Initialization
+    # TODO: Type hints
+    # TODO: Docs
+    def init_components(self, hparams):
+        ...
+
+    def init_latent(self, hparams):
+        ...
+
+    def init_comparison(self, hparams):
+        ...
+
+    def init_competition(self, hparams):
+        ...
+
+    def init_loss(self, hparams):
+        ...
+
+    def init_inference(self, hparams):
+        ...
+
+    def init_model_metrics(self):
+        self.register_torchmetric('train_accuracy', torchmetrics.Accuracy)
+
+    # Empty Steps
+    # TODO: Type hints
+    def components(self):
+        """
+        This step has no input.
+
+        It returns the components.
+        """
+        raise NotImplementedError(
+            "The components step has no reasonable default.")
+
+    def latent(self, batch, components):
+        """
+        The latent step receives the data batch and the components.
+        It can transform both by an arbitrary function.
+
+        It returns the transformed batch and components, each of the same length as the original input.
+        """
+        return batch, components
+
+    def comparison(self, batch, components):
+        """
+        Takes a batch of size N and the componentsset of size M.
+
+        It returns an NxMxD tensor containing D (usually 1) pairwise comparison measures.
+        """
+        raise NotImplementedError(
+            "The comparison step has no reasonable default.")
+
+    def competition(self, comparisonmeasures, components):
+        """
+        Takes the tensor of comparison measures.
+
+        Assigns a competition vector to each class.
+        """
+        raise NotImplementedError(
+            "The competition step has no reasonable default.")
+
+    def loss(self, comparisonmeasures, batch, components):
+        """
+        Takes the tensor of competition measures.
+
+        Calculates a single loss value
+        """
+        raise NotImplementedError("The loss step has no reasonable default.")
+
+    def inference(self, comparisonmeasures, components):
+        """
+        Takes the tensor of competition measures.
+
+        Returns the inferred vector.
+        """
+        raise NotImplementedError(
+            "The inference step has no reasonable default.")
+
+    def update_metrics_step(self, batch):
+        x, y = batch
+        preds = self(x)
+
+        for metric in self.registered_metrics:
+            instance = self.registered_metrics[metric].to(self.device)
+            value = instance(y, preds)
+
+            for name in self.registered_metric_names[metric]:
+                self.log(name, value)
+
+    def update_metrics_epoch(self):
+        for metric in self.registered_metrics:
+            instance = self.registered_metrics[metric].to(self.device)
+            value = instance.compute()
+
+            for name in self.registered_metric_names[metric]:
+                self.log(name, value)
+
+    # Lightning Hooks
+    def training_step(self, batch, batch_idx, optimizer_idx=None):
+        self.update_metrics_step(batch)
+
+        return self.loss_forward(batch)
+
+    def train_epoch_end(self, outs) -> None:
+        self.update_metrics_epoch()
+
+    def validation_step(self, batch, batch_idx):
+        return self.loss_forward(batch)
+
+    def test_step(self, batch, batch_idx):
+        return self.loss_forward(batch)

prototorch/models/clcc/test_clcc.py

@@ -0,0 +1,76 @@
+from typing import Optional
+
+import matplotlib.pyplot as plt
+import prototorch as pt
+import pytorch_lightning as pl
+import torch
+import torchmetrics
+from prototorch.core.initializers import SMCI, RandomNormalCompInitializer
+from prototorch.models.clcc.clcc_glvq import GLVQ, GLVQhparams
+from prototorch.models.clcc.clcc_scheme import CLCCScheme
+from prototorch.models.vis import Visualize2DVoronoiCallback
+
+# NEW STUFF
+# ##############################################################################
+
+
+# TODO: Metrics
+class MetricsTestCallback(pl.Callback):
+    metric_name = "test_cb_acc"
+
+    def setup(self,
+              trainer: pl.Trainer,
+              pl_module: CLCCScheme,
+              stage: Optional[str] = None) -> None:
+        pl_module.register_torchmetric(self.metric_name, torchmetrics.Accuracy)
+
+    def on_epoch_end(self, trainer: pl.Trainer,
+                     pl_module: pl.LightningModule) -> None:
+        metric = trainer.logged_metrics[self.metric_name]
+        if metric > 0.95:
+            trainer.should_stop = True
+
+
+# TODO: Pruning
+
+# ##############################################################################
+
+if __name__ == "__main__":
+    # Dataset
+    train_ds = pt.datasets.Iris(dims=[0, 2])
+    # Dataloaders
+    train_loader = torch.utils.data.DataLoader(train_ds,
+                                               batch_size=64,
+                                               num_workers=8)
+
+    components_initializer = SMCI(train_ds)
+
+    hparams = GLVQhparams(
+        distribution=dict(
+            num_classes=3,
+            per_class=2,
+        ),
+        component_initializer=components_initializer,
+    )
+    model = GLVQ(hparams)
+
+    print(model)
+    # Callbacks
+    vis = Visualize2DVoronoiCallback(
+        data=train_ds,
+        resolution=500,
+    )
+    metrics = MetricsTestCallback()
+
+    # Train
+    trainer = pl.Trainer(
+        callbacks=[
+            #vis,
+            metrics,
+        ],
+        gpus=1,
+        max_epochs=100,
+        weights_summary=None,
+        log_every_n_steps=1,
+    )
+    trainer.fit(model, train_loader)

prototorch/models/data.py

@@ -1,123 +0,0 @@
-"""Prototorch Data Modules
-
-This allows to store the used dataset inside a Lightning Module.
-Mainly used for PytorchLightningCLI configurations.
-"""
-from typing import Any, Optional, Type
-
-import prototorch as pt
-import pytorch_lightning as pl
-from torch.utils.data import DataLoader, Dataset, random_split
-from torchvision import transforms
-from torchvision.datasets import MNIST
-
-
-# MNIST
-class MNISTDataModule(pl.LightningDataModule):
-    def __init__(self, batch_size=32):
-        super().__init__()
-        self.batch_size = batch_size
-
-    # Download mnist dataset as side-effect, only called on the first cpu
-    def prepare_data(self):
-        MNIST("~/datasets", train=True, download=True)
-        MNIST("~/datasets", train=False, download=True)
-
-    # called for every GPU/machine (assigning state is OK)
-    def setup(self, stage=None):
-        # Transforms
-        transform = transforms.Compose([
-            transforms.ToTensor(),
-        ])
-        # Split dataset
-        if stage in (None, "fit"):
-            mnist_train = MNIST("~/datasets", train=True, transform=transform)
-            self.mnist_train, self.mnist_val = random_split(
-                mnist_train,
-                [55000, 5000],
-            )
-        if stage == (None, "test"):
-            self.mnist_test = MNIST(
-                "~/datasets",
-                train=False,
-                transform=transform,
-            )
-
-    # Dataloaders
-    def train_dataloader(self):
-        mnist_train = DataLoader(self.mnist_train, batch_size=self.batch_size)
-        return mnist_train
-
-    def val_dataloader(self):
-        mnist_val = DataLoader(self.mnist_val, batch_size=self.batch_size)
-        return mnist_val
-
-    def test_dataloader(self):
-        mnist_test = DataLoader(self.mnist_test, batch_size=self.batch_size)
-        return mnist_test
-
-
-# def train_on_mnist(batch_size=256) -> type:
-#     class DataClass(pl.LightningModule):
-#         datamodule = MNISTDataModule(batch_size=batch_size)
-
-#         def __init__(self, *args, **kwargs):
-#             prototype_initializer = kwargs.pop(
-#                 "prototype_initializer", pt.components.Zeros((28, 28, 1)))
-#             super().__init__(*args,
-#                              prototype_initializer=prototype_initializer,
-#                              **kwargs)
-
-#     dc: Type[DataClass] = DataClass
-#     return dc
-
-
-# ABSTRACT
-class GeneralDataModule(pl.LightningDataModule):
-    def __init__(self, dataset: Dataset, batch_size: int = 32) -> None:
-        super().__init__()
-        self.train_dataset = dataset
-        self.batch_size = batch_size
-
-    def train_dataloader(self) -> DataLoader:
-        return DataLoader(self.train_dataset, batch_size=self.batch_size)
-
-
-# def train_on_dataset(dataset: Dataset, batch_size: int = 256):
-#     class DataClass(pl.LightningModule):
-#         datamodule = GeneralDataModule(dataset, batch_size)
-#         datashape = dataset[0][0].shape
-#         example_input_array = torch.zeros_like(dataset[0][0]).unsqueeze(0)
-
-#         def __init__(self, *args: Any, **kwargs: Any) -> None:
-#             prototype_initializer = kwargs.pop(
-#                 "prototype_initializer",
-#                 pt.components.Zeros(self.datashape),
-#             )
-#             super().__init__(*args,
-#                              prototype_initializer=prototype_initializer,
-#                              **kwargs)
-
-#     return DataClass
-
-# if __name__ == "__main__":
-#     from prototorch.models import GLVQ
-
-#     demo_dataset = pt.datasets.Iris()
-
-#     TrainingClass: Type = train_on_dataset(demo_dataset)
-
-#     class DemoGLVQ(TrainingClass, GLVQ):
-#         """Model Definition."""
-
-#     # Hyperparameters
-#     hparams = dict(
-#         distribution={
-#             "num_classes": 3,
-#             "prototypes_per_class": 4
-#         },
-#         lr=0.01,
-#     )
-
-#     initialized = DemoGLVQ(hparams)
-#     print(initialized)

prototorch/models/extras.py

@@ -5,8 +5,7 @@ Modules not yet available in prototorch go here temporarily.
 """
 
 import torch
-
+from prototorch.core.similarities import gaussian
-from ..core.similarities import gaussian
 
 
 def rank_scaled_gaussian(distances, lambd):

prototorch/models/glvq.py

@@ -1,15 +1,16 @@
 """Models based on the GLVQ framework."""
 
 import torch
+from prototorch.core.competitions import wtac
+from prototorch.core.distances import lomega_distance, omega_distance, squared_euclidean_distance
+from prototorch.core.initializers import EyeTransformInitializer
+from prototorch.core.losses import GLVQLoss, lvq1_loss, lvq21_loss
+from prototorch.core.transforms import LinearTransform
+from prototorch.nn.wrappers import LambdaLayer, LossLayer
 from torch.nn.parameter import Parameter
 
-from ..core.competitions import wtac
+from .abstract import SupervisedPrototypeModel
-from ..core.distances import lomega_distance, omega_distance, squared_euclidean_distance
+from .mixin import ImagePrototypesMixin
-from ..core.initializers import EyeTransformInitializer
-from ..core.losses import GLVQLoss, lvq1_loss, lvq21_loss
-from ..core.transforms import LinearTransform
-from ..nn.wrappers import LambdaLayer, LossLayer
-from .abstract import ImagePrototypesMixin, SupervisedPrototypeModel
 
 
 class GLVQ(SupervisedPrototypeModel):
@@ -130,7 +131,7 @@ class SiameseGLVQ(GLVQ):
 
     def compute_distances(self, x):
         protos, _ = self.proto_layer()
-        x, protos = [arr.view(arr.size(0), -1) for arr in (x, protos)]
+        x, protos = (arr.view(arr.size(0), -1) for arr in (x, protos))
         latent_x = self.backbone(x)
         self.backbone.requires_grad_(self.both_path_gradients)
         latent_protos = self.backbone(protos)
@@ -251,6 +252,12 @@ class GMLVQ(GLVQ):
     def omega_matrix(self):
         return self._omega.detach().cpu()
 
+    @property
+    def lambda_matrix(self):
+        omega = self._omega.detach()  # (input_dim, latent_dim)
+        lam = omega @ omega.T
+        return lam.detach().cpu()
+
     def compute_distances(self, x):
         protos, _ = self.proto_layer()
         distances = self.distance_layer(x, protos, self._omega)

prototorch/models/knn.py

@@ -2,10 +2,11 @@
 
 import warnings
 
-from ..core.competitions import KNNC
+from prototorch.core.competitions import KNNC
-from ..core.components import LabeledComponents
+from prototorch.core.components import LabeledComponents
-from ..core.initializers import LiteralCompInitializer, LiteralLabelsInitializer
+from prototorch.core.initializers import LiteralCompInitializer, LiteralLabelsInitializer
-from ..utils.utils import parse_data_arg
+from prototorch.utils.utils import parse_data_arg
+
 from .abstract import SupervisedPrototypeModel
 
 

prototorch/models/lvq.py

@@ -1,10 +1,11 @@
 """LVQ models that are optimized using non-gradient methods."""
 
-from ..core.losses import _get_dp_dm
+from prototorch.core.losses import _get_dp_dm
-from ..nn.activations import get_activation
+from prototorch.nn.activations import get_activation
-from ..nn.wrappers import LambdaLayer
+from prototorch.nn.wrappers import LambdaLayer
-from .abstract import NonGradientMixin
+
 from .glvq import GLVQ
+from .mixin import NonGradientMixin
 
 
 class LVQ1(NonGradientMixin, GLVQ):

prototorch/models/mixin.py

@@ -0,0 +1,27 @@
+class ProtoTorchMixin:
+    """All mixins are ProtoTorchMixins."""
+    pass
+
+
+class NonGradientMixin(ProtoTorchMixin):
+    """Mixin for custom non-gradient optimization."""
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
+        self.automatic_optimization = False
+
+    def training_step(self, train_batch, batch_idx, optimizer_idx=None):
+        raise NotImplementedError
+
+
+class ImagePrototypesMixin(ProtoTorchMixin):
+    """Mixin for models with image prototypes."""
+    def on_train_batch_end(self, outputs, batch, batch_idx, dataloader_idx):
+        """Constrain the components to the range [0, 1] by clamping after updates."""
+        self.proto_layer.components.data.clamp_(0.0, 1.0)
+
+    def get_prototype_grid(self, num_columns=2, return_channels_last=True):
+        from torchvision.utils import make_grid
+        grid = make_grid(self.components, nrow=num_columns)
+        if return_channels_last:
+            grid = grid.permute((1, 2, 0))
+        return grid.cpu()

prototorch/models/probabilistic.py

@@ -1,10 +1,10 @@
 """Probabilistic GLVQ methods"""
 
 import torch
+from prototorch.core.losses import nllr_loss, rslvq_loss
+from prototorch.core.pooling import stratified_min_pooling, stratified_sum_pooling
+from prototorch.nn.wrappers import LambdaLayer, LossLayer
 
-from ..core.losses import nllr_loss, rslvq_loss
-from ..core.pooling import stratified_min_pooling, stratified_sum_pooling
-from ..nn.wrappers import LambdaLayer, LossLayer
 from .extras import GaussianPrior, RankScaledGaussianPrior
 from .glvq import GLVQ, SiameseGMLVQ
 

prototorch/models/unsupervised.py

@@ -2,14 +2,15 @@
 
 import numpy as np
 import torch
+from prototorch.core.competitions import wtac
+from prototorch.core.distances import squared_euclidean_distance
+from prototorch.core.losses import NeuralGasEnergy
+from prototorch.nn.wrappers import LambdaLayer
 
-from ..core.competitions import wtac
+from .abstract import UnsupervisedPrototypeModel
-from ..core.distances import squared_euclidean_distance
-from ..core.losses import NeuralGasEnergy
-from ..nn.wrappers import LambdaLayer
-from .abstract import NonGradientMixin, UnsupervisedPrototypeModel
 from .callbacks import GNGCallback
 from .extras import ConnectionTopology
+from .mixin import NonGradientMixin
 
 
 class KohonenSOM(NonGradientMixin, UnsupervisedPrototypeModel):

prototorch/models/vis.py

@@ -5,15 +5,18 @@ import pytorch_lightning as pl
 import torch
 import torchvision
 from matplotlib import pyplot as plt
+from prototorch.utils.utils import generate_mesh, mesh2d
 from torch.utils.data import DataLoader, Dataset
 
-from ..utils.utils import mesh2d
+COLOR_UNLABELED = 'w'
 
 
 class Vis2DAbstract(pl.Callback):
     def __init__(self,
                  data,
-                 title="Prototype Visualization",
+                 title=None,
+                 x_label=None,
+                 y_label=None,
                  cmap="viridis",
                  border=0.1,
                  resolution=100,
@@ -45,6 +48,8 @@ class Vis2DAbstract(pl.Callback):
         self.y_train = y
 
         self.title = title
+        self.x_label = x_label
+        self.y_label = y_label
         self.fig = plt.figure(self.title)
         self.cmap = cmap
         self.border = border
@@ -57,20 +62,19 @@ class Vis2DAbstract(pl.Callback):
         self.pause_time = pause_time
         self.block = block
 
-    def precheck(self, trainer):
+    def show_on_current_epoch(self, trainer):
-        if self.show_last_only:
+        if self.show_last_only and trainer.current_epoch != trainer.max_epochs - 1:
-            if trainer.current_epoch != trainer.max_epochs - 1:
             return False
         return True
 
-    def setup_ax(self, xlabel=None, ylabel=None):
+    def setup_ax(self):
         ax = self.fig.gca()
         ax.cla()
         ax.set_title(self.title)
-        if xlabel:
+        if self.x_label:
-            ax.set_xlabel("Data dimension 1")
+            ax.set_xlabel(self.x_label)
-        if ylabel:
+        if self.x_label:
-            ax.set_ylabel("Data dimension 2")
+            ax.set_ylabel(self.y_label)
         if self.axis_off:
             ax.axis("off")
         return ax
@@ -117,25 +121,64 @@ class Vis2DAbstract(pl.Callback):
         plt.close()
 
 
-class VisGLVQ2D(Vis2DAbstract):
+class Visualize2DVoronoiCallback(Vis2DAbstract):
+    def __init__(self, data, **kwargs):
+        super().__init__(data, **kwargs)
+
+        self.data_min = torch.min(self.x_train, axis=0).values
+        self.data_max = torch.max(self.x_train, axis=0).values
+
+    def current_span(self, proto_values):
+        proto_min = torch.min(proto_values, axis=0).values
+        proto_max = torch.max(proto_values, axis=0).values
+
+        overall_min = torch.minimum(proto_min, self.data_min)
+        overall_max = torch.maximum(proto_max, self.data_max)
+
+        return overall_min, overall_max
+
+    def get_voronoi_diagram(self, min, max, model):
+        mesh_input, (xx, yy) = generate_mesh(
+            min,
+            max,
+            border=self.border,
+            resolution=self.resolution,
+            device=model.device,
+        )
+
+        y_pred = model.predict(mesh_input)
+        return xx, yy, y_pred.reshape(xx.shape)
+
     def on_epoch_end(self, trainer, pl_module):
-        if not self.precheck(trainer):
+        if not self.show_on_current_epoch(trainer):
             return True
 
-        protos = pl_module.prototypes
+        # Extract Prototypes
-        plabels = pl_module.prototype_labels
+        proto_values = pl_module.prototypes
-        x_train, y_train = self.x_train, self.y_train
+        if hasattr(pl_module, "prototype_labels"):
-        ax = self.setup_ax(xlabel="Data dimension 1",
+            proto_labels = pl_module.prototype_labels
-                           ylabel="Data dimension 2")
+        else:
-        self.plot_data(ax, x_train, y_train)
+            proto_labels = COLOR_UNLABELED
-        self.plot_protos(ax, protos, plabels)
+
-        x = np.vstack((x_train, protos))
+        # Calculate Voronoi Diagram
-        mesh_input, xx, yy = mesh2d(x, self.border, self.resolution)
+        overall_min, overall_max = self.current_span(proto_values)
-        _components = pl_module.proto_layer._components
+        xx, yy, y_pred = self.get_voronoi_diagram(
-        mesh_input = torch.from_numpy(mesh_input).type_as(_components)
+            overall_min,
-        y_pred = pl_module.predict(mesh_input)
+            overall_max,
-        y_pred = y_pred.cpu().reshape(xx.shape)
+            pl_module,
-        ax.contourf(xx, yy, y_pred, cmap=self.cmap, alpha=0.35)
+        )
+
+        ax = self.setup_ax()
+        ax.contourf(
+            xx.cpu(),
+            yy.cpu(),
+            y_pred.cpu(),
+            cmap=self.cmap,
+            alpha=0.35,
+        )
+
+        self.plot_data(ax, self.x_train, self.y_train)
+        self.plot_protos(ax, proto_values, proto_labels)
 
         self.log_and_display(trainer, pl_module)
 
@@ -146,7 +189,7 @@ class VisSiameseGLVQ2D(Vis2DAbstract):
         self.map_protos = map_protos
 
     def on_epoch_end(self, trainer, pl_module):
-        if not self.precheck(trainer):
+        if not self.show_on_current_epoch(trainer):
             return True
 
         protos = pl_module.prototypes
@@ -178,40 +221,49 @@ class VisSiameseGLVQ2D(Vis2DAbstract):
         self.log_and_display(trainer, pl_module)
 
 
-class VisCBC2D(Vis2DAbstract):
+class VisGMLVQ2D(Vis2DAbstract):
+    def __init__(self, *args, ev_proj=True, **kwargs):
+        super().__init__(*args, **kwargs)
+        self.ev_proj = ev_proj
+
     def on_epoch_end(self, trainer, pl_module):
-        if not self.precheck(trainer):
+        if not self.show_on_current_epoch(trainer):
             return True
 
+        protos = pl_module.prototypes
+        plabels = pl_module.prototype_labels
         x_train, y_train = self.x_train, self.y_train
-        protos = pl_module.components
+        device = pl_module.device
-        ax = self.setup_ax(xlabel="Data dimension 1",
+        omega = pl_module._omega.detach()
-                           ylabel="Data dimension 2")
+        lam = omega @ omega.T
+        u, _, _ = torch.pca_lowrank(lam, q=2)
+        with torch.no_grad():
+            x_train = torch.Tensor(x_train).to(device)
+            x_train = x_train @ u
+            x_train = x_train.cpu().detach()
+        if self.show_protos:
+            with torch.no_grad():
+                protos = torch.Tensor(protos).to(device)
+                protos = protos @ u
+                protos = protos.cpu().detach()
+        ax = self.setup_ax()
         self.plot_data(ax, x_train, y_train)
-        self.plot_protos(ax, protos, "w")
+        if self.show_protos:
-        x = np.vstack((x_train, protos))
+            self.plot_protos(ax, protos, plabels)
-        mesh_input, xx, yy = mesh2d(x, self.border, self.resolution)
-        _components = pl_module.components_layer._components
-        y_pred = pl_module.predict(
-            torch.Tensor(mesh_input).type_as(_components))
-        y_pred = y_pred.cpu().reshape(xx.shape)
-
-        ax.contourf(xx, yy, y_pred, cmap=self.cmap, alpha=0.35)
 
         self.log_and_display(trainer, pl_module)
 
 
 class VisNG2D(Vis2DAbstract):
     def on_epoch_end(self, trainer, pl_module):
-        if not self.precheck(trainer):
+        if not self.show_on_current_epoch(trainer):
             return True
 
         x_train, y_train = self.x_train, self.y_train
         protos = pl_module.prototypes
         cmat = pl_module.topology_layer.cmat.cpu().numpy()
 
-        ax = self.setup_ax(xlabel="Data dimension 1",
+        ax = self.setup_ax()
-                           ylabel="Data dimension 2")
         self.plot_data(ax, x_train, y_train)
         self.plot_protos(ax, protos, "w")
 
@@ -282,7 +334,7 @@ class VisImgComp(Vis2DAbstract):
         )
 
     def on_epoch_end(self, trainer, pl_module):
-        if not self.precheck(trainer):
+        if not self.show_on_current_epoch(trainer):
             return True
 
         if self.show:

setup.py

@@ -18,7 +18,7 @@ PLUGIN_NAME = "models"
 PROJECT_URL = "https://github.com/si-cim/prototorch_models"
 DOWNLOAD_URL = "https://github.com/si-cim/prototorch_models.git"
 
-with open("README.md", "r") as fh:
+with open("README.md") as fh:
     long_description = fh.read()
 
 INSTALL_REQUIRES = [
@@ -37,6 +37,7 @@ DOCS = [
     "recommonmark",
     "sphinx",
     "nbsphinx",
+    "ipykernel",
     "sphinx_rtd_theme",
     "sphinxcontrib-katex",
     "sphinxcontrib-bibtex",
@@ -46,7 +47,7 @@ EXAMPLES = [
     "scikit-learn",
 ]
 TESTS = [
-    "pytest-cov",
+    "codecov",
     "pytest",
 ]
 ALL = CLI + DEV + DOCS + EXAMPLES + TESTS