build: bump version 1.0.0a1 → 1.0.0a2

.bumpversion.cfg

@@ -1,9 +1,11 @@
 [bumpversion]
-current_version = 0.5.2
+current_version = 1.0.0a2
 commit = True
 tag = True
-parse = (?P<major>\d+)\.(?P<minor>\d+)\.(?P<patch>\d+)
-serialize = {major}.{minor}.{patch}
+parse = (?P<major>\d+)\.(?P<minor>\d+)\.(?P<patch>\d+)((?P<release>[a-zA-Z0-9_.-]+))?
+serialize = 
+	{major}.{minor}.{patch}-{release}
+	{major}.{minor}.{patch}
 message = build: bump version {current_version} → {new_version}
 
 [bumpversion:file:setup.py]

.pre-commit-config.yaml

@@ -6,6 +6,7 @@ repos:
   rev: v4.2.0
   hooks:
   - id: trailing-whitespace
+    exclude: (^\.bumpversion\.cfg$|cli_messages\.py)
   - id: end-of-file-fixer
   - id: check-yaml
   - id: check-added-large-files

docs/source/conf.py

@@ -23,7 +23,7 @@ author = "Jensun Ravichandran"
 
 # The full version, including alpha/beta/rc tags
 #
-release = "0.5.2"
+release = "1.0.0-a2"
 
 # -- General configuration ---------------------------------------------------
 

examples/y_architecture_example.py

@@ -0,0 +1,88 @@
+import prototorch as pt
+import pytorch_lightning as pl
+import torchmetrics
+from prototorch.core import SMCI
+from prototorch.y.callbacks import (
+    LogTorchmetricCallback,
+    PlotLambdaMatrixToTensorboard,
+    VisGMLVQ2D,
+)
+from prototorch.y.library.gmlvq import GMLVQ
+from pytorch_lightning.callbacks import EarlyStopping
+from torch.utils.data import DataLoader
+
+# ##############################################################################
+
+if __name__ == "__main__":
+
+    # ------------------------------------------------------------
+    # DATA
+    # ------------------------------------------------------------
+
+    # Dataset
+    train_ds = pt.datasets.Iris()
+
+    # Dataloader
+    train_loader = DataLoader(
+        train_ds,
+        batch_size=32,
+        num_workers=0,
+        shuffle=True,
+    )
+
+    # ------------------------------------------------------------
+    # HYPERPARAMETERS
+    # ------------------------------------------------------------
+
+    # Select Initializer
+    components_initializer = SMCI(train_ds)
+
+    # Define Hyperparameters
+    hyperparameters = GMLVQ.HyperParameters(
+        lr=dict(components_layer=0.1, _omega=0),
+        input_dim=4,
+        distribution=dict(
+            num_classes=3,
+            per_class=1,
+        ),
+        component_initializer=components_initializer,
+    )
+
+    # Create Model
+    model = GMLVQ(hyperparameters)
+
+    print(model)
+
+    # ------------------------------------------------------------
+    # TRAINING
+    # ------------------------------------------------------------
+
+    # Controlling Callbacks
+    stopping_criterion = LogTorchmetricCallback(
+        'recall',
+        torchmetrics.Recall,
+        num_classes=3,
+    )
+
+    es = EarlyStopping(
+        monitor=stopping_criterion.name,
+        mode="max",
+        patience=10,
+    )
+
+    # Visualization Callback
+    vis = VisGMLVQ2D(data=train_ds)
+
+    # Define trainer
+    trainer = pl.Trainer(
+        callbacks=[
+            vis,
+            stopping_criterion,
+            es,
+            PlotLambdaMatrixToTensorboard(),
+        ],
+        max_epochs=1000,
+    )
+
+    # Train
+    trainer.fit(model, train_loader)

prototorch/models/__init__.py

@@ -36,4 +36,4 @@ from .unsupervised import (
 )
 from .vis import *
 
-__version__ = "0.5.2"
+__version__ = "1.0.0-a2"

prototorch/models/abstract.py

@@ -22,7 +22,16 @@ from prototorch.nn.wrappers import LambdaLayer
 
 
 class ProtoTorchBolt(pl.LightningModule):
-    """All ProtoTorch models are ProtoTorch Bolts."""
+    """All ProtoTorch models are ProtoTorch Bolts.
+
+    hparams:
+        - lr: learning rate
+
+    kwargs:
+        - optimizer: optimizer class
+        - lr_scheduler: learning rate scheduler class
+        - lr_scheduler_kwargs: learning rate scheduler kwargs
+    """
 
     def __init__(self, hparams, **kwargs):
         super().__init__()
@@ -65,6 +74,11 @@ class ProtoTorchBolt(pl.LightningModule):
 
 
 class PrototypeModel(ProtoTorchBolt):
+    """Abstract Prototype Model
+
+    kwargs:
+        - distance_fn: distance function
+    """
     proto_layer: AbstractComponents
 
     def __init__(self, hparams, **kwargs):
@@ -203,35 +217,3 @@ class SupervisedPrototypeModel(PrototypeModel):
         accuracy = torchmetrics.functional.accuracy(preds.int(), targets.int())
 
         self.log("test_acc", accuracy)
-
-
-class ProtoTorchMixin(object):
-    """All mixins are ProtoTorchMixins."""
-
-
-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."""
-    proto_layer: Components
-    components: torch.Tensor
-
-    def on_train_batch_end(self, outputs, batch, batch_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

@@ -40,8 +40,8 @@ class PruneLoserPrototypes(pl.Callback):
             return None
 
         ratios = pl_module.prototype_win_ratios.mean(dim=0)
-        to_prune = torch.arange(len(ratios))[ratios < self.threshold]
-        to_prune = to_prune.tolist()
+        to_prune_tensor = torch.arange(len(ratios))[ratios < self.threshold]
+        to_prune = to_prune_tensor.tolist()
         prune_labels = pl_module.prototype_labels[to_prune]
         if self.prune_quota_per_epoch > 0:
             to_prune = to_prune[:self.prune_quota_per_epoch]

prototorch/models/cbc.py

@@ -1,4 +1,5 @@
 import torch
+import torch.nn.functional as F
 import torchmetrics
 from prototorch.core.competitions import CBCC
 from prototorch.core.components import ReasoningComponents
@@ -7,12 +8,13 @@ from prototorch.core.losses import MarginLoss
 from prototorch.core.similarities import euclidean_similarity
 from prototorch.nn.wrappers import LambdaLayer
 
-from .abstract import ImagePrototypesMixin
 from .glvq import SiameseGLVQ
+from .mixins import ImagePrototypesMixin
 
 
 class CBC(SiameseGLVQ):
     """Classification-By-Components."""
+    proto_layer: ReasoningComponents
 
     def __init__(self, hparams, **kwargs):
         super().__init__(hparams, skip_proto_layer=True, **kwargs)
@@ -22,7 +24,7 @@ class CBC(SiameseGLVQ):
         reasonings_initializer = kwargs.get("reasonings_initializer",
                                             RandomReasoningsInitializer())
         self.components_layer = ReasoningComponents(
-            self.hparams.distribution,
+            self.hparams["distribution"],
             components_initializer=components_initializer,
             reasonings_initializer=reasonings_initializer,
         )
@@ -32,7 +34,7 @@ class CBC(SiameseGLVQ):
         # Namespace hook
         self.proto_layer = self.components_layer
 
-        self.loss = MarginLoss(self.hparams.margin)
+        self.loss = MarginLoss(self.hparams["margin"])
 
     def forward(self, x):
         components, reasonings = self.components_layer()
@@ -48,7 +50,7 @@ class CBC(SiameseGLVQ):
         x, y = batch
         y_pred = self(x)
         num_classes = self.num_classes
-        y_true = torch.nn.functional.one_hot(y.long(), num_classes=num_classes)
+        y_true = F.one_hot(y.long(), num_classes=num_classes)
         loss = self.loss(y_pred, y_true).mean()
         return y_pred, loss
 

prototorch/models/glvq.py

@@ -17,8 +17,9 @@ from prototorch.core.transforms import LinearTransform
 from prototorch.nn.wrappers import LambdaLayer, LossLayer
 from torch.nn.parameter import Parameter
 
-from .abstract import ImagePrototypesMixin, SupervisedPrototypeModel
+from .abstract import SupervisedPrototypeModel
 from .extras import ltangent_distance, orthogonalization
+from .mixins import ImagePrototypesMixin
 
 
 class GLVQ(SupervisedPrototypeModel):
@@ -46,19 +47,24 @@ class GLVQ(SupervisedPrototypeModel):
     def initialize_prototype_win_ratios(self):
         self.register_buffer(
             "prototype_win_ratios",
-            torch.zeros(self.num_prototypes, device=self.device))
+            torch.zeros(self.num_prototypes, device=self.device),
+        )
 
     def on_train_epoch_start(self):
         self.initialize_prototype_win_ratios()
 
     def log_prototype_win_ratios(self, distances):
         batch_size = len(distances)
-        prototype_wc = torch.zeros(self.num_prototypes,
+        prototype_wc = torch.zeros(
+            self.num_prototypes,
             dtype=torch.long,
-                                   device=self.device)
-        wi, wc = torch.unique(distances.min(dim=-1).indices,
+            device=self.device,
+        )
+        wi, wc = torch.unique(
+            distances.min(dim=-1).indices,
             sorted=True,
-                              return_counts=True)
+            return_counts=True,
+        )
         prototype_wc[wi] = wc
         prototype_wr = prototype_wc / batch_size
         self.prototype_win_ratios = torch.vstack([
@@ -81,14 +87,12 @@ class GLVQ(SupervisedPrototypeModel):
         return train_loss
 
     def validation_step(self, batch, batch_idx):
-        # `model.eval()` and `torch.no_grad()` handled by pl
         out, val_loss = self.shared_step(batch, batch_idx)
         self.log("val_loss", val_loss)
         self.log_acc(out, batch[-1], tag="val_acc")
         return val_loss
 
     def test_step(self, batch, batch_idx):
-        # `model.eval()` and `torch.no_grad()` handled by pl
         out, test_loss = self.shared_step(batch, batch_idx)
         self.log_acc(out, batch[-1], tag="test_acc")
         return test_loss
@@ -99,10 +103,6 @@ class GLVQ(SupervisedPrototypeModel):
             test_loss += batch_loss.item()
         self.log("test_loss", test_loss)
 
-    # TODO
-    # def predict_step(self, batch, batch_idx, dataloader_idx=None):
-    #     pass
-
 
 class SiameseGLVQ(GLVQ):
     """GLVQ in a Siamese setting.
@@ -113,19 +113,23 @@ class SiameseGLVQ(GLVQ):
 
     """
 
-    def __init__(self,
+    def __init__(
+            self,
             hparams,
             backbone=torch.nn.Identity(),
             both_path_gradients=False,
-                 **kwargs):
+            **kwargs,
+    ):
         distance_fn = kwargs.pop("distance_fn", squared_euclidean_distance)
         super().__init__(hparams, distance_fn=distance_fn, **kwargs)
         self.backbone = backbone
         self.both_path_gradients = both_path_gradients
 
     def configure_optimizers(self):
-        proto_opt = self.optimizer(self.proto_layer.parameters(),
-                                   lr=self.hparams["proto_lr"])
+        proto_opt = self.optimizer(
+            self.proto_layer.parameters(),
+            lr=self.hparams["proto_lr"],
+        )
         # Only add a backbone optimizer if backbone has trainable parameters
         bb_params = list(self.backbone.parameters())
         if (bb_params):
@@ -266,13 +270,19 @@ class GMLVQ(GLVQ):
         super().__init__(hparams, distance_fn=distance_fn, **kwargs)
 
         # Additional parameters
-        omega_initializer = kwargs.get("omega_initializer",
-                                       EyeLinearTransformInitializer())
-        omega = omega_initializer.generate(self.hparams["input_dim"],
-                                           self.hparams["latent_dim"])
+        omega_initializer = kwargs.get(
+            "omega_initializer",
+            EyeLinearTransformInitializer(),
+        )
+        omega = omega_initializer.generate(
+            self.hparams["input_dim"],
+            self.hparams["latent_dim"],
+        )
         self.register_parameter("_omega", Parameter(omega))
-        self.backbone = LambdaLayer(lambda x: x @ self._omega,
-                                    name="omega matrix")
+        self.backbone = LambdaLayer(
+            lambda x: x @ self._omega,
+            name="omega matrix",
+        )
 
     @property
     def omega_matrix(self):

prototorch/models/lvq.py

@@ -1,20 +1,21 @@
 """LVQ models that are optimized using non-gradient methods."""
 
 import logging
+from collections import OrderedDict
 
 from prototorch.core.losses import _get_dp_dm
 from prototorch.nn.activations import get_activation
 from prototorch.nn.wrappers import LambdaLayer
 
-from .abstract import NonGradientMixin
 from .glvq import GLVQ
+from .mixins import NonGradientMixin
 
 
 class LVQ1(NonGradientMixin, GLVQ):
     """Learning Vector Quantization 1."""
 
     def training_step(self, train_batch, batch_idx, optimizer_idx=None):
-        protos, plables = self.proto_layer()
+        protos, plabels = self.proto_layer()
         x, y = train_batch
         dis = self.compute_distances(x)
         # TODO Vectorized implementation
@@ -28,9 +29,11 @@ class LVQ1(NonGradientMixin, GLVQ):
             else:
                 shift = protos[w] - xi
             updated_protos = protos + 0.0
-            updated_protos[w] = protos[w] + (self.hparams.lr * shift)
-            self.proto_layer.load_state_dict({"_components": updated_protos},
-                                             strict=False)
+            updated_protos[w] = protos[w] + (self.hparams["lr"] * shift)
+            self.proto_layer.load_state_dict(
+                OrderedDict(_components=updated_protos),
+                strict=False,
+            )
 
         logging.debug(f"dis={dis}")
         logging.debug(f"y={y}")
@@ -58,10 +61,12 @@ class LVQ21(NonGradientMixin, GLVQ):
             shiftp = xi - protos[wp]
             shiftn = protos[wn] - xi
             updated_protos = protos + 0.0
-            updated_protos[wp] = protos[wp] + (self.hparams.lr * shiftp)
-            updated_protos[wn] = protos[wn] + (self.hparams.lr * shiftn)
-            self.proto_layer.load_state_dict({"_components": updated_protos},
-                                             strict=False)
+            updated_protos[wp] = protos[wp] + (self.hparams["lr"] * shiftp)
+            updated_protos[wn] = protos[wn] + (self.hparams["lr"] * shiftn)
+            self.proto_layer.load_state_dict(
+                OrderedDict(_components=updated_protos),
+                strict=False,
+            )
 
         # Logging
         self.log_acc(dis, y, tag="train_acc")
@@ -80,14 +85,17 @@ class MedianLVQ(NonGradientMixin, GLVQ):
         super().__init__(hparams, **kwargs)
 
         self.transfer_layer = LambdaLayer(
-            get_activation(self.hparams.transfer_fn))
+            get_activation(self.hparams["transfer_fn"]))
 
     def _f(self, x, y, protos, plabels):
         d = self.distance_layer(x, protos)
-        dp, dm = _get_dp_dm(d, y, plabels)
+        dp, dm = _get_dp_dm(d, y, plabels, with_indices=False)
         mu = (dp - dm) / (dp + dm)
-        invmu = -1.0 * mu
-        f = self.transfer_layer(invmu, beta=self.hparams.transfer_beta) + 1.0
+        negative_mu = -1.0 * mu
+        f = self.transfer_layer(
+            negative_mu,
+            beta=self.hparams["transfer_beta"],
+        ) + 1.0
         return f
 
     def expectation(self, x, y, protos, plabels):
@@ -118,8 +126,10 @@ class MedianLVQ(NonGradientMixin, GLVQ):
                 _lower_bound = self.lower_bound(x, y, _protos, plabels, gamma)
                 if _lower_bound > lower_bound:
                     logging.debug(f"Updating prototype {i} to data {k}...")
-                    self.proto_layer.load_state_dict({"_components": _protos},
-                                                     strict=False)
+                    self.proto_layer.load_state_dict(
+                        OrderedDict(_components=_protos),
+                        strict=False,
+                    )
                     break
 
         # Logging

prototorch/models/mixins.py

@@ -0,0 +1,35 @@
+import pytorch_lightning as pl
+import torch
+from prototorch.core.components import Components
+
+
+class ProtoTorchMixin(pl.LightningModule):
+    """All mixins are ProtoTorchMixins."""
+
+
+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."""
+    proto_layer: Components
+    components: torch.Tensor
+
+    def on_train_batch_end(self, outputs, batch, batch_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/unsupervised.py

@@ -6,9 +6,10 @@ from prototorch.core.competitions import wtac
 from prototorch.core.distances import squared_euclidean_distance
 from prototorch.core.losses import NeuralGasEnergy
 
-from .abstract import NonGradientMixin, UnsupervisedPrototypeModel
+from .abstract import UnsupervisedPrototypeModel
 from .callbacks import GNGCallback
 from .extras import ConnectionTopology
+from .mixins import NonGradientMixin
 
 
 class KohonenSOM(NonGradientMixin, UnsupervisedPrototypeModel):

prototorch/models/vis.py

@@ -1,5 +1,6 @@
 """Visualization Callbacks."""
 
+import os
 import warnings
 from typing import Sized
 
@@ -32,6 +33,10 @@ class Vis2DAbstract(pl.Callback):
                  tensorboard=False,
                  show_last_only=False,
                  pause_time=0.1,
+                 save=False,
+                 save_dir="./img",
+                 fig_size=(5, 4),
+                 dpi=500,
                  block=False):
         super().__init__()
 
@@ -75,8 +80,16 @@ class Vis2DAbstract(pl.Callback):
         self.tensorboard = tensorboard
         self.show_last_only = show_last_only
         self.pause_time = pause_time
+        self.save = save
+        self.save_dir = save_dir
+        self.fig_size = fig_size
+        self.dpi = dpi
         self.block = block
 
+        if save:
+            if not os.path.exists(save_dir):
+                os.makedirs(save_dir)
+
     def precheck(self, trainer):
         if self.show_last_only:
             if trainer.current_epoch != trainer.max_epochs - 1:
@@ -125,6 +138,11 @@ class Vis2DAbstract(pl.Callback):
     def log_and_display(self, trainer, pl_module):
         if self.tensorboard:
             self.add_to_tensorboard(trainer, pl_module)
+        if self.save:
+            plt.tight_layout()
+            self.fig.set_size_inches(*self.fig_size, forward=False)
+            plt.savefig(f"{self.save_dir}/{trainer.current_epoch}.png",
+                        dpi=self.dpi)
         if self.show:
             if not self.block:
                 plt.pause(self.pause_time)

prototorch/y/__init__.py

@@ -0,0 +1,23 @@
+from .architectures.base import BaseYArchitecture
+from .architectures.comparison import (
+    OmegaComparisonMixin,
+    SimpleComparisonMixin,
+)
+from .architectures.competition import WTACompetitionMixin
+from .architectures.components import SupervisedArchitecture
+from .architectures.loss import GLVQLossMixin
+from .architectures.optimization import (
+    MultipleLearningRateMixin,
+    SingleLearningRateMixin,
+)
+
+__all__ = [
+    'BaseYArchitecture',
+    "OmegaComparisonMixin",
+    "SimpleComparisonMixin",
+    "SingleLearningRateMixin",
+    "MultipleLearningRateMixin",
+    "SupervisedArchitecture",
+    "WTACompetitionMixin",
+    "GLVQLossMixin",
+]

prototorch/y/architectures/base.py

@@ -0,0 +1,212 @@
+"""
+Proto Y Architecture
+
+Network architecture for Component based Learning.
+"""
+from dataclasses import dataclass
+from typing import (
+    Dict,
+    Set,
+    Type,
+)
+
+import pytorch_lightning as pl
+import torch
+from torchmetrics import Metric
+from torchmetrics.classification.accuracy import Accuracy
+
+
+class BaseYArchitecture(pl.LightningModule):
+
+    @dataclass
+    class HyperParameters:
+        ...
+
+    registered_metrics: Dict[Type[Metric], Metric] = {}
+    registered_metric_names: Dict[Type[Metric], Set[str]] = {}
+
+    components_layer: torch.nn.Module
+
+    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: Type[Metric],
+        **metric_kwargs,
+    ):
+        if metric not in self.registered_metrics:
+            self.registered_metrics[metric] = metric(**metric_kwargs)
+            self.registered_metric_names[metric] = {name}
+        else:
+            self.registered_metric_names[metric].add(name)
+
+    # external API
+    def get_competition(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_competition(batch, components)
+        # TODO: => Competition Hook
+        return self.inference(comparison_tensor, components)
+
+    def predict(self, batch):
+        """
+        Alias for forward
+        """
+        return self.forward(batch)
+
+    def forward_comparison(self, batch):
+        if isinstance(batch, torch.Tensor):
+            batch = (batch, None)
+        # TODO: manage different datatypes?
+        components = self.components_layer()
+        # TODO: => Component Hook
+        return self.get_competition(batch, components)
+
+    def loss_forward(self, batch):
+        # TODO: manage different datatypes?
+        components = self.components_layer()
+        # TODO: => Component Hook
+        comparison_tensor = self.get_competition(batch, components)
+        # TODO: => Competition Hook
+        return self.loss(comparison_tensor, batch, components)
+
+    # Empty Initialization
+    # TODO: Type hints
+    # TODO: Docs
+    def init_components(self, hparams: HyperParameters) -> None:
+        ...
+
+    def init_latent(self, hparams: HyperParameters) -> None:
+        ...
+
+    def init_comparison(self, hparams: HyperParameters) -> None:
+        ...
+
+    def init_competition(self, hparams: HyperParameters) -> None:
+        ...
+
+    def init_loss(self, hparams: HyperParameters) -> None:
+        ...
+
+    def init_inference(self, hparams: HyperParameters) -> None:
+        ...
+
+    def init_model_metrics(self) -> None:
+        self.register_torchmetric('accuracy', 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 component set 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, comparison_measures, 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, comparison_measures, 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, comparison_measures, 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
+
+        # Prediction Metrics
+        preds = self(x)
+        for metric in self.registered_metrics:
+            instance = self.registered_metrics[metric].to(self.device)
+            instance(y, preds)
+
+    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)
+
+            instance.reset()
+
+    # Lightning Hooks
+    def training_step(self, batch, batch_idx, optimizer_idx=None):
+        self.update_metrics_step(batch)
+
+        return self.loss_forward(batch)
+
+    def training_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/y/architectures/comparison.py

@@ -0,0 +1,112 @@
+from __future__ import annotations
+
+from dataclasses import dataclass, field
+from typing import Callable, Dict
+
+import torch
+from prototorch.core.distances import euclidean_distance
+from prototorch.core.initializers import (
+    AbstractLinearTransformInitializer,
+    EyeLinearTransformInitializer,
+)
+from prototorch.nn.wrappers import LambdaLayer
+from prototorch.y.architectures.base import BaseYArchitecture
+from torch import Tensor
+from torch.nn.parameter import Parameter
+
+
+class SimpleComparisonMixin(BaseYArchitecture):
+    """
+    Simple Comparison
+
+    A comparison layer that only uses the positions of the components and the batch for dissimilarity computation.
+    """
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(BaseYArchitecture.HyperParameters):
+        """
+        comparison_fn: The comparison / dissimilarity function to use. Default: euclidean_distance.
+        comparison_args: Keyword arguments for the comparison function. Default: {}.
+        """
+        comparison_fn: Callable = euclidean_distance
+        comparison_args: dict = field(default_factory=lambda: dict())
+
+        comparison_parameters: dict = field(default_factory=lambda: dict())
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def init_comparison(self, hparams: HyperParameters):
+        self.comparison_layer = LambdaLayer(
+            fn=hparams.comparison_fn,
+            **hparams.comparison_args,
+        )
+
+        self.comparison_kwargs: dict[str, Tensor] = dict()
+
+    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,
+            **self.comparison_kwargs,
+        )
+
+        return distances
+
+
+class OmegaComparisonMixin(SimpleComparisonMixin):
+    """
+    Omega Comparison
+
+    A comparison layer that uses the positions of the components and the batch for dissimilarity computation.
+    """
+
+    _omega: torch.Tensor
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(SimpleComparisonMixin.HyperParameters):
+        """
+        input_dim: Necessary Field: The dimensionality of the input.
+        latent_dim: The dimensionality of the latent space. Default: 2.
+        omega_initializer: The initializer to use for the omega matrix. Default: EyeLinearTransformInitializer.
+        """
+        input_dim: int | None = None
+        latent_dim: int = 2
+        omega_initializer: type[
+            AbstractLinearTransformInitializer] = EyeLinearTransformInitializer
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def init_comparison(self, hparams: HyperParameters) -> None:
+        super().init_comparison(hparams)
+
+        # Initialize the omega matrix
+        if hparams.input_dim is None:
+            raise ValueError("input_dim must be specified.")
+        else:
+            omega = hparams.omega_initializer().generate(
+                hparams.input_dim,
+                hparams.latent_dim,
+            )
+            self.register_parameter("_omega", Parameter(omega))
+            self.comparison_kwargs = dict(omega=self._omega)
+
+    # Properties
+    # ----------------------------------------------------------------------------------------------------
+    @property
+    def omega_matrix(self):
+        return self._omega.detach().cpu()
+
+    @property
+    def lambda_matrix(self):
+        omega = self._omega.detach()
+        lam = omega @ omega.T
+        return lam.detach().cpu()

prototorch/y/architectures/competition.py

@@ -0,0 +1,29 @@
+from dataclasses import dataclass
+
+from prototorch.core.competitions import WTAC
+from prototorch.y.architectures.base import BaseYArchitecture
+
+
+class WTACompetitionMixin(BaseYArchitecture):
+    """
+    Winner Take All Competition
+
+    A competition layer that uses the winner-take-all strategy.
+    """
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(BaseYArchitecture.HyperParameters):
+        """
+        No hyperparameters.
+        """
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def init_inference(self, hparams: HyperParameters):
+        self.competition_layer = WTAC()
+
+    def inference(self, comparison_measures, components):
+        comp_labels = components[1]
+        return self.competition_layer(comparison_measures, comp_labels)

prototorch/y/architectures/components.py

@@ -0,0 +1,53 @@
+from dataclasses import dataclass
+
+from prototorch.core.components import LabeledComponents
+from prototorch.core.initializers import (
+    AbstractComponentsInitializer,
+    LabelsInitializer,
+)
+from prototorch.y import BaseYArchitecture
+
+
+class SupervisedArchitecture(BaseYArchitecture):
+    """
+    Supervised Architecture
+
+    An architecture that uses labeled Components as component Layer.
+    """
+    components_layer: LabeledComponents
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters:
+        """
+        distribution: A valid prototype distribution. No default possible.
+        components_initializer: An implementation of AbstractComponentsInitializer. No default possible.
+        """
+        distribution: "dict[str, int]"
+        component_initializer: AbstractComponentsInitializer
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def init_components(self, hparams: HyperParameters):
+        self.components_layer = LabeledComponents(
+            distribution=hparams.distribution,
+            components_initializer=hparams.component_initializer,
+            labels_initializer=LabelsInitializer(),
+        )
+
+    # Properties
+    # ----------------------------------------------------------------------------------------------------
+    @property
+    def prototypes(self):
+        """
+        Returns the position of the prototypes.
+        """
+        return self.components_layer.components.detach().cpu()
+
+    @property
+    def prototype_labels(self):
+        """
+        Returns the labels of the prototypes.
+        """
+        return self.components_layer.labels.detach().cpu()

prototorch/y/architectures/loss.py

@@ -0,0 +1,42 @@
+from dataclasses import dataclass, field
+
+from prototorch.core.losses import GLVQLoss
+from prototorch.y.architectures.base import BaseYArchitecture
+
+
+class GLVQLossMixin(BaseYArchitecture):
+    """
+    GLVQ Loss
+
+    A loss layer that uses the Generalized Learning Vector Quantization (GLVQ) loss.
+    """
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(BaseYArchitecture.HyperParameters):
+        """
+        margin: The margin of the GLVQ loss. Default: 0.0.
+        transfer_fn: Transfer function to use. Default: sigmoid_beta.
+        transfer_args: Keyword arguments for the transfer function. Default: {beta: 10.0}.
+        """
+        margin: float = 0.0
+
+        transfer_fn: str = "sigmoid_beta"
+        transfer_args: dict = field(default_factory=lambda: dict(beta=10.0))
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def init_loss(self, hparams: HyperParameters):
+        self.loss_layer = GLVQLoss(
+            margin=hparams.margin,
+            transfer_fn=hparams.transfer_fn,
+            **hparams.transfer_args,
+        )
+
+    def loss(self, comparison_measures, batch, components):
+        target = batch[1]
+        comp_labels = components[1]
+        loss = self.loss_layer(comparison_measures, target, comp_labels)
+        self.log('loss', loss)
+        return loss

prototorch/y/architectures/optimization.py

@@ -0,0 +1,86 @@
+from dataclasses import dataclass, field
+from typing import Type
+
+import torch
+from prototorch.y import BaseYArchitecture
+from torch.nn.parameter import Parameter
+
+
+class SingleLearningRateMixin(BaseYArchitecture):
+    """
+    Single Learning Rate
+
+    All parameters are updated with a single learning rate.
+    """
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(BaseYArchitecture.HyperParameters):
+        """
+        lr: The learning rate. Default: 0.1.
+        optimizer: The optimizer to use. Default: torch.optim.Adam.
+        """
+        lr: float = 0.1
+        optimizer: Type[torch.optim.Optimizer] = torch.optim.Adam
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def __init__(self, hparams: HyperParameters) -> None:
+        super().__init__(hparams)
+        self.lr = hparams.lr
+        self.optimizer = hparams.optimizer
+
+    # Hooks
+    # ----------------------------------------------------------------------------------------------------
+    def configure_optimizers(self):
+        return self.optimizer(self.parameters(), lr=self.lr)  # type: ignore
+
+
+class MultipleLearningRateMixin(BaseYArchitecture):
+    """
+    Multiple Learning Rates
+
+    Define Different Learning Rates for different parameters.
+    """
+
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(BaseYArchitecture.HyperParameters):
+        """
+        lr: The learning rate. Default: 0.1.
+        optimizer: The optimizer to use. Default: torch.optim.Adam.
+        """
+        lr: dict = field(default_factory=lambda: dict())
+        optimizer: Type[torch.optim.Optimizer] = torch.optim.Adam
+
+    # Steps
+    # ----------------------------------------------------------------------------------------------------
+    def __init__(self, hparams: HyperParameters) -> None:
+        super().__init__(hparams)
+        self.lr = hparams.lr
+        self.optimizer = hparams.optimizer
+
+    # Hooks
+    # ----------------------------------------------------------------------------------------------------
+    def configure_optimizers(self):
+        optimizers = []
+        for name, lr in self.lr.items():
+            if not hasattr(self, name):
+                raise ValueError(f"{name} is not a parameter of {self}")
+            else:
+                model_part = getattr(self, name)
+                if isinstance(model_part, Parameter):
+                    optimizers.append(
+                        self.optimizer(
+                            [model_part],
+                            lr=lr,  # type: ignore
+                        ))
+                elif hasattr(model_part, "parameters"):
+                    optimizers.append(
+                        self.optimizer(
+                            model_part.parameters(),
+                            lr=lr,  # type: ignore
+                        ))
+        return optimizers

prototorch/y/callbacks.py

@@ -0,0 +1,149 @@
+import warnings
+from typing import Optional, Type
+
+import numpy as np
+import pytorch_lightning as pl
+import torch
+import torchmetrics
+from matplotlib import pyplot as plt
+from prototorch.models.vis import Vis2DAbstract
+from prototorch.utils.utils import mesh2d
+from prototorch.y.architectures.base import BaseYArchitecture
+from prototorch.y.library.gmlvq import GMLVQ
+from pytorch_lightning.loggers import TensorBoardLogger
+
+DIVERGING_COLOR_MAPS = [
+    'PiYG', 'PRGn', 'BrBG', 'PuOr', 'RdGy', 'RdBu', 'RdYlBu', 'RdYlGn',
+    'Spectral', 'coolwarm', 'bwr', 'seismic'
+]
+
+
+class LogTorchmetricCallback(pl.Callback):
+
+    def __init__(
+        self,
+        name,
+        metric: Type[torchmetrics.Metric],
+        on="prediction",
+        **metric_kwargs,
+    ) -> None:
+        self.name = name
+        self.metric = metric
+        self.metric_kwargs = metric_kwargs
+        self.on = on
+
+    def setup(
+        self,
+        trainer: pl.Trainer,
+        pl_module: BaseYArchitecture,
+        stage: Optional[str] = None,
+    ) -> None:
+        if self.on == "prediction":
+            pl_module.register_torchmetric(
+                self.name,
+                self.metric,
+                **self.metric_kwargs,
+            )
+        else:
+            raise ValueError(f"{self.on} is no valid metric hook")
+
+
+class VisGLVQ2D(Vis2DAbstract):
+
+    def visualize(self, pl_module):
+        protos = pl_module.prototypes
+        plabels = pl_module.prototype_labels
+        x_train, y_train = self.x_train, self.y_train
+        ax = self.setup_ax()
+        self.plot_protos(ax, protos, plabels)
+        if x_train is not None:
+            self.plot_data(ax, x_train, y_train)
+            mesh_input, xx, yy = mesh2d(
+                np.vstack([x_train, protos]),
+                self.border,
+                self.resolution,
+            )
+        else:
+            mesh_input, xx, yy = mesh2d(protos, self.border, self.resolution)
+        _components = pl_module.components_layer.components
+        mesh_input = torch.from_numpy(mesh_input).type_as(_components)
+        y_pred = pl_module.predict(mesh_input)
+        y_pred = y_pred.cpu().reshape(xx.shape)
+        ax.contourf(xx, yy, y_pred, cmap=self.cmap, alpha=0.35)
+
+
+class VisGMLVQ2D(Vis2DAbstract):
+
+    def __init__(self, *args, ev_proj=True, **kwargs):
+        super().__init__(*args, **kwargs)
+        self.ev_proj = ev_proj
+
+    def visualize(self, pl_module):
+        protos = pl_module.prototypes
+        plabels = pl_module.prototype_labels
+        x_train, y_train = self.x_train, self.y_train
+        device = pl_module.device
+        omega = pl_module._omega.detach()
+        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)
+        if self.show_protos:
+            self.plot_protos(ax, protos, plabels)
+
+
+class PlotLambdaMatrixToTensorboard(pl.Callback):
+
+    def __init__(self, cmap='seismic') -> None:
+        super().__init__()
+        self.cmap = cmap
+
+        if self.cmap not in DIVERGING_COLOR_MAPS and type(self.cmap) is str:
+            warnings.warn(
+                f"{self.cmap} is not a diverging color map. We recommend to use one of the following: {DIVERGING_COLOR_MAPS}"
+            )
+
+    def on_train_start(self, trainer, pl_module: GMLVQ):
+        self.plot_lambda(trainer, pl_module)
+
+    def on_train_epoch_end(self, trainer, pl_module: GMLVQ):
+        self.plot_lambda(trainer, pl_module)
+
+    def plot_lambda(self, trainer, pl_module: GMLVQ):
+
+        self.fig, self.ax = plt.subplots(1, 1)
+
+        # plot lambda matrix
+        l_matrix = pl_module.lambda_matrix
+
+        # normalize lambda matrix
+        l_matrix = l_matrix / torch.max(torch.abs(l_matrix))
+
+        # plot lambda matrix
+        self.ax.imshow(l_matrix.detach().numpy(), self.cmap, vmin=-1, vmax=1)
+
+        self.fig.colorbar(self.ax.images[-1])
+
+        # add title
+        self.ax.set_title('Lambda Matrix')
+
+        # add to tensorboard
+        if isinstance(trainer.logger, TensorBoardLogger):
+            trainer.logger.experiment.add_figure(
+                f"lambda_matrix",
+                self.fig,
+                trainer.global_step,
+            )
+        else:
+            warnings.warn(
+                f"{self.__class__.__name__} is not compatible with {trainer.logger.__class__.__name__} as logger. Use TensorBoardLogger instead."
+            )

prototorch/y/library/__init__.py

@@ -0,0 +1,5 @@
+from .glvq import GLVQ
+
+__all__ = [
+    "GLVQ",
+]

prototorch/y/library/glvq.py

@@ -0,0 +1,35 @@
+from dataclasses import dataclass
+
+from prototorch.y import (
+    SimpleComparisonMixin,
+    SingleLearningRateMixin,
+    SupervisedArchitecture,
+    WTACompetitionMixin,
+)
+from prototorch.y.architectures.loss import GLVQLossMixin
+
+
+class GLVQ(
+        SupervisedArchitecture,
+        SimpleComparisonMixin,
+        GLVQLossMixin,
+        WTACompetitionMixin,
+        SingleLearningRateMixin,
+):
+    """
+    Generalized Learning Vector Quantization (GLVQ)
+
+    A GLVQ architecture that uses the winner-take-all strategy and the GLVQ loss.
+    """
+
+    @dataclass
+    class HyperParameters(
+            SimpleComparisonMixin.HyperParameters,
+            SingleLearningRateMixin.HyperParameters,
+            GLVQLossMixin.HyperParameters,
+            WTACompetitionMixin.HyperParameters,
+            SupervisedArchitecture.HyperParameters,
+    ):
+        """
+        No hyperparameters.
+        """

prototorch/y/library/gmlvq.py

@@ -0,0 +1,50 @@
+from __future__ import annotations
+
+from dataclasses import dataclass, field
+from typing import Callable
+
+import torch
+from prototorch.core.distances import omega_distance
+from prototorch.y import (
+    GLVQLossMixin,
+    MultipleLearningRateMixin,
+    OmegaComparisonMixin,
+    SupervisedArchitecture,
+    WTACompetitionMixin,
+)
+
+
+class GMLVQ(
+        SupervisedArchitecture,
+        OmegaComparisonMixin,
+        GLVQLossMixin,
+        WTACompetitionMixin,
+        MultipleLearningRateMixin,
+):
+    """
+    Generalized Matrix Learning Vector Quantization (GMLVQ)
+
+    A GMLVQ architecture that uses the winner-take-all strategy and the GLVQ loss.
+    """
+    # HyperParameters
+    # ----------------------------------------------------------------------------------------------------
+    @dataclass
+    class HyperParameters(
+            MultipleLearningRateMixin.HyperParameters,
+            OmegaComparisonMixin.HyperParameters,
+            GLVQLossMixin.HyperParameters,
+            WTACompetitionMixin.HyperParameters,
+            SupervisedArchitecture.HyperParameters,
+    ):
+        """
+        comparison_fn: The comparison / dissimilarity function to use. Override Default: omega_distance.
+        comparison_args: Keyword arguments for the comparison function. Override Default: {}.
+        """
+        comparison_fn: Callable = omega_distance
+        comparison_args: dict = field(default_factory=lambda: dict())
+        optimizer: type[torch.optim.Optimizer] = torch.optim.Adam
+
+        lr: dict = field(default_factory=lambda: dict(
+            components_layer=0.1,
+            _omega=0.5,
+        ))

setup.py

@@ -55,7 +55,7 @@ ALL = CLI + DEV + DOCS + EXAMPLES + TESTS
 
 setup(
     name=safe_name("prototorch_" + PLUGIN_NAME),
-    version="0.5.2",
+    version="1.0.0-a2",
     description="Pre-packaged prototype-based "
     "machine learning models using ProtoTorch and PyTorch-Lightning.",
     long_description=long_description,