Pytest unit tests, new losses support, and normalization enhancement

.github/ISSUE_TEMPLATE/generic_bug_report.yaml

@@ -58,7 +58,7 @@ body:
     description: |
       examples:
         - **OS**: linux
-        - **Python version**: 3.7
+        - **Python version**: 3.11
         - **Packages used version**: PyTorch, Numpy, scikit-learn, etc..
     value: |
         - OS:

.github/workflows/python-lints.yml

@@ -8,7 +8,7 @@ jobs:
     strategy:
       max-parallel: 4
       matrix:
-        python-version: [3.7, 3.8, 3.9]
+        python-version: [3.9, "3.10", 3.11]
 
     steps:
     - uses: actions/checkout@v1

.github/workflows/python-tests.yml

@@ -8,7 +8,13 @@ jobs:
     strategy:
       max-parallel: 4
       matrix:
-        python-version: [3.7, 3.8, 3.9]
+        include:
+          - python-version: 3.9
+            pt-version: 1.13.1
+          - python-version: "3.10"
+            pt-version: 2.1.2
+          - python-version: "3.11"
+            pt-version: 2.4.1
 
     steps:
     - uses: actions/checkout@v1
@@ -20,5 +26,5 @@ jobs:
       run: |
         python -m pip install --upgrade pip
         pip install tox
-    - name: Test with tox
-      run: tox -e py$(echo ${{ matrix.python-version }} | tr -d .)
+    - name: Test with tox (Python ${{ matrix.python-version }} - Torch ${{ matrix.pt-version }})
+      run: tox -e py$(echo ${{ matrix.python-version }} | tr -d .)-pt$(echo ${{ matrix.pt-version }})

.gitignore

@@ -10,7 +10,6 @@ __pycache__
 build/
 dist/
 
-.github/
 
 # Test files
 logs/*

MANIFEST.in

@@ -0,0 +1,2 @@
+include deel/torchlip/VERSION
+include LICENSE

deel/torchlip/VERSION

@@ -0,0 +1 @@
+0.2

deel/torchlip/__init__.py

@@ -26,7 +26,10 @@
 # =====================================================================================
 # flake8: noqa
 
-__version__ = "0.1.1"
+from os import path
+
+with open(path.join(path.dirname(__file__), "VERSION")) as f:
+    __version__ = f.read().strip()
 
 from . import functional, init, normalizers, utils
 from .modules import *
@@ -39,6 +42,7 @@
     "GroupSort2",
     "HKRLoss",
     "HKRMulticlassLoss",
+    "SoftHKRMulticlassLoss",
     "HingeMarginLoss",
     "HingeMulticlassLoss",
     "InvertibleDownSampling",

deel/torchlip/functional.py

@@ -278,12 +278,17 @@ def lipschitz_prelu(
 
 
 # Losses
+def apply_reduction(val: torch.Tensor, reduction: str) -> torch.Tensor:
+    if reduction == "auto":
+        reduction = "mean"
+    red = getattr(torch, reduction, None)
+    if red is None:
+        return val
+    return red(val)
 
 
 def kr_loss(
-    input: torch.Tensor,
-    target: torch.Tensor,
-    true_values: Tuple[int, int] = (0, 1),
+    input: torch.Tensor, target: torch.Tensor, multi_gpu=False, true_values=None
 ) -> torch.Tensor:
     r"""
     Loss to estimate the Wasserstein-1 distance using Kantorovich-Rubinstein duality,
@@ -300,21 +305,86 @@ def kr_loss(
     Args:
         input: Tensor of arbitrary shape.
         target: Tensor of the same shape as input.
-        true_values: Tuple containing the two label for the predicted class.
+        true_values: depreciated (target>0 is used)
+
+    Returns:
+        The Wasserstein-1 loss between ``input`` and ``target``.
+    """
+    if multi_gpu:
+        return kr_loss_multi_gpu(input, target)
+    else:
+        return kr_loss_standard(input, target)
+
+
+def kr_loss_standard(
+    input: torch.Tensor, target: torch.Tensor, true_values=None
+) -> torch.Tensor:
+    r"""
+    Loss to estimate the Wasserstein-1 distance using Kantorovich-Rubinstein duality,
+    as per
+
+    .. math::
+        \mathcal{W}(\mu, \nu) = \sup\limits_{f\in{}Lip_1(\Omega)}
+            \underset{\mathbf{x}\sim{}\mu}{\mathbb{E}}[f(\mathbf{x})]
+            - \underset{\mathbf{x}\sim{}\nu}{\mathbb{E}}[f(\mathbf{x})]
+
+    where :math:`\mu` and :math:`\nu` are the distributions corresponding to the
+    two possible labels as specific by ``true_values``.
+
+    Args:
+        input: Tensor of arbitrary shape.
+        target: Tensor of the same shape as input.
+        true_values: depreciated (target>0 is used)
 
     Returns:
         The Wasserstein-1 loss between ``input`` and ``target``.
     """
 
-    v0, v1 = true_values
     target = target.view(input.shape)
-    return torch.mean(input[target == v0]) - torch.mean(input[target == v1])
+    pos_target = (target > 0).to(input.dtype)
+    mean_pos = torch.mean(pos_target, dim=0)
+    # pos factor = batch_size/number of positive samples
+    pos_factor = torch.nan_to_num(1.0 / mean_pos)
+    # neg factor = batch_size/number of negative samples
+    neg_factor = -torch.nan_to_num(1.0 / (1.0 - mean_pos))
+
+    weighted_input = torch.where(target > 0, pos_factor, neg_factor) * input
+    # Since element-wise KR terms are averaged by loss reduction later on, it is needed
+    # to multiply by batch_size here.
+    # In binary case (`y_true` of shape (batch_size, 1)), `tf.reduce_mean(axis=-1)`
+    # behaves like `tf.squeeze()` to return element-wise loss of shape (batch_size, ).
+    return torch.mean(weighted_input, dim=-1)
+
+
+def kr_loss_multi_gpu(input: torch.Tensor, target: torch.Tensor) -> torch.Tensor:
+    r"""Returns the element-wise KR loss when computing with a multi-GPU/TPU strategy.
+
+    `target` and `input` can be either of shape (batch_size, 1) or
+    (batch_size, # classes).
+
+    When using this loss function, the labels `target` must be pre-processed with the
+    `process_labels_for_multi_gpu()` function.
+
+    Args:
+        input: Tensor of arbitrary shape.
+        target: pre-processed Tensor of the same shape as input.
+
+    Returns:
+        The Wasserstein-1 loss between ``input`` and ``target``.
+    """
+    target = target.view(input.shape).to(input.dtype)
+    # Since the information of batch size was included in `target` by
+    # `process_labels_for_multi_gpu()`, there is no need here to multiply by batch size.
+    # In binary case (`target` of shape (batch_size, 1)), `torch.mean(dim=-1)`
+    # behaves like `torch.squeeze()` to return element-wise loss of shape (batch_size,)
+    return torch.mean(input * target, dim=-1)
 
 
 def neg_kr_loss(
     input: torch.Tensor,
     target: torch.Tensor,
-    true_values: Tuple[int, int] = (0, 1),
+    multi_gpu=False,
+    true_values=None,
 ) -> torch.Tensor:
     """
     Loss to estimate the negative wasserstein-1 distance using Kantorovich-Rubinstein
@@ -323,15 +393,15 @@ def neg_kr_loss(
     Args:
         input: Tensor of arbitrary shape.
         target: Tensor of the same shape as input.
-        true_values: Tuple containing the two label for the predicted classes.
+        true_values: depreciated (target>0 is used)
 
     Returns:
         The negative Wasserstein-1 loss between ``input`` and ``target``.
 
     See Also:
         :py:func:`kr_loss`
     """
-    return -kr_loss(input, target, true_values)
+    return -kr_loss(input, target, multi_gpu=multi_gpu)
 
 
 def hinge_margin_loss(
@@ -356,20 +426,18 @@ def hinge_margin_loss(
         The hinge margin loss.
     """
     target = target.view(input.shape)
-    return torch.mean(
-        torch.max(
-            torch.zeros_like(input),
-            min_margin - torch.sign(target) * input,
-        )
-    )
+    sign_target = torch.where(target > 0, 1.0, -1.0).to(input.dtype)
+    hinge = F.relu(min_margin / 2.0 - sign_target * input)
+    return torch.mean(hinge, dim=-1)
 
 
 def hkr_loss(
     input: torch.Tensor,
     target: torch.Tensor,
     alpha: float,
     min_margin: float = 1.0,
-    true_values: Tuple[int, int] = (-1, 1),
+    multi_gpu=False,
+    true_values=None,
 ) -> torch.Tensor:
     """
     Loss to estimate the wasserstein-1 distance with a hinge regularization using
@@ -389,37 +457,17 @@ def hkr_loss(
         :py:func:`hinge_margin_loss`
         :py:func:`kr_loss`
     """
-    if alpha == np.inf:  # alpha negative hinge only
+    kr_loss_fct = kr_loss_multi_gpu if multi_gpu else kr_loss
+    assert alpha <= 1.0
+    if alpha == 1.0:  # alpha for  hinge only
         return hinge_margin_loss(input, target, min_margin)
-
+    if alpha == 0:
+        return -kr_loss_fct(input, target)
     # true value: positive value should be the first to be coherent with the
     # hinge loss (positive y_pred)
-    return alpha * hinge_margin_loss(input, target, min_margin) - kr_loss(
-        input, target, (true_values[1], true_values[0])
-    )
-
-
-def kr_multiclass_loss(
-    input: torch.Tensor,
-    target: torch.Tensor,
-) -> torch.Tensor:
-    r"""
-    Loss to estimate average of W1 distance using Kantorovich-Rubinstein
-    duality over outputs. In this multiclass setup thr KR term is computed
-    for each class and then averaged.
-
-    Args:
-        input: Tensor of arbitrary shape.
-        target: Tensor of the same shape as input.
-                target has to be one hot encoded (labels being 1s and 0s ).
-
-    Returns:
-        The Wasserstein multiclass loss between ``input`` and ``target``.
-    """
-    esp_true_true = torch.sum(input * target, 0) / torch.sum(target, 0)
-    esp_false_true = torch.sum(input * (1 - target), 0) / torch.sum((1 - target), 0)
-
-    return torch.mean(esp_true_true - esp_false_true)
+    return alpha * hinge_margin_loss(input, target, min_margin) - (
+        1 - alpha
+    ) * kr_loss_fct(input, target)
 
 
 def hinge_multiclass_loss(
@@ -445,17 +493,20 @@ def hinge_multiclass_loss(
     Returns:
         The hinge margin multiclass loss.
     """
-    return torch.mean(
-        ((target.shape[-1] - 2) * target + 1)
-        * F.relu(min_margin - (2 * target - 1) * input)
-    )
+    sign_target = torch.where(target > 0, 1.0, -1.0).to(input.dtype)
+    hinge = F.relu(min_margin / 2.0 - sign_target * input)
+    # reweight positive elements
+    factor = target.shape[-1] - 1.0
+    hinge = torch.where(target > 0, hinge * factor, hinge)
+    return torch.mean(hinge, dim=-1)
 
 
 def hkr_multiclass_loss(
     input: torch.Tensor,
     target: torch.Tensor,
     alpha: float = 0.0,
     min_margin: float = 1.0,
+    multi_gpu=False,
 ) -> torch.Tensor:
     """
     Loss to estimate the wasserstein-1 distance with a hinge regularization using
@@ -476,11 +527,42 @@ def hkr_multiclass_loss(
         :py:func:`kr_loss`
     """
 
-    if alpha == np.inf:  # alpha negative hinge only
+    assert alpha <= 1.0
+    kr_loss_fct = kr_loss_multi_gpu if multi_gpu else kr_loss
+    if alpha == 1.0:  # alpha  hinge only
         return hinge_multiclass_loss(input, target, min_margin)
     elif alpha == 0.0:  # alpha = 0 => KR only
-        return -kr_multiclass_loss(input, target)
+        return -kr_loss_fct(input, target)
     else:
-        return -kr_multiclass_loss(input, target) + alpha * hinge_multiclass_loss(
-            input, target, min_margin
-        )
+        return alpha * hinge_multiclass_loss(input, target, min_margin) - (
+            1 - alpha
+        ) * kr_loss_fct(input, target)
+
+
+def process_labels_for_multi_gpu(labels: torch.Tensor) -> torch.Tensor:
+    """Process labels to be fed to any loss based on KR estimation with a multi-GPU/TPU
+    strategy.
+
+    When using a multi-GPU/TPU strategy, the flag `multi_gpu` in KR-based losses must be
+    set to True and the labels have to be pre-processed with this function.
+
+    For binary classification, the labels should be of shape [batch_size, 1].
+    For multiclass problems, the labels must be one-hot encoded (1 or 0) with shape
+    [batch_size, number of classes].
+
+    Args:
+        labels (torch.Tensor): tensor containing the labels
+
+    Returns:
+        torch.Tensor: labels processed for KR-based losses with multi-GPU/TPU strategy.
+    """
+    pos_labels = torch.where(labels > 0, 1.0, 0.0).to(labels.dtype)
+    mean_pos = torch.mean(pos_labels, dim=0)
+    # pos factor = batch_size/number of positive samples
+    pos_factor = torch.nan_to_num(1.0 / mean_pos)
+    # neg factor = batch_size/number of negative samples
+    neg_factor = -torch.nan_to_num(1.0 / (1.0 - mean_pos))
+
+    # Since element-wise KR terms are averaged by loss reduction later on, it is needed
+    # to multiply by batch_size here.
+    return torch.where(labels > 0, pos_factor, neg_factor)