##########################################################################
# basf2 (Belle II Analysis Software Framework) #
# Author: The Belle II Collaboration #
# #
# See git log for contributors and copyright holders. #
# This file is licensed under LGPL-3.0, see LICENSE.md. #
##########################################################################
import torch
from torch_scatter import scatter
from ignite.metrics import Metric
from ignite.exceptions import NotComputableError
from ignite.metrics.metric import sync_all_reduce, reinit__is_reduced
[docs]class PerfectLCA(Metric, object):
"""
Computes the rate of perfectly predicted LCAS matrices over a batch.
``output_transform`` should return the following items: ``(edge_pred, edge_y, edge_index, u_y, batch, num_graphs)``.
* ``edge_pred`` must contain edge prediction logits and have shape (num_edges_in_batch, edge_classes);
* ``edge_y`` must contain edge ground-truth class indices and have shape (num_edges_in_batch, 1);
* ``edge index`` maps edges to its nodes;
* ``u_y`` is the signal/background class (always 1 in the current setting);
* ``batch`` maps nodes to their graph;
* ``num_graphs`` is the number of graph in a batch (could be derived from ``batch`` also).
.. seealso::
`Ignite metrics <https://pytorch.org/ignite/metrics.html>`_
:param ignore_index: Class or list of classes to ignore during the computation (e.g. padding).
:type ignore_index: list[int]
:param output_transform: Function to transform engine's output to desired output.
:type output_transform: `function <https://docs.python.org/3/glossary.html#term-function>`_
:param device: ``cpu`` or ``gpu``.
:type device: str
"""
def __init__(self, ignore_index, output_transform, device='cpu'):
"""
Initialization.
"""
#: Ignore index
self.ignore_index = ignore_index if isinstance(ignore_index, list) else [ignore_index]
#: CPU or GPU
self.device = device
#: Good samples
self._per_corrects = None
#: Total samples
self._num_examples = None
super(PerfectLCA, self).__init__(output_transform=output_transform, device=device)
@reinit__is_reduced
def reset(self):
"""
Resets counters.
"""
self._per_corrects = 0
self._num_examples = 0
super(PerfectLCA, self).reset()
@reinit__is_reduced
def update(self, output):
"""
Updates counts.
"""
edge_pred, edge_y, edge_index, u_y, batch, num_graphs = output
num_graphs = num_graphs.item()
probs = torch.softmax(edge_pred, dim=1)
winners = probs.argmax(dim=1)
assert winners.shape == edge_y.shape, 'Edge predictions shape does not match target shape'
# Create a mask for the zeroth elements (padded entries)
mask = torch.ones(edge_y.size(), dtype=torch.long, device=self.device)
for ig_class in self.ignore_index:
mask &= (edge_y != ig_class)
# Zero the respective entries in the predictions
y_pred_mask = winners * mask
y_mask = edge_y * mask
# (N) compare the masked predictions with the target. The padded will be equal due to masking
truth = y_pred_mask.eq(y_mask) + 0 # +0 so it's not bool but 0 and 1
truth = scatter(truth, edge_index[0], reduce="min")
truth = scatter(truth, batch, reduce="min")
# Count the number of zero wrong predictions across the batch
batch_perfect = truth.sum().item()
self._per_corrects += batch_perfect
self._num_examples += num_graphs
@sync_all_reduce("_perfectLCA")
def compute(self):
"""
Final result.
"""
if self._num_examples == 0:
raise NotComputableError(
"CustomAccuracy must have at least one example before it can be computed."
)
return self._per_corrects / self._num_examples
[docs]class PerfectMasses(Metric, object):
"""
Computes the rate of events with perfectly predicted mass hypotheses over a batch.
``output_transform`` should return the following items: ``(x_pred, x_y, u_y, batch, num_graphs)``.
* ``x_pred`` must contain node prediction logits and have shape (num_nodes_in_batch, node_classes);
* ``x_y`` must contain node ground-truth class indices and have shape (num_nodes_in_batch, 1);
* ``u_y`` is the signal/background class (always 1 in the current setting);
* ``batch`` maps nodes to their graph;
* ``num_graphs`` is the number of graph in a batch (could be derived from ``batch`` also).
.. seealso::
`Ignite metrics <https://pytorch.org/ignite/metrics.html>`_
:param ignore_index: Class or list of classes to ignore during the computation (e.g. padding).
:type ignore_index: list[int]
:param output_transform: Function to transform engine's output to desired output.
:type output_transform: `function <https://docs.python.org/3/glossary.html#term-function>`_
:param device: ``cpu`` or ``gpu``.
:type device: str
"""
def __init__(self, ignore_index, output_transform, device='cpu'):
"""
Initialization.
"""
#: Ignore index
self.ignore_index = ignore_index if isinstance(ignore_index, list) else [ignore_index]
#: CPU or GPU
self.device = device
#: Good samples
self._per_corrects = None
#: Total samples
self._num_examples = None
super(PerfectMasses, self).__init__(output_transform=output_transform, device=device)
@reinit__is_reduced
def reset(self):
"""
Resets counts.
"""
self._per_corrects = 0
self._num_examples = 0
super(PerfectMasses, self).reset()
@reinit__is_reduced
def update(self, output):
"""
Updates counts.
"""
x_pred, x_y, u_y, batch, num_graphs = output
num_graphs = num_graphs.item()
probs = torch.softmax(x_pred, dim=1)
winners = probs.argmax(dim=1)
assert winners.shape == x_y.shape, 'Mass predictions shape does not match target shape'
# Create a mask for the zeroth elements (padded entries)
mask = torch.ones(x_y.size(), dtype=torch.long, device=self.device)
for ig_class in self.ignore_index:
mask &= (x_y != ig_class)
# Zero the respective entries in the predictions
y_pred_mask = winners * mask
y_mask = x_y * mask
# (N) compare the masked predictions with the target. The padded will be equal due to masking
truth = y_pred_mask.eq(y_mask) + 0 # +0 so it's not bool but 0 and 1
truth = scatter(truth, batch, reduce="min")
# Count the number of zero wrong predictions across the batch
batch_perfect = truth.sum().item()
self._per_corrects += batch_perfect
self._num_examples += num_graphs
@sync_all_reduce("_perfectMasses")
def compute(self):
"""
Final computation.
"""
if self._num_examples == 0:
raise NotComputableError(
"CustomAccuracy must have at least one example before it can be computed."
)
return self._per_corrects / self._num_examples
[docs]class PerfectEvent(Metric, object):
"""
Computes the rate of events with perfectly predicted mass hypotheses and LCAS matrices over a batch.
``output_transform`` should return the following items:
``(x_pred, x_y, edge_pred, edge_y, edge_index, u_y, batch, num_graphs)``.
* ``x_pred`` must contain node prediction logits and have shape (num_nodes_in_batch, node_classes);
* ``x_y`` must contain node ground-truth class indices and have shape (num_nodes_in_batch, 1);
* ``edge_pred`` must contain edge prediction logits and have shape (num_edges_in_batch, edge_classes);
* ``edge_y`` must contain edge ground-truth class indices and have shape (num_edges_in_batch, 1);
* ``edge index`` maps edges to its nodes;
* ``u_y`` is the signal/background class (always 1 in the current setting);
* ``batch`` maps nodes to their graph;
* ``num_graphs`` is the number of graph in a batch (could be derived from ``batch`` also).
.. seealso::
`Ignite metrics <https://pytorch.org/ignite/metrics.html>`_
:param ignore_index: Class or list of classes to ignore during the computation (e.g. padding).
:type ignore_index: list[int]
:param output_transform: Function to transform engine's output to desired output.
:type output_transform: `function <https://docs.python.org/3/glossary.html#term-function>`_
:param device: ``cpu`` or ``gpu``.
:type device: str
"""
def __init__(self, ignore_index, output_transform, device='cpu'):
"""
Initialization.
"""
#: Ignore index
self.ignore_index = ignore_index if isinstance(ignore_index, list) else [ignore_index]
#: CPU or GPU
self.device = device
#: Good samples
self._per_corrects = None
#: Total samples
self._num_examples = None
super(PerfectEvent, self).__init__(output_transform=output_transform, device=device)
@reinit__is_reduced
def reset(self):
"""
Resets counts.
"""
self._per_corrects = 0
self._num_examples = 0
super(PerfectEvent, self).reset()
@reinit__is_reduced
def update(self, output):
"""
Updates counts.
"""
x_pred, x_y, edge_pred, edge_y, edge_index, u_y, batch, num_graphs = output
num_graphs = num_graphs.item()
x_probs = torch.softmax(x_pred, dim=1)
x_winners = x_probs.argmax(dim=1)
edge_probs = torch.softmax(edge_pred, dim=1)
edge_winners = edge_probs.argmax(dim=1)
assert x_winners.shape == x_y.shape, 'Mass predictions shape does not match target shape'
assert edge_winners.shape == edge_y.shape, 'Edge predictions shape does not match target shape'
# Create a mask for the zeroth elements (padded entries)
x_mask = torch.ones(x_y.size(), dtype=torch.long, device=self.device)
edge_mask = torch.ones(edge_y.size(), dtype=torch.long, device=self.device)
for ig_class in self.ignore_index:
x_mask &= (x_y != ig_class)
edge_mask &= (edge_y != ig_class)
# Zero the respective entries in the predictions
x_pred_mask = x_winners * x_mask
x_mask = x_y * x_mask
edge_pred_mask = edge_winners * edge_mask
edge_mask = edge_y * edge_mask
# (N) compare the masked predictions with the target. The padded will be equal due to masking
# Masses
x_truth = x_pred_mask.eq(x_mask) + 0 # +0 so it's not bool but 0 and 1
x_truth = scatter(x_truth, batch, reduce="min")
# Edges
edge_truth = edge_pred_mask.eq(edge_mask) + 0 # +0 so it's not bool but 0 and 1
edge_truth = scatter(edge_truth, edge_index[0], reduce="min")
edge_truth = scatter(edge_truth, batch, reduce="min")
# Count the number of zero wrong predictions across the batch
truth = x_truth.bool() & edge_truth.bool()
batch_perfect = (truth + 0).sum().item()
self._per_corrects += batch_perfect
self._num_examples += num_graphs
@sync_all_reduce("_perfectEvent")
def compute(self):
"""
Final computation.
"""
if self._num_examples == 0:
raise NotComputableError(
"CustomAccuracy must have at least one example before it can be computed."
)
return self._per_corrects / self._num_examples
