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- # LICENSE HEADER MANAGED BY add-license-header
- #
- # Copyright 2018 Kornia Team
- #
- # Licensed under the Apache License, Version 2.0 (the "License");
- # you may not use this file except in compliance with the License.
- # You may obtain a copy of the License at
- #
- # http://www.apache.org/licenses/LICENSE-2.0
- #
- # Unless required by applicable law or agreed to in writing, software
- # distributed under the License is distributed on an "AS IS" BASIS,
- # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- # See the License for the specific language governing permissions and
- # limitations under the License.
- #
- # based on https://github.com/subhadarship/kmeans_pytorch
- from __future__ import annotations
- import torch
- from kornia.core import Tensor
- from kornia.core.check import KORNIA_CHECK, KORNIA_CHECK_SHAPE
- from kornia.geometry.linalg import euclidean_distance
- class KMeans:
- """Implements the kmeans clustering algorithm with euclidean distance as similarity measure.
- Args:
- num_clusters: number of clusters the data has to be assigned to
- cluster_centers: tensor of starting cluster centres can be passed instead of num_clusters
- tolerance: float value. the algorithm terminates if the shift in centers is less than tolerance
- max_iterations: number of iterations to run the algorithm for
- seed: number to set torch manual seed for reproducibility
- Example:
- >>> kmeans = kornia.contrib.KMeans(3, None, 10e-4, 100, 0)
- >>> kmeans.fit(torch.rand((1000, 5)))
- >>> predictions = kmeans.predict(torch.rand((10, 5)))
- """
- def __init__(
- self,
- num_clusters: int,
- cluster_centers: Tensor | None,
- tolerance: float = 10e-4,
- max_iterations: int = 0,
- seed: int | None = None,
- ) -> None:
- KORNIA_CHECK(num_clusters != 0, "num_clusters can't be 0")
- # cluster_centers should have only 2 dimensions
- if cluster_centers is not None:
- KORNIA_CHECK_SHAPE(cluster_centers, ["C", "D"])
- self.num_clusters = num_clusters
- self._cluster_centers = cluster_centers
- self.tolerance = tolerance
- self.max_iterations = max_iterations
- self._final_cluster_assignments: None | Tensor = None
- self._final_cluster_centers: None | Tensor = None
- if seed is not None:
- torch.manual_seed(seed)
- @property
- def cluster_centers(self) -> Tensor:
- if isinstance(self._final_cluster_centers, Tensor):
- return self._final_cluster_centers
- if isinstance(self._cluster_centers, Tensor):
- return self._cluster_centers
- else:
- raise TypeError("Model has not been fit to a dataset")
- @property
- def cluster_assignments(self) -> Tensor:
- if isinstance(self._final_cluster_assignments, Tensor):
- return self._final_cluster_assignments
- else:
- raise TypeError("Model has not been fit to a dataset")
- def _initialise_cluster_centers(self, X: Tensor, num_clusters: int) -> Tensor:
- """Chooses num_cluster points from X as the initial cluster centers.
- Args:
- X: 2D input tensor to be clustered
- num_clusters: number of desired cluster centers
- Returns:
- 2D Tensor with num_cluster rows
- """
- num_samples: int = len(X)
- perm = torch.randperm(num_samples, device=X.device)
- idx = perm[:num_clusters]
- initial_state = X[idx]
- return initial_state
- def _pairwise_euclidean_distance(self, data1: Tensor, data2: Tensor) -> Tensor:
- """Compute pairwise squared distance between 2 sets of vectors.
- Args:
- data1: 2D tensor of shape N, D
- data2: 2D tensor of shape C, D
- Returns:
- 2D tensor of shape N, C
- """
- # N*1*D
- A = data1[:, None, ...]
- # 1*C*D
- B = data2[None, ...]
- distance = euclidean_distance(A, B)
- return distance
- def fit(self, X: Tensor) -> None:
- """Fit iterative KMeans clustering till a threshold for shift in cluster centers or a maximum no of iterations
- have reached.
- Args:
- X: 2D input tensor to be clustered
- """ # noqa: D205
- # X should have only 2 dimensions
- KORNIA_CHECK_SHAPE(X, ["N", "D"])
- if self._cluster_centers is None:
- self._cluster_centers = self._initialise_cluster_centers(X, self.num_clusters)
- else:
- # X and cluster_centers should have same number of columns
- KORNIA_CHECK(
- X.shape[1] == self._cluster_centers.shape[1],
- f"Dimensions at position 1 of X and cluster_centers do not match. \
- {X.shape[1]} != {self._cluster_centers.shape[1]}",
- )
- # X = X.to(self.device)
- current_centers = self._cluster_centers
- previous_centers: Tensor | None = None
- iteration: int = 0
- while True:
- # find distance between X and current_centers
- distance: Tensor = self._pairwise_euclidean_distance(X, current_centers)
- cluster_assignment = distance.argmin(-1)
- previous_centers = current_centers.clone()
- for index in range(self.num_clusters):
- selected = torch.nonzero(cluster_assignment == index).squeeze()
- selected = torch.index_select(X, 0, selected)
- # edge case when a certain cluster centre has no points assigned to it
- # just choose a random point as it's update
- if selected.shape[0] == 0:
- selected = X[torch.randint(len(X), (1,), device=X.device)]
- current_centers[index] = selected.mean(dim=0)
- # sum of distance of how much the newly computed clusters have moved from their previous positions
- center_shift = torch.sum(torch.sqrt(torch.sum((current_centers - previous_centers) ** 2, dim=1)))
- iteration = iteration + 1
- if self.tolerance is not None and center_shift**2 < self.tolerance:
- break
- if self.max_iterations != 0 and iteration >= self.max_iterations:
- break
- self._final_cluster_assignments = cluster_assignment
- self._final_cluster_centers = current_centers
- def predict(self, x: Tensor) -> Tensor:
- """Find the cluster center closest to each point in x.
- Args:
- x: 2D tensor
- Returns:
- 1D tensor containing cluster id assigned to each data point in x
- """
- # x and cluster_centers should have same number of columns
- KORNIA_CHECK(
- x.shape[1] == self.cluster_centers.shape[1],
- f"Dimensions at position 1 of x and cluster_centers do not match. \
- {x.shape[1]} != {self.cluster_centers.shape[1]}",
- )
- distance = self._pairwise_euclidean_distance(x, self.cluster_centers)
- cluster_assignment = distance.argmin(-1)
- return cluster_assignment
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