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-rw-r--r--src/python/gudhi/point_cloud/dtm.py109
1 files changed, 109 insertions, 0 deletions
diff --git a/src/python/gudhi/point_cloud/dtm.py b/src/python/gudhi/point_cloud/dtm.py
index 13e16d24..55ac58e6 100644
--- a/src/python/gudhi/point_cloud/dtm.py
+++ b/src/python/gudhi/point_cloud/dtm.py
@@ -8,6 +8,7 @@
# - YYYY/MM Author: Description of the modification
from .knn import KNearestNeighbors
+import numpy as np
__author__ = "Marc Glisse"
__copyright__ = "Copyright (C) 2020 Inria"
@@ -68,3 +69,111 @@ class DistanceToMeasure:
# We compute too many powers, 1/p in knn then q in dtm, 1/q in dtm then q or some log in the caller.
# Add option to skip the final root?
return dtm
+
+
+class DTMDensity:
+ """
+ Density estimator based on the distance to the empirical measure defined by a point set, as defined
+ in :cite:`dtmdensity`. Note that this implementation only renormalizes when asked, and the renormalization
+ only works for a Euclidean metric, so in other cases the total measure may not be 1.
+
+ .. note:: When the dimension is high, using it as an exponent can quickly lead to under- or overflows.
+ We recommend using a small fixed value instead in those cases, even if it won't have the same nice
+ theoretical properties as the dimension.
+ """
+
+ def __init__(self, k=None, weights=None, q=None, dim=None, normalize=False, n_samples=None, **kwargs):
+ """
+ Args:
+ k (int): number of neighbors (possibly including the point itself). Optional if it can be guessed
+ from weights or metric="neighbors".
+ weights (numpy.array): weights of each of the k neighbors, optional. They are supposed to sum to 1.
+ q (float): order used to compute the distance to measure. Defaults to dim.
+ dim (float): final exponent representing the dimension. Defaults to the dimension, and must be specified
+ when the dimension cannot be read from the input (metric is "neighbors" or "precomputed").
+ normalize (bool): normalize the density so it corresponds to a probability measure on ℝᵈ.
+ Only available for the Euclidean metric, defaults to False.
+ n_samples (int): number of sample points used for fitting. Only needed if `normalize` is True and
+ metric is "neighbors".
+ kwargs: same parameters as :class:`~gudhi.point_cloud.knn.KNearestNeighbors`, except that
+ metric="neighbors" means that :func:`transform` expects an array with the distances to
+ the k nearest neighbors.
+ """
+ if weights is None:
+ self.k = k
+ if k is None:
+ assert kwargs.get("metric") == "neighbors", 'Must specify k or weights, unless metric is "neighbors"'
+ self.weights = None
+ else:
+ self.weights = np.full(k, 1.0 / k)
+ else:
+ self.weights = weights
+ self.k = len(weights)
+ assert k is None or k == self.k, "k differs from the length of weights"
+ self.q = q
+ self.dim = dim
+ self.params = kwargs
+ self.normalize = normalize
+ self.n_samples = n_samples
+
+ def fit_transform(self, X, y=None):
+ return self.fit(X).transform(X)
+
+ def fit(self, X, y=None):
+ """
+ Args:
+ X (numpy.array): coordinates for mass points.
+ """
+ if self.params.setdefault("metric", "euclidean") != "neighbors":
+ self.knn = KNearestNeighbors(
+ self.k, return_index=False, return_distance=True, sort_results=False, **self.params
+ )
+ self.knn.fit(X)
+ if self.params["metric"] != "precomputed":
+ self.n_samples = len(X)
+ return self
+
+ def transform(self, X):
+ """
+ Args:
+ X (numpy.array): coordinates for query points, or distance matrix if metric is "precomputed",
+ or distances to the k nearest neighbors if metric is "neighbors" (if the array has more
+ than k columns, the remaining ones are ignored).
+ """
+ q = self.q
+ dim = self.dim
+ if dim is None:
+ assert self.params["metric"] not in {
+ "neighbors",
+ "precomputed",
+ }, "dim not specified and cannot guess the dimension"
+ dim = len(X[0])
+ if q is None:
+ q = dim
+ k = self.k
+ weights = self.weights
+ if self.params["metric"] == "neighbors":
+ distances = np.asarray(X)
+ if weights is None:
+ k = distances.shape[1]
+ weights = np.full(k, 1.0 / k)
+ else:
+ distances = distances[:, :k]
+ else:
+ distances = self.knn.transform(X)
+ distances = distances ** q
+ dtm = (distances * weights).sum(-1)
+ if self.normalize:
+ dtm /= (np.arange(1, k + 1) ** (q / dim) * weights).sum()
+ density = dtm ** (-dim / q)
+ if self.normalize:
+ import math
+
+ if self.params["metric"] == "precomputed":
+ self.n_samples = len(X[0])
+ # Volume of d-ball
+ Vd = math.pi ** (dim / 2) / math.gamma(dim / 2 + 1)
+ density /= self.n_samples * Vd
+ return density
+ # We compute too many powers, 1/p in knn then q in dtm, d/q in dtm then whatever in the caller.
+ # Add option to skip the final root?