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authortlacombe <lacombe1993@gmail.com>2020-03-31 15:02:32 +0200
committertlacombe <lacombe1993@gmail.com>2020-03-31 15:02:32 +0200
commit842475615841f864b4ce41a2a4b69f1e189a2946 (patch)
tree3102227e3be0bb019b3baabaf79b575b260ff21c /src/python/gudhi/wasserstein/barycenter.py
parent1aaffd2e1fab45988d92f5e51a9d294696ff5492 (diff)
created wasserstein repo
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+# This file is part of the Gudhi Library - https://gudhi.inria.fr/ - which is released under MIT.
+# See file LICENSE or go to https://gudhi.inria.fr/licensing/ for full license details.
+# Author(s): Theo Lacombe
+#
+# Copyright (C) 2019 Inria
+#
+# Modification(s):
+# - YYYY/MM Author: Description of the modification
+
+
+import ot
+import numpy as np
+import scipy.spatial.distance as sc
+
+from gudhi.wasserstein import wasserstein_distance
+
+
+def _mean(x, m):
+ '''
+ :param x: a list of 2D-points, off diagonal, x_0... x_{k-1}
+ :param m: total amount of points taken into account,
+ that is we have (m-k) copies of diagonal
+ :returns: the weighted mean of x with (m-k) copies of the diagonal
+ '''
+ k = len(x)
+ if k > 0:
+ w = np.mean(x, axis=0)
+ w_delta = (w[0] + w[1]) / 2 * np.ones(2)
+ return (k * w + (m-k) * w_delta) / m
+ else:
+ return np.array([0, 0])
+
+
+def lagrangian_barycenter(pdiagset, init=None, verbose=False):
+ '''
+ :param pdiagset: a list of size m containing numpy.array of shape (n x 2)
+ (n can variate), encoding a set of
+ persistence diagrams with only finite coordinates.
+ :param init: The initial value for barycenter estimate.
+ If None, init is made on a random diagram from the dataset.
+ Otherwise, it must be an int
+ (then we init with diagset[init])
+ or a (n x 2) numpy.array enconding
+ a persistence diagram with n points.
+ :param verbose: if True, returns additional information about the
+ barycenter.
+ :returns: If not verbose (default), a numpy.array encoding
+ the barycenter estimate of pdiagset
+ (local minima of the energy function).
+ If pdiagset is empty, returns None.
+ If verbose, returns a couple (Y, log)
+ where Y is the barycenter estimate,
+ and log is a dict that contains additional informations:
+ - groupings, a list of list of pairs (i,j),
+ That is, G[k] = [(i, j) ...], where (i,j) indicates
+ that X[i] is matched to Y[j]
+ if i = -1 or j = -1, it means they
+ represent the diagonal.
+ - energy, a float representing the Frechet
+ energy value obtained,
+ that is the mean of squared distances
+ of observations to the output.
+ - nb_iter, integer representing the number of iterations
+ performed before convergence of the algorithm.
+ '''
+ X = pdiagset # to shorten notations, not a copy
+ m = len(X) # number of diagrams we are averaging
+ if m == 0:
+ print("Warning: computing barycenter of empty diag set. Returns None")
+ return None
+
+ # store the number of off-diagonal point for each of the X_i
+ nb_off_diag = np.array([len(X_i) for X_i in X])
+ # Initialisation of barycenter
+ if init is None:
+ i0 = np.random.randint(m) # Index of first state for the barycenter
+ Y = X[i0].copy()
+ else:
+ if type(init)==int:
+ Y = X[init].copy()
+ else:
+ Y = init.copy()
+
+ nb_iter = 0
+
+ converged = False # stoping criterion
+ while not converged:
+ nb_iter += 1
+ K = len(Y) # current nb of points in Y (some might be on diagonal)
+ G = np.full((K, m), -1, dtype=int) # will store for each j, the (index)
+ # point matched in each other diagram
+ #(might be the diagonal).
+ # that is G[j, i] = k <=> y_j is matched to
+ # x_k in the diagram i-th diagram X[i]
+ updated_points = np.zeros((K, 2)) # will store the new positions of
+ # the points of Y.
+ # If points disappear, there thrown
+ # on [0,0] by default.
+ new_created_points = [] # will store potential new points.
+
+ # Step 1 : compute optimal matching (Y, X_i) for each X_i
+ # and create new points in Y if needed
+ for i in range(m):
+ _, indices = wasserstein_distance(Y, X[i], matching=True, order=2., internal_p=2.)
+ for y_j, x_i_j in indices:
+ if y_j >= 0: # we matched an off diagonal point to x_i_j...
+ if x_i_j >= 0: # ...which is also an off-diagonal point.
+ G[y_j, i] = x_i_j
+ else: # ...which is a diagonal point
+ G[y_j, i] = -1 # -1 stands for the diagonal (mask)
+ else: # We matched a diagonal point to x_i_j...
+ if x_i_j >= 0: # which is a off-diag point !
+ # need to create new point in Y
+ new_y = _mean(np.array([X[i][x_i_j]]), m)
+ # Average this point with (m-1) copies of Delta
+ new_created_points.append(new_y)
+
+ # Step 2 : Update current point position thanks to groupings computed
+ to_delete = []
+ for j in range(K):
+ matched_points = [X[i][G[j, i]] for i in range(m) if G[j, i] > -1]
+ new_y_j = _mean(matched_points, m)
+ if not np.array_equal(new_y_j, np.array([0,0])):
+ updated_points[j] = new_y_j
+ else: # this points is no longer of any use.
+ to_delete.append(j)
+ # we remove the point to be deleted now.
+ updated_points = np.delete(updated_points, to_delete, axis=0)
+
+ # we cannot converge if there have been new created points.
+ if new_created_points:
+ Y = np.concatenate((updated_points, new_created_points))
+ else:
+ # Step 3 : we check convergence
+ if np.array_equal(updated_points, Y):
+ converged = True
+ Y = updated_points
+
+
+ if verbose:
+ groupings = []
+ energy = 0
+ log = {}
+ n_y = len(Y)
+ for i in range(m):
+ cost, edges = wasserstein_distance(Y, X[i], matching=True, order=2., internal_p=2.)
+ groupings.append(edges)
+ energy += cost
+ log["groupings"] = groupings
+ energy = energy/m
+ print(energy)
+ log["energy"] = energy
+ log["nb_iter"] = nb_iter
+
+ return Y, log
+ else:
+ return Y
+