multipers 2.2.3__cp312-cp312-win_amd64.whl → 2.3.0__cp312-cp312-win_amd64.whl

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Files changed (182) hide show
  1. multipers/__init__.py +33 -31
  2. multipers/_signed_measure_meta.py +430 -430
  3. multipers/_slicer_meta.py +211 -212
  4. multipers/data/MOL2.py +458 -458
  5. multipers/data/UCR.py +18 -18
  6. multipers/data/graphs.py +466 -466
  7. multipers/data/immuno_regions.py +27 -27
  8. multipers/data/pytorch2simplextree.py +90 -90
  9. multipers/data/shape3d.py +101 -101
  10. multipers/data/synthetic.py +113 -111
  11. multipers/distances.py +198 -198
  12. multipers/filtration_conversions.pxd.tp +84 -84
  13. multipers/filtrations/__init__.py +18 -0
  14. multipers/filtrations/filtrations.py +289 -0
  15. multipers/filtrations.pxd +224 -224
  16. multipers/function_rips.cp312-win_amd64.pyd +0 -0
  17. multipers/function_rips.pyx +105 -105
  18. multipers/grids.cp312-win_amd64.pyd +0 -0
  19. multipers/grids.pyx +350 -350
  20. multipers/gudhi/Persistence_slices_interface.h +132 -132
  21. multipers/gudhi/Simplex_tree_interface.h +239 -245
  22. multipers/gudhi/Simplex_tree_multi_interface.h +516 -561
  23. multipers/gudhi/cubical_to_boundary.h +59 -59
  24. multipers/gudhi/gudhi/Bitmap_cubical_complex.h +450 -450
  25. multipers/gudhi/gudhi/Bitmap_cubical_complex_base.h +1070 -1070
  26. multipers/gudhi/gudhi/Bitmap_cubical_complex_periodic_boundary_conditions_base.h +579 -579
  27. multipers/gudhi/gudhi/Debug_utils.h +45 -45
  28. multipers/gudhi/gudhi/Fields/Multi_field.h +484 -484
  29. multipers/gudhi/gudhi/Fields/Multi_field_operators.h +455 -455
  30. multipers/gudhi/gudhi/Fields/Multi_field_shared.h +450 -450
  31. multipers/gudhi/gudhi/Fields/Multi_field_small.h +531 -531
  32. multipers/gudhi/gudhi/Fields/Multi_field_small_operators.h +507 -507
  33. multipers/gudhi/gudhi/Fields/Multi_field_small_shared.h +531 -531
  34. multipers/gudhi/gudhi/Fields/Z2_field.h +355 -355
  35. multipers/gudhi/gudhi/Fields/Z2_field_operators.h +376 -376
  36. multipers/gudhi/gudhi/Fields/Zp_field.h +420 -420
  37. multipers/gudhi/gudhi/Fields/Zp_field_operators.h +400 -400
  38. multipers/gudhi/gudhi/Fields/Zp_field_shared.h +418 -418
  39. multipers/gudhi/gudhi/Flag_complex_edge_collapser.h +337 -337
  40. multipers/gudhi/gudhi/Matrix.h +2107 -2107
  41. multipers/gudhi/gudhi/Multi_critical_filtration.h +1038 -1038
  42. multipers/gudhi/gudhi/Multi_persistence/Box.h +171 -171
  43. multipers/gudhi/gudhi/Multi_persistence/Line.h +282 -282
  44. multipers/gudhi/gudhi/Off_reader.h +173 -173
  45. multipers/gudhi/gudhi/One_critical_filtration.h +1432 -1431
  46. multipers/gudhi/gudhi/Persistence_matrix/Base_matrix.h +769 -769
  47. multipers/gudhi/gudhi/Persistence_matrix/Base_matrix_with_column_compression.h +686 -686
  48. multipers/gudhi/gudhi/Persistence_matrix/Boundary_matrix.h +842 -842
  49. multipers/gudhi/gudhi/Persistence_matrix/Chain_matrix.h +1350 -1350
  50. multipers/gudhi/gudhi/Persistence_matrix/Id_to_index_overlay.h +1105 -1105
  51. multipers/gudhi/gudhi/Persistence_matrix/Position_to_index_overlay.h +859 -859
  52. multipers/gudhi/gudhi/Persistence_matrix/RU_matrix.h +910 -910
  53. multipers/gudhi/gudhi/Persistence_matrix/allocators/entry_constructors.h +139 -139
  54. multipers/gudhi/gudhi/Persistence_matrix/base_pairing.h +230 -230
  55. multipers/gudhi/gudhi/Persistence_matrix/base_swap.h +211 -211
  56. multipers/gudhi/gudhi/Persistence_matrix/boundary_cell_position_to_id_mapper.h +60 -60
  57. multipers/gudhi/gudhi/Persistence_matrix/boundary_face_position_to_id_mapper.h +60 -60
  58. multipers/gudhi/gudhi/Persistence_matrix/chain_pairing.h +136 -136
  59. multipers/gudhi/gudhi/Persistence_matrix/chain_rep_cycles.h +190 -190
  60. multipers/gudhi/gudhi/Persistence_matrix/chain_vine_swap.h +616 -616
  61. multipers/gudhi/gudhi/Persistence_matrix/columns/chain_column_extra_properties.h +150 -150
  62. multipers/gudhi/gudhi/Persistence_matrix/columns/column_dimension_holder.h +106 -106
  63. multipers/gudhi/gudhi/Persistence_matrix/columns/column_utilities.h +219 -219
  64. multipers/gudhi/gudhi/Persistence_matrix/columns/entry_types.h +327 -327
  65. multipers/gudhi/gudhi/Persistence_matrix/columns/heap_column.h +1140 -1140
  66. multipers/gudhi/gudhi/Persistence_matrix/columns/intrusive_list_column.h +934 -934
  67. multipers/gudhi/gudhi/Persistence_matrix/columns/intrusive_set_column.h +934 -934
  68. multipers/gudhi/gudhi/Persistence_matrix/columns/list_column.h +980 -980
  69. multipers/gudhi/gudhi/Persistence_matrix/columns/naive_vector_column.h +1092 -1092
  70. multipers/gudhi/gudhi/Persistence_matrix/columns/row_access.h +192 -192
  71. multipers/gudhi/gudhi/Persistence_matrix/columns/set_column.h +921 -921
  72. multipers/gudhi/gudhi/Persistence_matrix/columns/small_vector_column.h +1093 -1093
  73. multipers/gudhi/gudhi/Persistence_matrix/columns/unordered_set_column.h +1012 -1012
  74. multipers/gudhi/gudhi/Persistence_matrix/columns/vector_column.h +1244 -1244
  75. multipers/gudhi/gudhi/Persistence_matrix/matrix_dimension_holders.h +186 -186
  76. multipers/gudhi/gudhi/Persistence_matrix/matrix_row_access.h +164 -164
  77. multipers/gudhi/gudhi/Persistence_matrix/ru_pairing.h +156 -156
  78. multipers/gudhi/gudhi/Persistence_matrix/ru_rep_cycles.h +376 -376
  79. multipers/gudhi/gudhi/Persistence_matrix/ru_vine_swap.h +540 -540
  80. multipers/gudhi/gudhi/Persistent_cohomology/Field_Zp.h +118 -118
  81. multipers/gudhi/gudhi/Persistent_cohomology/Multi_field.h +173 -173
  82. multipers/gudhi/gudhi/Persistent_cohomology/Persistent_cohomology_column.h +128 -128
  83. multipers/gudhi/gudhi/Persistent_cohomology.h +745 -745
  84. multipers/gudhi/gudhi/Points_off_io.h +171 -171
  85. multipers/gudhi/gudhi/Simple_object_pool.h +69 -69
  86. multipers/gudhi/gudhi/Simplex_tree/Simplex_tree_iterators.h +463 -463
  87. multipers/gudhi/gudhi/Simplex_tree/Simplex_tree_node_explicit_storage.h +83 -83
  88. multipers/gudhi/gudhi/Simplex_tree/Simplex_tree_siblings.h +106 -106
  89. multipers/gudhi/gudhi/Simplex_tree/Simplex_tree_star_simplex_iterators.h +277 -277
  90. multipers/gudhi/gudhi/Simplex_tree/hooks_simplex_base.h +62 -62
  91. multipers/gudhi/gudhi/Simplex_tree/indexing_tag.h +27 -27
  92. multipers/gudhi/gudhi/Simplex_tree/serialization_utils.h +62 -62
  93. multipers/gudhi/gudhi/Simplex_tree/simplex_tree_options.h +157 -157
  94. multipers/gudhi/gudhi/Simplex_tree.h +2794 -2794
  95. multipers/gudhi/gudhi/Simplex_tree_multi.h +152 -163
  96. multipers/gudhi/gudhi/distance_functions.h +62 -62
  97. multipers/gudhi/gudhi/graph_simplicial_complex.h +104 -104
  98. multipers/gudhi/gudhi/persistence_interval.h +253 -253
  99. multipers/gudhi/gudhi/persistence_matrix_options.h +170 -170
  100. multipers/gudhi/gudhi/reader_utils.h +367 -367
  101. multipers/gudhi/mma_interface_coh.h +256 -255
  102. multipers/gudhi/mma_interface_h0.h +223 -231
  103. multipers/gudhi/mma_interface_matrix.h +284 -282
  104. multipers/gudhi/naive_merge_tree.h +536 -575
  105. multipers/gudhi/scc_io.h +310 -289
  106. multipers/gudhi/truc.h +890 -888
  107. multipers/io.cp312-win_amd64.pyd +0 -0
  108. multipers/io.pyx +711 -711
  109. multipers/ml/accuracies.py +90 -90
  110. multipers/ml/convolutions.py +520 -520
  111. multipers/ml/invariants_with_persistable.py +79 -79
  112. multipers/ml/kernels.py +176 -176
  113. multipers/ml/mma.py +713 -714
  114. multipers/ml/one.py +472 -472
  115. multipers/ml/point_clouds.py +352 -346
  116. multipers/ml/signed_measures.py +1589 -1589
  117. multipers/ml/sliced_wasserstein.py +461 -461
  118. multipers/ml/tools.py +113 -113
  119. multipers/mma_structures.cp312-win_amd64.pyd +0 -0
  120. multipers/mma_structures.pxd +127 -127
  121. multipers/mma_structures.pyx +4 -4
  122. multipers/mma_structures.pyx.tp +1085 -1085
  123. multipers/multi_parameter_rank_invariant/diff_helpers.h +84 -93
  124. multipers/multi_parameter_rank_invariant/euler_characteristic.h +97 -97
  125. multipers/multi_parameter_rank_invariant/function_rips.h +322 -322
  126. multipers/multi_parameter_rank_invariant/hilbert_function.h +769 -769
  127. multipers/multi_parameter_rank_invariant/persistence_slices.h +148 -148
  128. multipers/multi_parameter_rank_invariant/rank_invariant.h +369 -369
  129. multipers/multiparameter_edge_collapse.py +41 -41
  130. multipers/multiparameter_module_approximation/approximation.h +2296 -2295
  131. multipers/multiparameter_module_approximation/combinatory.h +129 -129
  132. multipers/multiparameter_module_approximation/debug.h +107 -107
  133. multipers/multiparameter_module_approximation/format_python-cpp.h +286 -286
  134. multipers/multiparameter_module_approximation/heap_column.h +238 -238
  135. multipers/multiparameter_module_approximation/images.h +79 -79
  136. multipers/multiparameter_module_approximation/list_column.h +174 -174
  137. multipers/multiparameter_module_approximation/list_column_2.h +232 -232
  138. multipers/multiparameter_module_approximation/ru_matrix.h +347 -347
  139. multipers/multiparameter_module_approximation/set_column.h +135 -135
  140. multipers/multiparameter_module_approximation/structure_higher_dim_barcode.h +36 -36
  141. multipers/multiparameter_module_approximation/unordered_set_column.h +166 -166
  142. multipers/multiparameter_module_approximation/utilities.h +403 -419
  143. multipers/multiparameter_module_approximation/vector_column.h +223 -223
  144. multipers/multiparameter_module_approximation/vector_matrix.h +331 -331
  145. multipers/multiparameter_module_approximation/vineyards.h +464 -464
  146. multipers/multiparameter_module_approximation/vineyards_trajectories.h +649 -649
  147. multipers/multiparameter_module_approximation.cp312-win_amd64.pyd +0 -0
  148. multipers/multiparameter_module_approximation.pyx +216 -217
  149. multipers/pickle.py +90 -53
  150. multipers/plots.py +342 -334
  151. multipers/point_measure.cp312-win_amd64.pyd +0 -0
  152. multipers/point_measure.pyx +322 -320
  153. multipers/simplex_tree_multi.cp312-win_amd64.pyd +0 -0
  154. multipers/simplex_tree_multi.pxd +133 -133
  155. multipers/simplex_tree_multi.pyx +18 -15
  156. multipers/simplex_tree_multi.pyx.tp +1939 -1935
  157. multipers/slicer.cp312-win_amd64.pyd +0 -0
  158. multipers/slicer.pxd +81 -20
  159. multipers/slicer.pxd.tp +215 -214
  160. multipers/slicer.pyx +1091 -308
  161. multipers/slicer.pyx.tp +924 -914
  162. multipers/tensor/tensor.h +672 -672
  163. multipers/tensor.pxd +13 -13
  164. multipers/test.pyx +44 -44
  165. multipers/tests/__init__.py +57 -57
  166. multipers/torch/diff_grids.py +217 -217
  167. multipers/torch/rips_density.py +310 -304
  168. {multipers-2.2.3.dist-info → multipers-2.3.0.dist-info}/LICENSE +21 -21
  169. {multipers-2.2.3.dist-info → multipers-2.3.0.dist-info}/METADATA +21 -11
  170. multipers-2.3.0.dist-info/RECORD +182 -0
  171. multipers/tests/test_diff_helper.py +0 -73
  172. multipers/tests/test_hilbert_function.py +0 -82
  173. multipers/tests/test_mma.py +0 -83
  174. multipers/tests/test_point_clouds.py +0 -49
  175. multipers/tests/test_python-cpp_conversion.py +0 -82
  176. multipers/tests/test_signed_betti.py +0 -181
  177. multipers/tests/test_signed_measure.py +0 -89
  178. multipers/tests/test_simplextreemulti.py +0 -221
  179. multipers/tests/test_slicer.py +0 -221
  180. multipers-2.2.3.dist-info/RECORD +0 -189
  181. {multipers-2.2.3.dist-info → multipers-2.3.0.dist-info}/WHEEL +0 -0
  182. {multipers-2.2.3.dist-info → multipers-2.3.0.dist-info}/top_level.txt +0 -0
@@ -1,461 +1,461 @@
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- # This code was written by Mathieu Carrière.
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-
3
- import numpy as np
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- from sklearn.base import BaseEstimator, TransformerMixin
5
- from sklearn.metrics import pairwise_distances, pairwise_kernels
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- from joblib import Parallel, delayed
7
-
8
-
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- def _pairwise(fallback, skipdiag, X, Y, metric, n_jobs):
10
- if Y is not None:
11
- return fallback(X, Y, metric=metric, n_jobs=n_jobs)
12
- triu = np.triu_indices(len(X), k=skipdiag)
13
- tril = (triu[1], triu[0])
14
- par = Parallel(n_jobs=n_jobs, prefer="threads")
15
- d = par(delayed(metric)([triu[0][i]], [triu[1][i]])
16
- for i in range(len(triu[0])))
17
- m = np.empty((len(X), len(X)))
18
- m[triu] = d
19
- m[tril] = d
20
- if skipdiag:
21
- np.fill_diagonal(m, 0)
22
- return m
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-
24
-
25
- def _sklearn_wrapper(metric, X, Y, **kwargs):
26
- """
27
- This function is a wrapper for any metric between two signed measures that takes two numpy arrays of shapes (nxD) and (mxD) as arguments.
28
- """
29
- if Y is None:
30
-
31
- def flat_metric(a, b):
32
- return metric(X[int(a[0])], X[int(b[0])], **kwargs)
33
- else:
34
-
35
- def flat_metric(a, b):
36
- return metric(X[int(a[0])], Y[int(b[0])], **kwargs)
37
-
38
- return flat_metric
39
-
40
-
41
- def _compute_signed_measure_parts(X):
42
- """
43
- This is a function for separating the positive and negative points of a list of signed measures. This function can be used as a preprocessing step in order to speed up the running time for computing all pairwise (sliced) Wasserstein distances on a list of signed measures.
44
-
45
- Parameters:
46
- X (list of n tuples): list of signed measures.
47
-
48
- Returns:
49
- list of n pairs of numpy arrays of shape (num x dimension): list of positive and negative signed measures.
50
- """
51
- XX = []
52
- for C, M in X:
53
- pos_idxs = np.argwhere(M > 0).ravel()
54
- neg_idxs = np.setdiff1d(np.arange(len(M)), pos_idxs)
55
- XX.append(
56
- [
57
- np.repeat(C[pos_idxs], M[pos_idxs], axis=0),
58
- np.repeat(C[neg_idxs], -M[neg_idxs], axis=0),
59
- ]
60
- )
61
- return XX
62
-
63
-
64
- def _compute_signed_measure_projections(X, num_directions, scales):
65
- """
66
- This is a function for projecting the points of a list of signed measures onto a fixed number of lines sampled uniformly. This function can be used as a preprocessing step in order to speed up the running time for computing all pairwise sliced Wasserstein distances on a list of signed measures.
67
-
68
- Parameters:
69
- X (list of n tuples): list of signed measures.
70
- num_directions (int): number of lines evenly sampled from [-pi/2,pi/2] in order to approximate and speed up the distance computation.
71
- scales (array of shape D): scales associated to the dimensions.
72
-
73
- Returns:
74
- list of n pairs of numpy arrays of shape (num x num_directions): list of positive and negative projected signed measures.
75
- """
76
- dimension = X[0][0].shape[1]
77
- np.random.seed(42)
78
- thetas = np.random.normal(0, 1, [num_directions, dimension])
79
- lines = (thetas / np.linalg.norm(thetas, axis=1)[:, None]).T
80
- weights = (
81
- np.linalg.norm(np.multiply(scales[:, None], lines), axis=0)
82
- if scales is not None
83
- else np.ones(num_directions)
84
- )
85
- XX = []
86
- for C, M in X:
87
- pos_idxs = np.argwhere(M > 0).ravel()
88
- neg_idxs = np.setdiff1d(np.arange(len(M)), pos_idxs)
89
- XX.append(
90
- [
91
- np.matmul(np.repeat(C[pos_idxs], M[pos_idxs], axis=0), lines),
92
- np.matmul(np.repeat(C[neg_idxs], -M[neg_idxs], axis=0), lines),
93
- weights,
94
- ]
95
- )
96
- return XX
97
-
98
-
99
- def pairwise_signed_measure_distances(
100
- X, Y=None, metric="sliced_wasserstein", n_jobs=None, **kwargs
101
- ):
102
- """
103
- This function computes the distance matrix between two lists of signed measures given as numpy arrays of shape (nxD).
104
-
105
- Parameters:
106
- X (list of n tuples): first list of signed measures.
107
- Y (list of m tuples): second list of signed measures (optional). If None, pairwise distances are computed from the first list only.
108
- metric: distance to use. It can be either a string ("sliced_wasserstein", "wasserstein") or a function taking two tuples as inputs. If it is a function, make sure that it is symmetric and that it outputs 0 if called on the same two tuples.
109
- n_jobs (int): number of jobs to use for the computation. This uses joblib.Parallel(prefer="threads"), so metrics that do not release the GIL may not scale unless run inside a `joblib.parallel_backend <https://joblib.readthedocs.io/en/latest/parallel.html#joblib.parallel_backend>`_ block.
110
- **kwargs: optional keyword parameters. Any further parameters are passed directly to the distance function. See the docs of the various distance classes in this module.
111
-
112
- Returns:
113
- numpy array of shape (nxm): distance matrix
114
- """
115
- XX = np.reshape(np.arange(len(X)), [-1, 1])
116
- YY = None if Y is None or Y is X else np.reshape(
117
- np.arange(len(Y)), [-1, 1])
118
- if metric == "sliced_wasserstein":
119
- Xproj = _compute_signed_measure_projections(X, **kwargs)
120
- Yproj = None if Y is None else _compute_signed_measure_projections(
121
- Y, **kwargs)
122
- return _pairwise(
123
- pairwise_distances,
124
- True,
125
- XX,
126
- YY,
127
- metric=_sklearn_wrapper(
128
- _sliced_wasserstein_distance_on_projections, Xproj, Yproj
129
- ),
130
- n_jobs=n_jobs,
131
- )
132
- elif metric == "wasserstein":
133
- Xproj = _compute_signed_measure_parts(X)
134
- Yproj = None if Y is None else _compute_signed_measure_parts(Y)
135
- return _pairwise(
136
- pairwise_distances,
137
- True,
138
- XX,
139
- YY,
140
- metric=_sklearn_wrapper(
141
- _wasserstein_distance_on_parts(**kwargs), Xproj, Yproj
142
- ),
143
- n_jobs=n_jobs,
144
- )
145
- else:
146
- return _pairwise(
147
- pairwise_distances,
148
- True,
149
- XX,
150
- YY,
151
- metric=_sklearn_wrapper(metric, X, Y, **kwargs),
152
- n_jobs=n_jobs,
153
- )
154
-
155
-
156
- def _wasserstein_distance_on_parts(ground_norm=1, epsilon=1.0):
157
- """
158
- This is a function for computing the Wasserstein distance between two signed measures that have already been separated into their positive and negative parts.
159
-
160
- Parameters:
161
- meas1: pair of (n x dimension) numpy.arrays containing the points of the positive and negative parts of the first measure.
162
- meas2: pair of (m x dimension) numpy.arrays containing the points of the positive and negative parts of the second measure.
163
-
164
- Returns:
165
- float: the sliced Wasserstein distance between the projected signed measures.
166
- """
167
-
168
- def metric(meas1, meas2):
169
- meas1_plus, meas1_minus = meas1[0], meas1[1]
170
- meas2_plus, meas2_minus = meas2[0], meas2[1]
171
- num_pts = len(meas1_plus) + len(meas2_minus)
172
- meas_t1 = np.vstack([meas1_plus, meas2_minus])
173
- meas_t2 = np.vstack([meas2_plus, meas1_minus])
174
- import ot
175
-
176
- if epsilon > 0:
177
- wass = ot.sinkhorn2(
178
- 1 / num_pts * np.ones(num_pts),
179
- 1 / num_pts * np.ones(num_pts),
180
- pairwise_distances(
181
- meas_t1, meas_t2, metric="minkowski", p=ground_norm),
182
- epsilon,
183
- )
184
- return wass[0]
185
- else:
186
- wass = ot.lp.emd2(
187
- [],
188
- [],
189
- np.ascontiguousarray(
190
- pairwise_distances(
191
- meas_t1, meas_t2, metric="minkowski", p=ground_norm
192
- ),
193
- dtype=np.float64,
194
- ),
195
- )
196
- return wass
197
-
198
- return metric
199
-
200
-
201
- def _sliced_wasserstein_distance_on_projections(meas1, meas2, scales=None):
202
- """
203
- This is a function for computing the sliced Wasserstein distance between two signed measures that have already been projected onto some lines. It simply amounts to comparing the sorted projections with the 1-norm, and averaging over the lines. See http://proceedings.mlr.press/v70/carriere17a.html for more details.
204
-
205
- Parameters:
206
- meas1: pair of (n x number_of_lines) numpy.arrays containing the projected points of the positive and negative parts of the first measure.
207
- meas2: pair of (m x number_of_lines) numpy.arrays containing the projected points of the positive and negative parts of the second measure.
208
- scales (array of shape D): scales associated to the dimensions.
209
-
210
- Returns:
211
- float: the sliced Wasserstein distance between the projected signed measures.
212
- """
213
- # assert np.array_equal( meas1[2], meas2[2] )
214
- weights = meas1[2]
215
- meas1_plus, meas1_minus = meas1[0], meas1[1]
216
- meas2_plus, meas2_minus = meas2[0], meas2[1]
217
- A = np.sort(np.vstack([meas1_plus, meas2_minus]), axis=0)
218
- B = np.sort(np.vstack([meas2_plus, meas1_minus]), axis=0)
219
- L1 = np.sum(np.abs(A - B), axis=0)
220
- return np.mean(np.multiply(L1, weights))
221
-
222
-
223
- def _sliced_wasserstein_distance(meas1, meas2, num_directions, scales=None):
224
- """
225
- This is a function for computing the sliced Wasserstein distance from two signed measures. The Sliced Wasserstein distance is computed by projecting the signed measures onto lines, comparing the projections with the 1-norm, and finally averaging over the lines. See http://proceedings.mlr.press/v70/carriere17a.html for more details.
226
-
227
- Parameters:
228
- meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
229
- meas2: ((m x D), (m)) tuple encoding the second measure.
230
- num_directions (int): number of lines evenly sampled from [-pi/2,pi/2] in order to approximate and speed up the distance computation.
231
- scales (array of shape D): scales associated to the dimensions.
232
-
233
- Returns:
234
- float: the sliced Wasserstein distance between signed measures.
235
- """
236
- C1, M1 = meas1[0], meas1[1]
237
- C2, M2 = meas2[0], meas2[1]
238
- dimension = C1.shape[1]
239
- C1_plus_idxs, C2_plus_idxs = (
240
- np.argwhere(M1 > 0).ravel(),
241
- np.argwhere(M2 > 0).ravel(),
242
- )
243
- C1_minus_idxs, C2_minus_idxs = (
244
- np.setdiff1d(np.arange(len(M1)), C1_plus_idxs),
245
- np.setdiff1d(np.arange(len(M2)), C2_plus_idxs),
246
- )
247
- np.random.seed(42)
248
- thetas = np.random.normal(0, 1, [num_directions, dimension])
249
- lines = (thetas / np.linalg.norm(thetas, axis=1)[:, None]).T
250
- weights = (
251
- np.linalg.norm(np.multiply(scales[:, None], lines), axis=0)
252
- if scales is not None
253
- else np.ones(num_directions)
254
- )
255
- approx1 = np.matmul(
256
- np.vstack(
257
- [
258
- np.repeat(C1[C1_plus_idxs], M1[C1_plus_idxs], axis=0),
259
- np.repeat(C2[C2_minus_idxs], -M2[C2_minus_idxs], axis=0),
260
- ]
261
- ),
262
- lines,
263
- )
264
- approx2 = np.matmul(
265
- np.vstack(
266
- [
267
- np.repeat(C2[C2_plus_idxs], M2[C2_plus_idxs], axis=0),
268
- np.repeat(C1[C1_minus_idxs], -M1[C1_minus_idxs], axis=0),
269
- ]
270
- ),
271
- lines,
272
- )
273
- A = np.sort(approx1, axis=0)
274
- B = np.sort(approx2, axis=0)
275
- L1 = np.sum(np.abs(A - B), axis=0)
276
- return np.mean(np.multiply(L1, weights))
277
-
278
-
279
- def _wasserstein_distance(meas1, meas2, epsilon, ground_norm):
280
- """
281
- This is a function for computing the Wasserstein distance from two signed measures.
282
-
283
- Parameters:
284
- meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
285
- meas2: ((m x D), (m)) tuple encoding the second measure.
286
- epsilon (float): entropy regularization parameter.
287
- ground_norm (int): norm to use for ground metric cost.
288
-
289
- Returns:
290
- float: the Wasserstein distance between signed measures.
291
- """
292
- C1, M1 = meas1[0], meas1[1]
293
- C2, M2 = meas2[0], meas2[1]
294
- C1_plus_idxs, C2_plus_idxs = (
295
- np.argwhere(M1 > 0).ravel(),
296
- np.argwhere(M2 > 0).ravel(),
297
- )
298
- C1_minus_idxs, C2_minus_idxs = (
299
- np.setdiff1d(np.arange(len(M1)), C1_plus_idxs),
300
- np.setdiff1d(np.arange(len(M2)), C2_plus_idxs),
301
- )
302
- approx1 = np.vstack(
303
- [
304
- np.repeat(C1[C1_plus_idxs], M1[C1_plus_idxs], axis=0),
305
- np.repeat(C2[C2_minus_idxs], -M2[C2_minus_idxs], axis=0),
306
- ]
307
- )
308
- approx2 = np.vstack(
309
- [
310
- np.repeat(C2[C2_plus_idxs], M2[C2_plus_idxs], axis=0),
311
- np.repeat(C1[C1_minus_idxs], -M1[C1_minus_idxs], axis=0),
312
- ]
313
- )
314
- num_pts = len(approx1)
315
- import ot
316
-
317
- if epsilon > 0:
318
- wass = ot.sinkhorn2(
319
- 1 / num_pts * np.ones(num_pts),
320
- 1 / num_pts * np.ones(num_pts),
321
- pairwise_distances(
322
- approx1, approx2, metric="minkowski", p=ground_norm),
323
- epsilon,
324
- )
325
- return wass[0]
326
- else:
327
- wass = ot.lp.emd2(
328
- 1 / num_pts * np.ones(num_pts),
329
- 1 / num_pts * np.ones(num_pts),
330
- pairwise_distances(
331
- approx1, approx2, metric="minkowski", p=ground_norm),
332
- )
333
- return wass
334
-
335
-
336
- class SlicedWassersteinDistance(BaseEstimator, TransformerMixin):
337
- """
338
- This is a class for computing the sliced Wasserstein distance matrix from a list of signed measures. The Sliced Wasserstein distance is computed by projecting the signed measures onto lines, comparing the projections with the 1-norm, and finally integrating over all possible lines. See http://proceedings.mlr.press/v70/carriere17a.html for more details.
339
- """
340
-
341
- def __init__(self, num_directions=10, scales=None, n_jobs=None):
342
- """
343
- Constructor for the SlicedWassersteinDistance class.
344
-
345
- Parameters:
346
- num_directions (int): number of lines evenly sampled in order to approximate and speed up the distance computation (default 10).
347
- scales (array of shape D): scales associated to the dimensions.
348
- n_jobs (int): number of jobs to use for the computation. See :func:`pairwise_signed_measure_distances` for details.
349
- """
350
- self.num_directions = num_directions
351
- self.scales = scales
352
- self.n_jobs = n_jobs
353
-
354
- def fit(self, X, y=None):
355
- """
356
- Fit the SlicedWassersteinDistance class on a list of signed measures: signed measures are projected onto the different lines. The measures themselves are then stored in numpy arrays, called **measures_**.
357
-
358
- Parameters:
359
- X (list of tuples): input signed measures.
360
- y (n x 1 array): signed measure labels (unused).
361
- """
362
- self.measures_ = X
363
- return self
364
-
365
- def transform(self, X):
366
- """
367
- Compute all sliced Wasserstein distances between the signed measures that were stored after calling the fit() method, and a given list of (possibly different) signed measures.
368
-
369
- Parameters:
370
- X (list of tuples): input signed measures.
371
-
372
- Returns:
373
- numpy array of shape (number of measures in **measures**) x (number of measures in X): matrix of pairwise sliced Wasserstein distances.
374
- """
375
- return pairwise_signed_measure_distances(
376
- X,
377
- self.measures_,
378
- metric="sliced_wasserstein",
379
- num_directions=self.num_directions,
380
- scales=self.scales,
381
- n_jobs=self.n_jobs,
382
- )
383
-
384
- def __call__(self, meas1, meas2):
385
- """
386
- Apply SlicedWassersteinDistance on a single pair of signed measures and outputs the result.
387
-
388
- Parameters:
389
- meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
390
- meas2: ((m x D), (m)) tuple encoding the second measure.
391
-
392
- Returns:
393
- float: sliced Wasserstein distance.
394
- """
395
- return _sliced_wasserstein_distance(
396
- meas1, meas2, num_directions=self.num_directions, scales=self.scales
397
- )
398
-
399
-
400
- class WassersteinDistance(BaseEstimator, TransformerMixin):
401
- """
402
- This is a class for computing the Wasserstein distance matrix from a list of signed measures.
403
- """
404
-
405
- def __init__(self, epsilon=1.0, ground_norm=1, n_jobs=None):
406
- """
407
- Constructor for the WassersteinDistance class.
408
-
409
- Parameters:
410
- epsilon (float): entropy regularization parameter.
411
- ground_norm (int): norm to use for ground metric cost.
412
- n_jobs (int): number of jobs to use for the computation. See :func:`pairwise_signed_measure_distances` for details.
413
- """
414
- self.epsilon = epsilon
415
- self.ground_norm = ground_norm
416
- self.n_jobs = n_jobs
417
-
418
- def fit(self, X, y=None):
419
- """
420
- Fit the WassersteinDistance class on a list of signed measures. The measures themselves are then stored in numpy arrays, called **measures_**.
421
-
422
- Parameters:
423
- X (list of tuples): input signed measures.
424
- y (n x 1 array): signed measure labels (unused).
425
- """
426
- self.measures_ = X
427
- return self
428
-
429
- def transform(self, X):
430
- """
431
- Compute all Wasserstein distances between the signed measures that were stored after calling the fit() method, and a given list of (possibly different) signed measures.
432
-
433
- Parameters:
434
- X (list of tuples): input signed measures.
435
-
436
- Returns:
437
- numpy array of shape (number of measures in **measures**) x (number of measures in X): matrix of pairwise Wasserstein distances.
438
- """
439
- return pairwise_signed_measure_distances(
440
- X,
441
- self.measures_,
442
- metric="wasserstein",
443
- epsilon=self.epsilon,
444
- ground_norm=self.ground_norm,
445
- n_jobs=self.n_jobs,
446
- )
447
-
448
- def __call__(self, meas1, meas2):
449
- """
450
- Apply WassersteinDistance on a single pair of signed measures and outputs the result.
451
-
452
- Parameters:
453
- meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
454
- meas2: ((m x D), (m)) tuple encoding the second measure.
455
-
456
- Returns:
457
- float: Wasserstein distance.
458
- """
459
- return _wasserstein_distance(
460
- meas1, meas2, epsilon=self.epsilon, ground_norm=self.ground_norm
461
- )
1
+ # This code was written by Mathieu Carrière.
2
+
3
+ import numpy as np
4
+ from sklearn.base import BaseEstimator, TransformerMixin
5
+ from sklearn.metrics import pairwise_distances, pairwise_kernels
6
+ from joblib import Parallel, delayed
7
+
8
+
9
+ def _pairwise(fallback, skipdiag, X, Y, metric, n_jobs):
10
+ if Y is not None:
11
+ return fallback(X, Y, metric=metric, n_jobs=n_jobs)
12
+ triu = np.triu_indices(len(X), k=skipdiag)
13
+ tril = (triu[1], triu[0])
14
+ par = Parallel(n_jobs=n_jobs, prefer="threads")
15
+ d = par(delayed(metric)([triu[0][i]], [triu[1][i]])
16
+ for i in range(len(triu[0])))
17
+ m = np.empty((len(X), len(X)))
18
+ m[triu] = d
19
+ m[tril] = d
20
+ if skipdiag:
21
+ np.fill_diagonal(m, 0)
22
+ return m
23
+
24
+
25
+ def _sklearn_wrapper(metric, X, Y, **kwargs):
26
+ """
27
+ This function is a wrapper for any metric between two signed measures that takes two numpy arrays of shapes (nxD) and (mxD) as arguments.
28
+ """
29
+ if Y is None:
30
+
31
+ def flat_metric(a, b):
32
+ return metric(X[int(a[0])], X[int(b[0])], **kwargs)
33
+ else:
34
+
35
+ def flat_metric(a, b):
36
+ return metric(X[int(a[0])], Y[int(b[0])], **kwargs)
37
+
38
+ return flat_metric
39
+
40
+
41
+ def _compute_signed_measure_parts(X):
42
+ """
43
+ This is a function for separating the positive and negative points of a list of signed measures. This function can be used as a preprocessing step in order to speed up the running time for computing all pairwise (sliced) Wasserstein distances on a list of signed measures.
44
+
45
+ Parameters:
46
+ X (list of n tuples): list of signed measures.
47
+
48
+ Returns:
49
+ list of n pairs of numpy arrays of shape (num x dimension): list of positive and negative signed measures.
50
+ """
51
+ XX = []
52
+ for C, M in X:
53
+ pos_idxs = np.argwhere(M > 0).ravel()
54
+ neg_idxs = np.setdiff1d(np.arange(len(M)), pos_idxs)
55
+ XX.append(
56
+ [
57
+ np.repeat(C[pos_idxs], M[pos_idxs], axis=0),
58
+ np.repeat(C[neg_idxs], -M[neg_idxs], axis=0),
59
+ ]
60
+ )
61
+ return XX
62
+
63
+
64
+ def _compute_signed_measure_projections(X, num_directions, scales):
65
+ """
66
+ This is a function for projecting the points of a list of signed measures onto a fixed number of lines sampled uniformly. This function can be used as a preprocessing step in order to speed up the running time for computing all pairwise sliced Wasserstein distances on a list of signed measures.
67
+
68
+ Parameters:
69
+ X (list of n tuples): list of signed measures.
70
+ num_directions (int): number of lines evenly sampled from [-pi/2,pi/2] in order to approximate and speed up the distance computation.
71
+ scales (array of shape D): scales associated to the dimensions.
72
+
73
+ Returns:
74
+ list of n pairs of numpy arrays of shape (num x num_directions): list of positive and negative projected signed measures.
75
+ """
76
+ dimension = X[0][0].shape[1]
77
+ np.random.seed(42)
78
+ thetas = np.random.normal(0, 1, [num_directions, dimension])
79
+ lines = (thetas / np.linalg.norm(thetas, axis=1)[:, None]).T
80
+ weights = (
81
+ np.linalg.norm(np.multiply(scales[:, None], lines), axis=0)
82
+ if scales is not None
83
+ else np.ones(num_directions)
84
+ )
85
+ XX = []
86
+ for C, M in X:
87
+ pos_idxs = np.argwhere(M > 0).ravel()
88
+ neg_idxs = np.setdiff1d(np.arange(len(M)), pos_idxs)
89
+ XX.append(
90
+ [
91
+ np.matmul(np.repeat(C[pos_idxs], M[pos_idxs], axis=0), lines),
92
+ np.matmul(np.repeat(C[neg_idxs], -M[neg_idxs], axis=0), lines),
93
+ weights,
94
+ ]
95
+ )
96
+ return XX
97
+
98
+
99
+ def pairwise_signed_measure_distances(
100
+ X, Y=None, metric="sliced_wasserstein", n_jobs=None, **kwargs
101
+ ):
102
+ """
103
+ This function computes the distance matrix between two lists of signed measures given as numpy arrays of shape (nxD).
104
+
105
+ Parameters:
106
+ X (list of n tuples): first list of signed measures.
107
+ Y (list of m tuples): second list of signed measures (optional). If None, pairwise distances are computed from the first list only.
108
+ metric: distance to use. It can be either a string ("sliced_wasserstein", "wasserstein") or a function taking two tuples as inputs. If it is a function, make sure that it is symmetric and that it outputs 0 if called on the same two tuples.
109
+ n_jobs (int): number of jobs to use for the computation. This uses joblib.Parallel(prefer="threads"), so metrics that do not release the GIL may not scale unless run inside a `joblib.parallel_backend <https://joblib.readthedocs.io/en/latest/parallel.html#joblib.parallel_backend>`_ block.
110
+ **kwargs: optional keyword parameters. Any further parameters are passed directly to the distance function. See the docs of the various distance classes in this module.
111
+
112
+ Returns:
113
+ numpy array of shape (nxm): distance matrix
114
+ """
115
+ XX = np.reshape(np.arange(len(X)), [-1, 1])
116
+ YY = None if Y is None or Y is X else np.reshape(
117
+ np.arange(len(Y)), [-1, 1])
118
+ if metric == "sliced_wasserstein":
119
+ Xproj = _compute_signed_measure_projections(X, **kwargs)
120
+ Yproj = None if Y is None else _compute_signed_measure_projections(
121
+ Y, **kwargs)
122
+ return _pairwise(
123
+ pairwise_distances,
124
+ True,
125
+ XX,
126
+ YY,
127
+ metric=_sklearn_wrapper(
128
+ _sliced_wasserstein_distance_on_projections, Xproj, Yproj
129
+ ),
130
+ n_jobs=n_jobs,
131
+ )
132
+ elif metric == "wasserstein":
133
+ Xproj = _compute_signed_measure_parts(X)
134
+ Yproj = None if Y is None else _compute_signed_measure_parts(Y)
135
+ return _pairwise(
136
+ pairwise_distances,
137
+ True,
138
+ XX,
139
+ YY,
140
+ metric=_sklearn_wrapper(
141
+ _wasserstein_distance_on_parts(**kwargs), Xproj, Yproj
142
+ ),
143
+ n_jobs=n_jobs,
144
+ )
145
+ else:
146
+ return _pairwise(
147
+ pairwise_distances,
148
+ True,
149
+ XX,
150
+ YY,
151
+ metric=_sklearn_wrapper(metric, X, Y, **kwargs),
152
+ n_jobs=n_jobs,
153
+ )
154
+
155
+
156
+ def _wasserstein_distance_on_parts(ground_norm=1, epsilon=1.0):
157
+ """
158
+ This is a function for computing the Wasserstein distance between two signed measures that have already been separated into their positive and negative parts.
159
+
160
+ Parameters:
161
+ meas1: pair of (n x dimension) numpy.arrays containing the points of the positive and negative parts of the first measure.
162
+ meas2: pair of (m x dimension) numpy.arrays containing the points of the positive and negative parts of the second measure.
163
+
164
+ Returns:
165
+ float: the sliced Wasserstein distance between the projected signed measures.
166
+ """
167
+
168
+ def metric(meas1, meas2):
169
+ meas1_plus, meas1_minus = meas1[0], meas1[1]
170
+ meas2_plus, meas2_minus = meas2[0], meas2[1]
171
+ num_pts = len(meas1_plus) + len(meas2_minus)
172
+ meas_t1 = np.vstack([meas1_plus, meas2_minus])
173
+ meas_t2 = np.vstack([meas2_plus, meas1_minus])
174
+ import ot
175
+
176
+ if epsilon > 0:
177
+ wass = ot.sinkhorn2(
178
+ 1 / num_pts * np.ones(num_pts),
179
+ 1 / num_pts * np.ones(num_pts),
180
+ pairwise_distances(
181
+ meas_t1, meas_t2, metric="minkowski", p=ground_norm),
182
+ epsilon,
183
+ )
184
+ return wass[0]
185
+ else:
186
+ wass = ot.lp.emd2(
187
+ [],
188
+ [],
189
+ np.ascontiguousarray(
190
+ pairwise_distances(
191
+ meas_t1, meas_t2, metric="minkowski", p=ground_norm
192
+ ),
193
+ dtype=np.float64,
194
+ ),
195
+ )
196
+ return wass
197
+
198
+ return metric
199
+
200
+
201
+ def _sliced_wasserstein_distance_on_projections(meas1, meas2, scales=None):
202
+ """
203
+ This is a function for computing the sliced Wasserstein distance between two signed measures that have already been projected onto some lines. It simply amounts to comparing the sorted projections with the 1-norm, and averaging over the lines. See http://proceedings.mlr.press/v70/carriere17a.html for more details.
204
+
205
+ Parameters:
206
+ meas1: pair of (n x number_of_lines) numpy.arrays containing the projected points of the positive and negative parts of the first measure.
207
+ meas2: pair of (m x number_of_lines) numpy.arrays containing the projected points of the positive and negative parts of the second measure.
208
+ scales (array of shape D): scales associated to the dimensions.
209
+
210
+ Returns:
211
+ float: the sliced Wasserstein distance between the projected signed measures.
212
+ """
213
+ # assert np.array_equal( meas1[2], meas2[2] )
214
+ weights = meas1[2]
215
+ meas1_plus, meas1_minus = meas1[0], meas1[1]
216
+ meas2_plus, meas2_minus = meas2[0], meas2[1]
217
+ A = np.sort(np.vstack([meas1_plus, meas2_minus]), axis=0)
218
+ B = np.sort(np.vstack([meas2_plus, meas1_minus]), axis=0)
219
+ L1 = np.sum(np.abs(A - B), axis=0)
220
+ return np.mean(np.multiply(L1, weights))
221
+
222
+
223
+ def _sliced_wasserstein_distance(meas1, meas2, num_directions, scales=None):
224
+ """
225
+ This is a function for computing the sliced Wasserstein distance from two signed measures. The Sliced Wasserstein distance is computed by projecting the signed measures onto lines, comparing the projections with the 1-norm, and finally averaging over the lines. See http://proceedings.mlr.press/v70/carriere17a.html for more details.
226
+
227
+ Parameters:
228
+ meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
229
+ meas2: ((m x D), (m)) tuple encoding the second measure.
230
+ num_directions (int): number of lines evenly sampled from [-pi/2,pi/2] in order to approximate and speed up the distance computation.
231
+ scales (array of shape D): scales associated to the dimensions.
232
+
233
+ Returns:
234
+ float: the sliced Wasserstein distance between signed measures.
235
+ """
236
+ C1, M1 = meas1[0], meas1[1]
237
+ C2, M2 = meas2[0], meas2[1]
238
+ dimension = C1.shape[1]
239
+ C1_plus_idxs, C2_plus_idxs = (
240
+ np.argwhere(M1 > 0).ravel(),
241
+ np.argwhere(M2 > 0).ravel(),
242
+ )
243
+ C1_minus_idxs, C2_minus_idxs = (
244
+ np.setdiff1d(np.arange(len(M1)), C1_plus_idxs),
245
+ np.setdiff1d(np.arange(len(M2)), C2_plus_idxs),
246
+ )
247
+ np.random.seed(42)
248
+ thetas = np.random.normal(0, 1, [num_directions, dimension])
249
+ lines = (thetas / np.linalg.norm(thetas, axis=1)[:, None]).T
250
+ weights = (
251
+ np.linalg.norm(np.multiply(scales[:, None], lines), axis=0)
252
+ if scales is not None
253
+ else np.ones(num_directions)
254
+ )
255
+ approx1 = np.matmul(
256
+ np.vstack(
257
+ [
258
+ np.repeat(C1[C1_plus_idxs], M1[C1_plus_idxs], axis=0),
259
+ np.repeat(C2[C2_minus_idxs], -M2[C2_minus_idxs], axis=0),
260
+ ]
261
+ ),
262
+ lines,
263
+ )
264
+ approx2 = np.matmul(
265
+ np.vstack(
266
+ [
267
+ np.repeat(C2[C2_plus_idxs], M2[C2_plus_idxs], axis=0),
268
+ np.repeat(C1[C1_minus_idxs], -M1[C1_minus_idxs], axis=0),
269
+ ]
270
+ ),
271
+ lines,
272
+ )
273
+ A = np.sort(approx1, axis=0)
274
+ B = np.sort(approx2, axis=0)
275
+ L1 = np.sum(np.abs(A - B), axis=0)
276
+ return np.mean(np.multiply(L1, weights))
277
+
278
+
279
+ def _wasserstein_distance(meas1, meas2, epsilon, ground_norm):
280
+ """
281
+ This is a function for computing the Wasserstein distance from two signed measures.
282
+
283
+ Parameters:
284
+ meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
285
+ meas2: ((m x D), (m)) tuple encoding the second measure.
286
+ epsilon (float): entropy regularization parameter.
287
+ ground_norm (int): norm to use for ground metric cost.
288
+
289
+ Returns:
290
+ float: the Wasserstein distance between signed measures.
291
+ """
292
+ C1, M1 = meas1[0], meas1[1]
293
+ C2, M2 = meas2[0], meas2[1]
294
+ C1_plus_idxs, C2_plus_idxs = (
295
+ np.argwhere(M1 > 0).ravel(),
296
+ np.argwhere(M2 > 0).ravel(),
297
+ )
298
+ C1_minus_idxs, C2_minus_idxs = (
299
+ np.setdiff1d(np.arange(len(M1)), C1_plus_idxs),
300
+ np.setdiff1d(np.arange(len(M2)), C2_plus_idxs),
301
+ )
302
+ approx1 = np.vstack(
303
+ [
304
+ np.repeat(C1[C1_plus_idxs], M1[C1_plus_idxs], axis=0),
305
+ np.repeat(C2[C2_minus_idxs], -M2[C2_minus_idxs], axis=0),
306
+ ]
307
+ )
308
+ approx2 = np.vstack(
309
+ [
310
+ np.repeat(C2[C2_plus_idxs], M2[C2_plus_idxs], axis=0),
311
+ np.repeat(C1[C1_minus_idxs], -M1[C1_minus_idxs], axis=0),
312
+ ]
313
+ )
314
+ num_pts = len(approx1)
315
+ import ot
316
+
317
+ if epsilon > 0:
318
+ wass = ot.sinkhorn2(
319
+ 1 / num_pts * np.ones(num_pts),
320
+ 1 / num_pts * np.ones(num_pts),
321
+ pairwise_distances(
322
+ approx1, approx2, metric="minkowski", p=ground_norm),
323
+ epsilon,
324
+ )
325
+ return wass[0]
326
+ else:
327
+ wass = ot.lp.emd2(
328
+ 1 / num_pts * np.ones(num_pts),
329
+ 1 / num_pts * np.ones(num_pts),
330
+ pairwise_distances(
331
+ approx1, approx2, metric="minkowski", p=ground_norm),
332
+ )
333
+ return wass
334
+
335
+
336
+ class SlicedWassersteinDistance(BaseEstimator, TransformerMixin):
337
+ """
338
+ This is a class for computing the sliced Wasserstein distance matrix from a list of signed measures. The Sliced Wasserstein distance is computed by projecting the signed measures onto lines, comparing the projections with the 1-norm, and finally integrating over all possible lines. See http://proceedings.mlr.press/v70/carriere17a.html for more details.
339
+ """
340
+
341
+ def __init__(self, num_directions=10, scales=None, n_jobs=None):
342
+ """
343
+ Constructor for the SlicedWassersteinDistance class.
344
+
345
+ Parameters:
346
+ num_directions (int): number of lines evenly sampled in order to approximate and speed up the distance computation (default 10).
347
+ scales (array of shape D): scales associated to the dimensions.
348
+ n_jobs (int): number of jobs to use for the computation. See :func:`pairwise_signed_measure_distances` for details.
349
+ """
350
+ self.num_directions = num_directions
351
+ self.scales = scales
352
+ self.n_jobs = n_jobs
353
+
354
+ def fit(self, X, y=None):
355
+ """
356
+ Fit the SlicedWassersteinDistance class on a list of signed measures: signed measures are projected onto the different lines. The measures themselves are then stored in numpy arrays, called **measures_**.
357
+
358
+ Parameters:
359
+ X (list of tuples): input signed measures.
360
+ y (n x 1 array): signed measure labels (unused).
361
+ """
362
+ self.measures_ = X
363
+ return self
364
+
365
+ def transform(self, X):
366
+ """
367
+ Compute all sliced Wasserstein distances between the signed measures that were stored after calling the fit() method, and a given list of (possibly different) signed measures.
368
+
369
+ Parameters:
370
+ X (list of tuples): input signed measures.
371
+
372
+ Returns:
373
+ numpy array of shape (number of measures in **measures**) x (number of measures in X): matrix of pairwise sliced Wasserstein distances.
374
+ """
375
+ return pairwise_signed_measure_distances(
376
+ X,
377
+ self.measures_,
378
+ metric="sliced_wasserstein",
379
+ num_directions=self.num_directions,
380
+ scales=self.scales,
381
+ n_jobs=self.n_jobs,
382
+ )
383
+
384
+ def __call__(self, meas1, meas2):
385
+ """
386
+ Apply SlicedWassersteinDistance on a single pair of signed measures and outputs the result.
387
+
388
+ Parameters:
389
+ meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
390
+ meas2: ((m x D), (m)) tuple encoding the second measure.
391
+
392
+ Returns:
393
+ float: sliced Wasserstein distance.
394
+ """
395
+ return _sliced_wasserstein_distance(
396
+ meas1, meas2, num_directions=self.num_directions, scales=self.scales
397
+ )
398
+
399
+
400
+ class WassersteinDistance(BaseEstimator, TransformerMixin):
401
+ """
402
+ This is a class for computing the Wasserstein distance matrix from a list of signed measures.
403
+ """
404
+
405
+ def __init__(self, epsilon=1.0, ground_norm=1, n_jobs=None):
406
+ """
407
+ Constructor for the WassersteinDistance class.
408
+
409
+ Parameters:
410
+ epsilon (float): entropy regularization parameter.
411
+ ground_norm (int): norm to use for ground metric cost.
412
+ n_jobs (int): number of jobs to use for the computation. See :func:`pairwise_signed_measure_distances` for details.
413
+ """
414
+ self.epsilon = epsilon
415
+ self.ground_norm = ground_norm
416
+ self.n_jobs = n_jobs
417
+
418
+ def fit(self, X, y=None):
419
+ """
420
+ Fit the WassersteinDistance class on a list of signed measures. The measures themselves are then stored in numpy arrays, called **measures_**.
421
+
422
+ Parameters:
423
+ X (list of tuples): input signed measures.
424
+ y (n x 1 array): signed measure labels (unused).
425
+ """
426
+ self.measures_ = X
427
+ return self
428
+
429
+ def transform(self, X):
430
+ """
431
+ Compute all Wasserstein distances between the signed measures that were stored after calling the fit() method, and a given list of (possibly different) signed measures.
432
+
433
+ Parameters:
434
+ X (list of tuples): input signed measures.
435
+
436
+ Returns:
437
+ numpy array of shape (number of measures in **measures**) x (number of measures in X): matrix of pairwise Wasserstein distances.
438
+ """
439
+ return pairwise_signed_measure_distances(
440
+ X,
441
+ self.measures_,
442
+ metric="wasserstein",
443
+ epsilon=self.epsilon,
444
+ ground_norm=self.ground_norm,
445
+ n_jobs=self.n_jobs,
446
+ )
447
+
448
+ def __call__(self, meas1, meas2):
449
+ """
450
+ Apply WassersteinDistance on a single pair of signed measures and outputs the result.
451
+
452
+ Parameters:
453
+ meas1: ((n x D), (n)) tuple with numpy.array encoding the (finite points of the) first measure and their multiplicities. Must not contain essential points (i.e. with infinite coordinate).
454
+ meas2: ((m x D), (m)) tuple encoding the second measure.
455
+
456
+ Returns:
457
+ float: Wasserstein distance.
458
+ """
459
+ return _wasserstein_distance(
460
+ meas1, meas2, epsilon=self.epsilon, ground_norm=self.ground_norm
461
+ )