diff options
author | ROUVREAU Vincent <vincent.rouvreau@inria.fr> | 2020-11-18 08:03:56 +0100 |
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committer | ROUVREAU Vincent <vincent.rouvreau@inria.fr> | 2020-11-18 08:03:56 +0100 |
commit | 8b7a25482dfd9c38825e022d5f95135f0aade738 (patch) | |
tree | e986157f9921aa261a58c8d812f2802cab248310 /src/python | |
parent | d33eaa80b7c337fde11bb5db60df79fbc81fb483 (diff) | |
parent | ad5d38986542715e0a0518537afaadcda71d9c49 (diff) |
merge master and resolve conflicts
Diffstat (limited to 'src/python')
23 files changed, 269 insertions, 131 deletions
diff --git a/src/python/CMakeLists.txt b/src/python/CMakeLists.txt index 4f26481e..56b6876c 100644 --- a/src/python/CMakeLists.txt +++ b/src/python/CMakeLists.txt @@ -103,6 +103,9 @@ if(PYTHONINTERP_FOUND) if(EAGERPY_FOUND) add_gudhi_debug_info("EagerPy version ${EAGERPY_VERSION}") endif() + if(TENSORFLOW_FOUND) + add_gudhi_debug_info("TensorFlow version ${TENSORFLOW_VERSION}") + endif() set(GUDHI_PYTHON_EXTRA_COMPILE_ARGS "${GUDHI_PYTHON_EXTRA_COMPILE_ARGS}'-DBOOST_RESULT_OF_USE_DECLTYPE', ") set(GUDHI_PYTHON_EXTRA_COMPILE_ARGS "${GUDHI_PYTHON_EXTRA_COMPILE_ARGS}'-DBOOST_ALL_NO_LIB', ") @@ -342,29 +345,27 @@ if(PYTHONINTERP_FOUND) COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/alpha_rips_persistence_bottleneck_distance.py" -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -t 0.15 -d 3) - if(MATPLOTLIB_FOUND AND NUMPY_FOUND) - # Tangential - add_test(NAME tangential_complex_plain_homology_from_off_file_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/tangential_complex_plain_homology_from_off_file_example.py" - --no-diagram -i 2 -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off) - - add_gudhi_py_test(test_tangential_complex) - - # Witness complex AND Subsampling - add_test(NAME euclidean_strong_witness_complex_diagram_persistence_from_off_file_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/euclidean_strong_witness_complex_diagram_persistence_from_off_file_example.py" - --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -a 1.0 -n 20 -d 2) - - add_test(NAME euclidean_witness_complex_diagram_persistence_from_off_file_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/euclidean_witness_complex_diagram_persistence_from_off_file_example.py" - --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -a 1.0 -n 20 -d 2) - endif() + # Tangential + add_test(NAME tangential_complex_plain_homology_from_off_file_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/tangential_complex_plain_homology_from_off_file_example.py" + --no-diagram -i 2 -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off) + + add_gudhi_py_test(test_tangential_complex) + + # Witness complex + add_test(NAME euclidean_strong_witness_complex_diagram_persistence_from_off_file_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/euclidean_strong_witness_complex_diagram_persistence_from_off_file_example.py" + --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -a 1.0 -n 20 -d 2) + + add_test(NAME euclidean_witness_complex_diagram_persistence_from_off_file_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/euclidean_witness_complex_diagram_persistence_from_off_file_example.py" + --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -a 1.0 -n 20 -d 2) # Subsampling add_gudhi_py_test(test_subsampling) @@ -419,13 +420,11 @@ if(PYTHONINTERP_FOUND) WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/alpha_complex_from_points_example.py") - if(MATPLOTLIB_FOUND AND NUMPY_FOUND) - add_test(NAME alpha_complex_diagram_persistence_from_off_file_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/alpha_complex_diagram_persistence_from_off_file_example.py" - --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -a 0.6) - endif() + add_test(NAME alpha_complex_diagram_persistence_from_off_file_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/alpha_complex_diagram_persistence_from_off_file_example.py" + --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -a 0.6) add_gudhi_py_test(test_alpha_complex) endif (NOT CGAL_WITH_EIGEN3_VERSION VERSION_LESS 4.11.0) @@ -442,30 +441,26 @@ if(PYTHONINTERP_FOUND) ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/periodic_cubical_complex_barcode_persistence_from_perseus_file_example.py" --no-barcode -f ${CMAKE_SOURCE_DIR}/data/bitmap/CubicalTwoSphere.txt) - if(NUMPY_FOUND) - add_test(NAME random_cubical_complex_persistence_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/random_cubical_complex_persistence_example.py" - 10 10 10) - endif() + add_test(NAME random_cubical_complex_persistence_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/random_cubical_complex_persistence_example.py" + 10 10 10) add_gudhi_py_test(test_cubical_complex) # Rips - if(MATPLOTLIB_FOUND AND NUMPY_FOUND) - add_test(NAME rips_complex_diagram_persistence_from_distance_matrix_file_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/rips_complex_diagram_persistence_from_distance_matrix_file_example.py" - --no-diagram -f ${CMAKE_SOURCE_DIR}/data/distance_matrix/lower_triangular_distance_matrix.csv -e 12.0 -d 3) + add_test(NAME rips_complex_diagram_persistence_from_distance_matrix_file_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} "${CMAKE_CURRENT_SOURCE_DIR}/example/rips_complex_diagram_persistence_from_distance_matrix_file_example.py" + --no-diagram -f ${CMAKE_SOURCE_DIR}/data/distance_matrix/lower_triangular_distance_matrix.csv -e 12.0 -d 3) - add_test(NAME rips_complex_diagram_persistence_from_off_file_example_py_test - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" - ${PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/example/rips_complex_diagram_persistence_from_off_file_example.py - --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -e 0.25 -d 3) - endif() + add_test(NAME rips_complex_diagram_persistence_from_off_file_example_py_test + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} + COMMAND ${CMAKE_COMMAND} -E env "PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}" + ${PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/example/rips_complex_diagram_persistence_from_off_file_example.py + --no-diagram -f ${CMAKE_SOURCE_DIR}/data/points/tore3D_300.off -e 0.25 -d 3) add_test(NAME rips_complex_from_points_example_py_test WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} @@ -496,11 +491,17 @@ if(PYTHONINTERP_FOUND) # Wasserstein if(OT_FOUND AND PYBIND11_FOUND) - if(TORCH_FOUND AND EAGERPY_FOUND) + # EagerPy dependency because of enable_autodiff=True + if(EAGERPY_FOUND) add_gudhi_py_test(test_wasserstein_distance) endif() add_gudhi_py_test(test_wasserstein_barycenter) endif() + if(OT_FOUND) + if(TORCH_FOUND AND TENSORFLOW_FOUND AND EAGERPY_FOUND) + add_gudhi_py_test(test_wasserstein_with_tensors) + endif() + endif() # Representations if(SKLEARN_FOUND AND MATPLOTLIB_FOUND) diff --git a/src/python/doc/bottleneck_distance_user.rst b/src/python/doc/bottleneck_distance_user.rst index 6c6e08d9..7baa76cc 100644 --- a/src/python/doc/bottleneck_distance_user.rst +++ b/src/python/doc/bottleneck_distance_user.rst @@ -47,7 +47,7 @@ The following example explains how the distance is computed: :figclass: align-center The point (0, 13) is at distance 6.5 from the diagonal and more - specifically from the point (6.5, 6.5) + specifically from the point (6.5, 6.5). Basic example @@ -72,6 +72,6 @@ The output is: .. testoutput:: - Bottleneck distance approximation = 0.81 + Bottleneck distance approximation = 0.72 Bottleneck distance value = 0.75 diff --git a/src/python/doc/installation.rst b/src/python/doc/installation.rst index 78e1af73..66efe45a 100644 --- a/src/python/doc/installation.rst +++ b/src/python/doc/installation.rst @@ -40,7 +40,7 @@ different, and in particular the `python/` subdirectory is actually `src/python/ there. The library uses c++14 and requires `Boost <https://www.boost.org/>`_ :math:`\geq` 1.56.0, -`CMake <https://www.cmake.org/>`_ :math:`\geq` 3.1 to generate makefiles, +`CMake <https://www.cmake.org/>`_ :math:`\geq` 3.5 to generate makefiles, `NumPy <http://numpy.org>`_, `Cython <https://www.cython.org/>`_ and `pybind11 <https://github.com/pybind/pybind11>`_ to compile the GUDHI Python module. @@ -65,7 +65,7 @@ one can build the GUDHI Python module, by running the following commands in a te cd /path-to-gudhi/ mkdir build cd build/ - cmake .. + cmake -DCMAKE_BUILD_TYPE=Release .. cd python make @@ -394,6 +394,11 @@ mathematics, science, and engineering. :class:`~gudhi.point_cloud.knn.KNearestNeighbors` can use the Python package `SciPy <http://scipy.org>`_ as a backend if explicitly requested. +TensorFlow +---------- + +`TensorFlow <https://www.tensorflow.org>`_ is currently only used in some automatic differentiation tests. + Bug reports and contributions ***************************** diff --git a/src/python/doc/rips_complex_sum.inc b/src/python/doc/rips_complex_sum.inc index c123ea2a..2cb24990 100644 --- a/src/python/doc/rips_complex_sum.inc +++ b/src/python/doc/rips_complex_sum.inc @@ -1,14 +1,14 @@ .. table:: :widths: 30 40 30 - +----------------------------------------------------------------+------------------------------------------------------------------------+----------------------------------------------------------------------+ - | .. figure:: | The Vietoris-Rips complex is a simplicial complex built as the | :Authors: Clément Maria, Pawel Dlotko, Vincent Rouvreau, Marc Glisse | - | ../../doc/Rips_complex/rips_complex_representation.png | clique-complex of a proximity graph. | | - | :figclass: align-center | | :Since: GUDHI 2.0.0 | - | | We also provide sparse approximations, to speed-up the computation | | - | | of persistent homology, and weighted versions, which are more robust | :License: MIT | - | | to outliers. | | - | | | | - +----------------------------------------------------------------+------------------------------------------------------------------------+----------------------------------------------------------------------+ - | * :doc:`rips_complex_user` | * :doc:`rips_complex_ref` | - +----------------------------------------------------------------+-----------------------------------------------------------------------------------------------------------------------------------------------+ + +----------------------------------------------------------------+------------------------------------------------------------------------+----------------------------------------------------------------------------------+ + | .. figure:: | The Vietoris-Rips complex is a simplicial complex built as the | :Authors: Clément Maria, Pawel Dlotko, Vincent Rouvreau, Marc Glisse, Yuichi Ike | + | ../../doc/Rips_complex/rips_complex_representation.png | clique-complex of a proximity graph. | | + | :figclass: align-center | | :Since: GUDHI 2.0.0 | + | | We also provide sparse approximations, to speed-up the computation | | + | | of persistent homology, and weighted versions, which are more robust | :License: MIT | + | | to outliers. | | + | | | | + +----------------------------------------------------------------+------------------------------------------------------------------------+----------------------------------------------------------------------------------+ + | * :doc:`rips_complex_user` | * :doc:`rips_complex_ref` | + +----------------------------------------------------------------+-----------------------------------------------------------------------------------------------------------------------------------------------------------+ diff --git a/src/python/doc/rips_complex_user.rst b/src/python/doc/rips_complex_user.rst index 6048cc4e..27d218d4 100644 --- a/src/python/doc/rips_complex_user.rst +++ b/src/python/doc/rips_complex_user.rst @@ -7,9 +7,9 @@ Rips complex user manual Definition ---------- -==================================================================== ================================ ====================== -:Authors: Clément Maria, Pawel Dlotko, Vincent Rouvreau, Marc Glisse :Since: GUDHI 2.0.0 :License: GPL v3 -==================================================================== ================================ ====================== +================================================================================ ================================ ====================== +:Authors: Clément Maria, Pawel Dlotko, Vincent Rouvreau, Marc Glisse, Yuichi Ike :Since: GUDHI 2.0.0 :License: GPL v3 +================================================================================ ================================ ====================== +-------------------------------------------+----------------------------------------------------------------------+ | :doc:`rips_complex_user` | :doc:`rips_complex_ref` | diff --git a/src/python/example/alpha_complex_diagram_persistence_from_off_file_example.py b/src/python/example/alpha_complex_diagram_persistence_from_off_file_example.py index 727af4fa..1e0273b3 100755 --- a/src/python/example/alpha_complex_diagram_persistence_from_off_file_example.py +++ b/src/python/example/alpha_complex_diagram_persistence_from_off_file_example.py @@ -3,7 +3,6 @@ import argparse import errno import os -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - @@ -65,6 +64,7 @@ with open(args.file, "r") as f: print(simplex_tree.betti_numbers()) if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(diag, band=args.band) plot.show() else: diff --git a/src/python/example/euclidean_strong_witness_complex_diagram_persistence_from_off_file_example.py b/src/python/example/euclidean_strong_witness_complex_diagram_persistence_from_off_file_example.py index e1e572df..4e97cfe3 100755 --- a/src/python/example/euclidean_strong_witness_complex_diagram_persistence_from_off_file_example.py +++ b/src/python/example/euclidean_strong_witness_complex_diagram_persistence_from_off_file_example.py @@ -3,7 +3,6 @@ import argparse import errno import os -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - @@ -82,6 +81,7 @@ with open(args.file, "r") as f: print(simplex_tree.betti_numbers()) if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(diag, band=args.band) plot.show() else: diff --git a/src/python/example/euclidean_witness_complex_diagram_persistence_from_off_file_example.py b/src/python/example/euclidean_witness_complex_diagram_persistence_from_off_file_example.py index 58cb2bb5..29076c74 100755 --- a/src/python/example/euclidean_witness_complex_diagram_persistence_from_off_file_example.py +++ b/src/python/example/euclidean_witness_complex_diagram_persistence_from_off_file_example.py @@ -3,7 +3,6 @@ import argparse import errno import os -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - @@ -79,6 +78,7 @@ with open(args.file, "r") as f: print(simplex_tree.betti_numbers()) if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(diag, band=args.band) plot.show() else: diff --git a/src/python/example/periodic_cubical_complex_barcode_persistence_from_perseus_file_example.py b/src/python/example/periodic_cubical_complex_barcode_persistence_from_perseus_file_example.py index 499171df..ee3290c6 100755 --- a/src/python/example/periodic_cubical_complex_barcode_persistence_from_perseus_file_example.py +++ b/src/python/example/periodic_cubical_complex_barcode_persistence_from_perseus_file_example.py @@ -1,7 +1,6 @@ #!/usr/bin/env python import argparse -import matplotlib.pyplot as plot import errno import os import gudhi @@ -75,6 +74,7 @@ if is_file_perseus(args.file): print("betti_numbers()=") print(periodic_cubical_complex.betti_numbers()) if args.no_barcode == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_barcode(diag) plot.show() else: diff --git a/src/python/example/rips_complex_diagram_persistence_from_correlation_matrix_file_example.py b/src/python/example/rips_complex_diagram_persistence_from_correlation_matrix_file_example.py index 1acb187c..ea2eb7e1 100755 --- a/src/python/example/rips_complex_diagram_persistence_from_correlation_matrix_file_example.py +++ b/src/python/example/rips_complex_diagram_persistence_from_correlation_matrix_file_example.py @@ -2,7 +2,6 @@ import sys import argparse -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - which is released under MIT. @@ -84,5 +83,6 @@ invert_diag = [ ] if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(invert_diag, band=args.band) plot.show() diff --git a/src/python/example/rips_complex_diagram_persistence_from_distance_matrix_file_example.py b/src/python/example/rips_complex_diagram_persistence_from_distance_matrix_file_example.py index 79ccca96..236d085d 100755 --- a/src/python/example/rips_complex_diagram_persistence_from_distance_matrix_file_example.py +++ b/src/python/example/rips_complex_diagram_persistence_from_distance_matrix_file_example.py @@ -1,7 +1,6 @@ #!/usr/bin/env python import argparse -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - which is released under MIT. @@ -60,5 +59,6 @@ print("betti_numbers()=") print(simplex_tree.betti_numbers()) if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(diag, band=args.band) plot.show() diff --git a/src/python/example/rips_complex_diagram_persistence_from_off_file_example.py b/src/python/example/rips_complex_diagram_persistence_from_off_file_example.py index 6f992508..e80233a9 100755 --- a/src/python/example/rips_complex_diagram_persistence_from_off_file_example.py +++ b/src/python/example/rips_complex_diagram_persistence_from_off_file_example.py @@ -3,7 +3,6 @@ import argparse import errno import os -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - @@ -70,6 +69,7 @@ with open(args.file, "r") as f: print(simplex_tree.betti_numbers()) if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(diag, band=args.band) plot.show() else: diff --git a/src/python/example/tangential_complex_plain_homology_from_off_file_example.py b/src/python/example/tangential_complex_plain_homology_from_off_file_example.py index 85bade4a..a4b4e9f5 100755 --- a/src/python/example/tangential_complex_plain_homology_from_off_file_example.py +++ b/src/python/example/tangential_complex_plain_homology_from_off_file_example.py @@ -3,7 +3,6 @@ import argparse import errno import os -import matplotlib.pyplot as plot import gudhi """ This file is part of the Gudhi Library - https://gudhi.inria.fr/ - @@ -62,6 +61,7 @@ with open(args.file, "r") as f: print(st.betti_numbers()) if args.no_diagram == False: + import matplotlib.pyplot as plot gudhi.plot_persistence_diagram(diag, band=args.band) plot.show() else: diff --git a/src/python/gudhi/representations/vector_methods.py b/src/python/gudhi/representations/vector_methods.py index 5ca127f6..cdcb1fde 100644 --- a/src/python/gudhi/representations/vector_methods.py +++ b/src/python/gudhi/representations/vector_methods.py @@ -323,22 +323,15 @@ class BettiCurve(BaseEstimator, TransformerMixin): Returns: numpy array with shape (number of diagrams) x (**resolution**): output Betti curves. """ - num_diag, Xfit = len(X), [] + Xfit = [] x_values = np.linspace(self.sample_range[0], self.sample_range[1], self.resolution) step_x = x_values[1] - x_values[0] - for i in range(num_diag): - - diagram, num_pts_in_diag = X[i], X[i].shape[0] - + for diagram in X: + diagram_int = np.clip(np.ceil((diagram[:,:2] - self.sample_range[0]) / step_x), 0, self.resolution).astype(int) bc = np.zeros(self.resolution) - for j in range(num_pts_in_diag): - [px,py] = diagram[j,:2] - min_idx = np.clip(np.ceil((px - self.sample_range[0]) / step_x).astype(int), 0, self.resolution) - max_idx = np.clip(np.ceil((py - self.sample_range[0]) / step_x).astype(int), 0, self.resolution) - for k in range(min_idx, max_idx): - bc[k] += 1 - + for interval in diagram_int: + bc[interval[0]:interval[1]] += 1 Xfit.append(np.reshape(bc,[1,-1])) Xfit = np.concatenate(Xfit, 0) diff --git a/src/python/gudhi/simplex_tree.pxd b/src/python/gudhi/simplex_tree.pxd index 75e94e0b..3c4cbed3 100644 --- a/src/python/gudhi/simplex_tree.pxd +++ b/src/python/gudhi/simplex_tree.pxd @@ -36,6 +36,12 @@ cdef extern from "Simplex_tree_interface.h" namespace "Gudhi": Simplex_tree_skeleton_iterator operator++() nogil bint operator!=(Simplex_tree_skeleton_iterator) nogil + cdef cppclass Simplex_tree_boundary_iterator "Gudhi::Simplex_tree_interface<Gudhi::Simplex_tree_options_full_featured>::Boundary_simplex_iterator": + Simplex_tree_boundary_iterator() nogil + Simplex_tree_simplex_handle& operator*() nogil + Simplex_tree_boundary_iterator operator++() nogil + bint operator!=(Simplex_tree_boundary_iterator) nogil + cdef cppclass Simplex_tree_interface_full_featured "Gudhi::Simplex_tree_interface<Gudhi::Simplex_tree_options_full_featured>": Simplex_tree() nogil @@ -58,6 +64,7 @@ cdef extern from "Simplex_tree_interface.h" namespace "Gudhi": void compute_extended_filtration() nogil vector[vector[pair[int, pair[double, double]]]] compute_extended_persistence_subdiagrams(vector[pair[int, pair[double, double]]] dgm, double min_persistence) nogil Simplex_tree_interface_full_featured* collapse_edges(int nb_collapse_iteration) nogil + void reset_filtration(double filtration, int dimension) nogil # Iterators over Simplex tree pair[vector[int], double] get_simplex_and_filtration(Simplex_tree_simplex_handle f_simplex) nogil Simplex_tree_simplices_iterator get_simplices_iterator_begin() nogil @@ -66,6 +73,7 @@ cdef extern from "Simplex_tree_interface.h" namespace "Gudhi": vector[Simplex_tree_simplex_handle].const_iterator get_filtration_iterator_end() nogil Simplex_tree_skeleton_iterator get_skeleton_iterator_begin(int dimension) nogil Simplex_tree_skeleton_iterator get_skeleton_iterator_end(int dimension) nogil + pair[Simplex_tree_boundary_iterator, Simplex_tree_boundary_iterator] get_boundary_iterators(vector[int] simplex) nogil except + cdef extern from "Persistent_cohomology_interface.h" namespace "Gudhi": cdef cppclass Simplex_tree_persistence_interface "Gudhi::Persistent_cohomology_interface<Gudhi::Simplex_tree<Gudhi::Simplex_tree_options_full_featured>>": diff --git a/src/python/gudhi/simplex_tree.pyx b/src/python/gudhi/simplex_tree.pyx index 92645ffc..cdd2e87b 100644 --- a/src/python/gudhi/simplex_tree.pyx +++ b/src/python/gudhi/simplex_tree.pyx @@ -285,6 +285,22 @@ cdef class SimplexTree: ct.append((v, filtered_simplex.second)) return ct + def get_boundaries(self, simplex): + """This function returns a generator with the boundaries of a given N-simplex. + If you do not need the filtration values, the boundary can also be obtained as + :code:`itertools.combinations(simplex,len(simplex)-1)`. + + :param simplex: The N-simplex, represented by a list of vertex. + :type simplex: list of int. + :returns: The (simplices of the) boundary of a simplex + :rtype: generator with tuples(simplex, filtration) + """ + cdef pair[Simplex_tree_boundary_iterator, Simplex_tree_boundary_iterator] it = self.get_ptr().get_boundary_iterators(simplex) + + while it.first != it.second: + yield self.get_ptr().get_simplex_and_filtration(dereference(it.first)) + preincrement(it.first) + def remove_maximal_simplex(self, simplex): """This function removes a given maximal N-simplex from the simplicial complex. @@ -328,7 +344,7 @@ cdef class SimplexTree: return self.get_ptr().prune_above_filtration(filtration) def expansion(self, max_dim): - """Expands the Simplex_tree containing only its one skeleton + """Expands the simplex tree containing only its one skeleton until dimension max_dim. The expanded simplicial complex until dimension :math:`d` @@ -338,7 +354,7 @@ cdef class SimplexTree: The filtration value assigned to a simplex is the maximal filtration value of one of its edges. - The Simplex_tree must contain no simplex of dimension bigger than + The simplex tree must contain no simplex of dimension bigger than 1 when calling the method. :param max_dim: The maximal dimension. @@ -358,6 +374,20 @@ cdef class SimplexTree: """ return self.get_ptr().make_filtration_non_decreasing() + def reset_filtration(self, filtration, min_dim = 0): + """This function resets the filtration value of all the simplices of dimension at least min_dim. Resets all the + simplex tree when `min_dim = 0`. + `reset_filtration` may break the filtration property with `min_dim > 0`, and it is the user's responsibility to + make it a valid filtration (using a large enough `filt_value`, or calling `make_filtration_non_decreasing` + afterwards for instance). + + :param filtration: New threshold value. + :type filtration: float. + :param min_dim: The minimal dimension. Default value is 0. + :type min_dim: int. + """ + self.get_ptr().reset_filtration(filtration, min_dim) + def extend_filtration(self): """ Extend filtration for computing extended persistence. This function only uses the filtration values at the 0-dimensional simplices, and computes the extended persistence diagram induced by the lower-star filtration @@ -365,12 +395,12 @@ cdef class SimplexTree: .. note:: - Note that after calling this function, the filtration values are actually modified within the Simplex_tree. + Note that after calling this function, the filtration values are actually modified within the simplex tree. The function :func:`extended_persistence` retrieves the original values. .. note:: - Note that this code creates an extra vertex internally, so you should make sure that the Simplex_tree does + Note that this code creates an extra vertex internally, so you should make sure that the simplex tree does not contain a vertex with the largest possible value (i.e., 4294967295). This `notebook <https://github.com/GUDHI/TDA-tutorial/blob/master/Tuto-GUDHI-extended-persistence.ipynb>`_ diff --git a/src/python/gudhi/subsampling.pyx b/src/python/gudhi/subsampling.pyx index f77c6f75..b11d07e5 100644 --- a/src/python/gudhi/subsampling.pyx +++ b/src/python/gudhi/subsampling.pyx @@ -33,7 +33,7 @@ def choose_n_farthest_points(points=None, off_file='', nb_points=0, starting_poi The iteration starts with the landmark `starting point`. :param points: The input point set. - :type points: Iterable[Iterable[float]]. + :type points: Iterable[Iterable[float]] Or @@ -42,14 +42,15 @@ def choose_n_farthest_points(points=None, off_file='', nb_points=0, starting_poi And in both cases - :param nb_points: Number of points of the subsample. - :type nb_points: unsigned. + :param nb_points: Number of points of the subsample (the subsample may be \ + smaller if there are fewer than nb_points distinct input points) + :type nb_points: int :param starting_point: The iteration starts with the landmark `starting \ - point`,which is the index of the point to start with. If not set, this \ + point`, which is the index of the point to start with. If not set, this \ index is chosen randomly. - :type starting_point: unsigned. + :type starting_point: int :returns: The subsample point set. - :rtype: List[List[float]]. + :rtype: List[List[float]] """ if off_file: if os.path.isfile(off_file): @@ -76,7 +77,7 @@ def pick_n_random_points(points=None, off_file='', nb_points=0): """Subsample a point set by picking random vertices. :param points: The input point set. - :type points: Iterable[Iterable[float]]. + :type points: Iterable[Iterable[float]] Or @@ -86,7 +87,7 @@ def pick_n_random_points(points=None, off_file='', nb_points=0): And in both cases :param nb_points: Number of points of the subsample. - :type nb_points: unsigned. + :type nb_points: int :returns: The subsample point set. :rtype: List[List[float]] """ @@ -107,7 +108,7 @@ def sparsify_point_set(points=None, off_file='', min_squared_dist=0.0): between any two points is greater than or equal to min_squared_dist. :param points: The input point set. - :type points: Iterable[Iterable[float]]. + :type points: Iterable[Iterable[float]] Or @@ -118,7 +119,7 @@ def sparsify_point_set(points=None, off_file='', min_squared_dist=0.0): :param min_squared_dist: Minimum squared distance separating the output \ points. - :type min_squared_dist: float. + :type min_squared_dist: float :returns: The subsample point set. :rtype: List[List[float]] """ diff --git a/src/python/include/Simplex_tree_interface.h b/src/python/include/Simplex_tree_interface.h index e288a8cf..baff3850 100644 --- a/src/python/include/Simplex_tree_interface.h +++ b/src/python/include/Simplex_tree_interface.h @@ -39,6 +39,7 @@ class Simplex_tree_interface : public Simplex_tree<SimplexTreeOptions> { using Skeleton_simplex_iterator = typename Base::Skeleton_simplex_iterator; using Complex_simplex_iterator = typename Base::Complex_simplex_iterator; using Extended_filtration_data = typename Base::Extended_filtration_data; + using Boundary_simplex_iterator = typename Base::Boundary_simplex_iterator; public: @@ -219,6 +220,15 @@ class Simplex_tree_interface : public Simplex_tree<SimplexTreeOptions> { // this specific case works because the range is just a pair of iterators - won't work if range was a vector return Base::skeleton_simplex_range(dimension).end(); } + + std::pair<Boundary_simplex_iterator, Boundary_simplex_iterator> get_boundary_iterators(const Simplex& simplex) { + auto bd_sh = Base::find(simplex); + if (bd_sh == Base::null_simplex()) + throw std::runtime_error("simplex not found - cannot find boundaries"); + // this specific case works because the range is just a pair of iterators - won't work if range was a vector + auto boundary_srange = Base::boundary_simplex_range(bd_sh); + return std::make_pair(boundary_srange.begin(), boundary_srange.end()); + } }; } // namespace Gudhi diff --git a/src/python/test/test_bottleneck_distance.py b/src/python/test/test_bottleneck_distance.py index 6915bea8..07fcc9cc 100755 --- a/src/python/test/test_bottleneck_distance.py +++ b/src/python/test/test_bottleneck_distance.py @@ -25,3 +25,15 @@ def test_basic_bottleneck(): assert gudhi.bottleneck_distance(diag1, diag2, 0.1) == pytest.approx(0.75, abs=0.1) assert gudhi.hera.bottleneck_distance(diag1, diag2, 0) == 0.75 assert gudhi.hera.bottleneck_distance(diag1, diag2, 0.1) == pytest.approx(0.75, rel=0.1) + + import numpy as np + + # Translating both diagrams along the diagonal should not affect the distance, + # checks that negative numbers are not an issue + diag1 = np.array(diag1) - 100 + diag2 = np.array(diag2) - 100 + + assert gudhi.bottleneck_distance(diag1, diag2) == 0.75 + assert gudhi.bottleneck_distance(diag1, diag2, 0.1) == pytest.approx(0.75, abs=0.1) + assert gudhi.hera.bottleneck_distance(diag1, diag2, 0) == 0.75 + assert gudhi.hera.bottleneck_distance(diag1, diag2, 0.1) == pytest.approx(0.75, rel=0.1) diff --git a/src/python/test/test_representations.py b/src/python/test/test_representations.py index e5c211a0..43c914f3 100755 --- a/src/python/test/test_representations.py +++ b/src/python/test/test_representations.py @@ -39,11 +39,11 @@ def test_multiple(): d2 = BottleneckDistance(epsilon=0.00001).fit_transform(l1) d3 = pairwise_persistence_diagram_distances(l1, l1b, e=0.00001, n_jobs=4) assert d1 == pytest.approx(d2) - assert d3 == pytest.approx(d2, abs=1e-5) # Because of 0 entries (on the diagonal) + assert d3 == pytest.approx(d2, abs=1e-5) # Because of 0 entries (on the diagonal) d1 = pairwise_persistence_diagram_distances(l1, l2, metric="wasserstein", order=2, internal_p=2) d2 = WassersteinDistance(order=2, internal_p=2, n_jobs=4).fit(l2).transform(l1) print(d1.shape, d2.shape) - assert d1 == pytest.approx(d2, rel=.02) + assert d1 == pytest.approx(d2, rel=0.02) def test_dummy_atol(): @@ -53,8 +53,22 @@ def test_dummy_atol(): for weighting_method in ["cloud", "iidproba"]: for contrast in ["gaussian", "laplacian", "indicator"]: - atol_vectoriser = Atol(quantiser=KMeans(n_clusters=1, random_state=202006), weighting_method=weighting_method, contrast=contrast) + atol_vectoriser = Atol( + quantiser=KMeans(n_clusters=1, random_state=202006), + weighting_method=weighting_method, + contrast=contrast, + ) atol_vectoriser.fit([a, b, c]) atol_vectoriser(a) atol_vectoriser.transform(X=[a, b, c]) + +from gudhi.representations.vector_methods import BettiCurve + + +def test_infinity(): + a = np.array([[1.0, 8.0], [2.0, np.inf], [3.0, 4.0]]) + c = BettiCurve(20, [0.0, 10.0])(a) + assert c[1] == 0 + assert c[7] == 3 + assert c[9] == 2 diff --git a/src/python/test/test_simplex_tree.py b/src/python/test/test_simplex_tree.py index 83be0602..3b23fa0b 100755 --- a/src/python/test/test_simplex_tree.py +++ b/src/python/test/test_simplex_tree.py @@ -356,5 +356,46 @@ def test_collapse_edges(): st.collapse_edges() assert st.num_simplices() == 9 assert st.find([1, 3]) == False - for simplex in st.get_skeleton(0): - assert simplex[1] == 1. + for simplex in st.get_skeleton(0): + assert simplex[1] == 1. + +def test_reset_filtration(): + st = SimplexTree() + + assert st.insert([0, 1, 2], 3.) == True + assert st.insert([0, 3], 2.) == True + assert st.insert([3, 4, 5], 3.) == True + assert st.insert([0, 1, 6, 7], 4.) == True + + # Guaranteed by construction + for simplex in st.get_simplices(): + assert st.filtration(simplex[0]) >= 2. + + # dimension until 5 even if simplex tree is of dimension 3 to test the limits + for dimension in range(5, -1, -1): + st.reset_filtration(0., dimension) + for simplex in st.get_skeleton(3): + print(simplex) + if len(simplex[0]) < (dimension) + 1: + assert st.filtration(simplex[0]) >= 2. + else: + assert st.filtration(simplex[0]) == 0. + +def test_boundaries_iterator(): + st = SimplexTree() + + assert st.insert([0, 1, 2, 3], filtration=1.0) == True + assert st.insert([1, 2, 3, 4], filtration=2.0) == True + + assert list(st.get_boundaries([1, 2, 3])) == [([1, 2], 1.0), ([1, 3], 1.0), ([2, 3], 1.0)] + assert list(st.get_boundaries([2, 3, 4])) == [([2, 3], 1.0), ([2, 4], 2.0), ([3, 4], 2.0)] + assert list(st.get_boundaries([2])) == [] + + with pytest.raises(RuntimeError): + list(st.get_boundaries([])) + + with pytest.raises(RuntimeError): + list(st.get_boundaries([0, 4])) # (0, 4) does not exist + + with pytest.raises(RuntimeError): + list(st.get_boundaries([6])) # (6) does not exist diff --git a/src/python/test/test_wasserstein_distance.py b/src/python/test/test_wasserstein_distance.py index 90d26809..e3b521d6 100755 --- a/src/python/test/test_wasserstein_distance.py +++ b/src/python/test/test_wasserstein_distance.py @@ -97,27 +97,3 @@ def test_wasserstein_distance_pot(): def test_wasserstein_distance_hera(): _basic_wasserstein(hera_wrap(delta=1e-12), 1e-12, test_matching=False) _basic_wasserstein(hera_wrap(delta=.1), .1, test_matching=False) - -def test_wasserstein_distance_grad(): - import torch - - diag1 = torch.tensor([[2.7, 3.7], [9.6, 14.0], [34.2, 34.974]], requires_grad=True) - diag2 = torch.tensor([[2.8, 4.45], [9.5, 14.1]], requires_grad=True) - diag3 = torch.tensor([[2.8, 4.45], [9.5, 14.1]], requires_grad=True) - assert diag1.grad is None and diag2.grad is None and diag3.grad is None - dist12 = pot(diag1, diag2, internal_p=2, order=2, enable_autodiff=True) - dist30 = pot(diag3, torch.tensor([]), internal_p=2, order=2, enable_autodiff=True) - dist12.backward() - dist30.backward() - assert not torch.isnan(diag1.grad).any() and not torch.isnan(diag2.grad).any() and not torch.isnan(diag3.grad).any() - diag4 = torch.tensor([[0., 10.]], requires_grad=True) - diag5 = torch.tensor([[1., 11.], [3., 4.]], requires_grad=True) - dist45 = pot(diag4, diag5, internal_p=1, order=1, enable_autodiff=True) - assert dist45 == 3. - dist45.backward() - assert np.array_equal(diag4.grad, [[-1., -1.]]) - assert np.array_equal(diag5.grad, [[1., 1.], [-1., 1.]]) - diag6 = torch.tensor([[5., 10.]], requires_grad=True) - pot(diag6, diag6, internal_p=2, order=2, enable_autodiff=True).backward() - # https://github.com/jonasrauber/eagerpy/issues/6 - # assert np.array_equal(diag6.grad, [[0., 0.]]) diff --git a/src/python/test/test_wasserstein_with_tensors.py b/src/python/test/test_wasserstein_with_tensors.py new file mode 100755 index 00000000..e3f1411a --- /dev/null +++ b/src/python/test/test_wasserstein_with_tensors.py @@ -0,0 +1,47 @@ +""" 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): Mathieu Carriere + + Copyright (C) 2020 Inria + + Modification(s): + - YYYY/MM Author: Description of the modification +""" + +from gudhi.wasserstein import wasserstein_distance as pot +import numpy as np +import torch +import tensorflow as tf + +def test_wasserstein_distance_grad(): + diag1 = torch.tensor([[2.7, 3.7], [9.6, 14.0], [34.2, 34.974]], requires_grad=True) + diag2 = torch.tensor([[2.8, 4.45], [9.5, 14.1]], requires_grad=True) + diag3 = torch.tensor([[2.8, 4.45], [9.5, 14.1]], requires_grad=True) + assert diag1.grad is None and diag2.grad is None and diag3.grad is None + dist12 = pot(diag1, diag2, internal_p=2, order=2, enable_autodiff=True) + dist30 = pot(diag3, torch.tensor([]), internal_p=2, order=2, enable_autodiff=True) + dist12.backward() + dist30.backward() + assert not torch.isnan(diag1.grad).any() and not torch.isnan(diag2.grad).any() and not torch.isnan(diag3.grad).any() + diag4 = torch.tensor([[0., 10.]], requires_grad=True) + diag5 = torch.tensor([[1., 11.], [3., 4.]], requires_grad=True) + dist45 = pot(diag4, diag5, internal_p=1, order=1, enable_autodiff=True) + assert dist45 == 3. + dist45.backward() + assert np.array_equal(diag4.grad, [[-1., -1.]]) + assert np.array_equal(diag5.grad, [[1., 1.], [-1., 1.]]) + diag6 = torch.tensor([[5., 10.]], requires_grad=True) + pot(diag6, diag6, internal_p=2, order=2, enable_autodiff=True).backward() + # https://github.com/jonasrauber/eagerpy/issues/6 + # assert np.array_equal(diag6.grad, [[0., 0.]]) + +def test_wasserstein_distance_grad_tensorflow(): + with tf.GradientTape() as tape: + diag4 = tf.convert_to_tensor(tf.Variable(initial_value=np.array([[0., 10.]]), trainable=True)) + diag5 = tf.convert_to_tensor(tf.Variable(initial_value=np.array([[1., 11.], [3., 4.]]), trainable=True)) + dist45 = pot(diag4, diag5, internal_p=1, order=1, enable_autodiff=True) + assert dist45 == 3. + + grads = tape.gradient(dist45, [diag4, diag5]) + assert np.array_equal(grads[0].values, [[-1., -1.]]) + assert np.array_equal(grads[1].values, [[1., 1.], [-1., 1.]])
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