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Diffstat (limited to 'src/python/gudhi/simplex_tree.pyx')
| -rw-r--r-- | src/python/gudhi/simplex_tree.pyx | 360 |
1 files changed, 289 insertions, 71 deletions
diff --git a/src/python/gudhi/simplex_tree.pyx b/src/python/gudhi/simplex_tree.pyx index 9cb24221..4cf176f5 100644 --- a/src/python/gudhi/simplex_tree.pyx +++ b/src/python/gudhi/simplex_tree.pyx @@ -8,15 +8,27 @@ # - YYYY/MM Author: Description of the modification from cython.operator import dereference, preincrement -from libc.stdint cimport intptr_t -import numpy -from numpy import array as np_array -cimport simplex_tree +from libc.stdint cimport intptr_t, int32_t, int64_t +import numpy as np +cimport gudhi.simplex_tree +cimport cython +from numpy.math cimport INFINITY __author__ = "Vincent Rouvreau" __copyright__ = "Copyright (C) 2016 Inria" __license__ = "MIT" +ctypedef fused some_int: + int32_t + int64_t + +ctypedef fused some_float: + float + double + +cdef bool callback(vector[int] simplex, void *blocker_func): + return (<object>blocker_func)(simplex) + # SimplexTree python interface cdef class SimplexTree: """The simplex tree is an efficient and flexible data structure for @@ -39,13 +51,29 @@ cdef class SimplexTree: cdef Simplex_tree_persistence_interface * pcohptr # Fake constructor that does nothing but documenting the constructor - def __init__(self): + def __init__(self, other = None): """SimplexTree constructor. + + :param other: If `other` is `None` (default value), an empty `SimplexTree` is created. + If `other` is a `SimplexTree`, the `SimplexTree` is constructed from a deep copy of `other`. + :type other: SimplexTree (Optional) + :returns: An empty or a copy simplex tree. + :rtype: SimplexTree + + :raises TypeError: In case `other` is neither `None`, nor a `SimplexTree`. + :note: If the `SimplexTree` is a copy, the persistence information is not copied. If you need it in the clone, + you have to call :func:`compute_persistence` on it even if you had already computed it in the original. """ # The real cython constructor - def __cinit__(self): - self.thisptr = <intptr_t>(new Simplex_tree_interface_full_featured()) + def __cinit__(self, other = None): + if other: + if isinstance(other, SimplexTree): + self.thisptr = _get_copy_intptr(other) + else: + raise TypeError("`other` argument requires to be of type `SimplexTree`, or `None`.") + else: + self.thisptr = <intptr_t>(new Simplex_tree_interface_full_featured()) def __dealloc__(self): cdef Simplex_tree_interface_full_featured* ptr = self.get_ptr() @@ -64,12 +92,27 @@ cdef class SimplexTree: """ return self.pcohptr != NULL + def copy(self): + """ + :returns: A simplex tree that is a deep copy of itself. + :rtype: SimplexTree + + :note: The persistence information is not copied. If you need it in the clone, you have to call + :func:`compute_persistence` on it even if you had already computed it in the original. + """ + stree = SimplexTree() + stree.thisptr = _get_copy_intptr(self) + return stree + + def __deepcopy__(self): + return self.copy() + def filtration(self, simplex): """This function returns the filtration value for a given N-simplex in this simplicial complex, or +infinity if it is not in the complex. :param simplex: The N-simplex, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int :returns: The simplicial complex filtration value. :rtype: float """ @@ -80,7 +123,7 @@ cdef class SimplexTree: given N-simplex. :param simplex: The N-simplex, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int :param filtration: The new filtration value. :type filtration: float @@ -153,7 +196,7 @@ cdef class SimplexTree: """This function sets the dimension of the simplicial complex. :param dimension: The new dimension value. - :type dimension: int. + :type dimension: int .. note:: @@ -172,7 +215,7 @@ cdef class SimplexTree: complex or not. :param simplex: The N-simplex to find, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int :returns: true if the simplex was found, false otherwise. :rtype: bool """ @@ -186,15 +229,100 @@ cdef class SimplexTree: :param simplex: The N-simplex to insert, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int :param filtration: The filtration value of the simplex. - :type filtration: float. + :type filtration: float :returns: true if the simplex was not yet in the complex, false otherwise (whatever its original filtration value). :rtype: bool """ return self.get_ptr().insert(simplex, <double>filtration) + @staticmethod + @cython.boundscheck(False) + def create_from_array(filtrations, double max_filtration=INFINITY): + """Creates a new, empty complex and inserts vertices and edges. The vertices are numbered from 0 to n-1, and + the filtration values are encoded in the array, with the diagonal representing the vertices. It is the + caller's responsibility to ensure that this defines a filtration, which can be achieved with either:: + + filtrations[np.diag_indices_from(filtrations)] = filtrations.min(axis=1) + + or:: + + diag = filtrations.diagonal() + filtrations = np.fmax(np.fmax(filtrations, diag[:, None]), diag[None, :]) + + :param filtrations: the filtration values of the vertices and edges to insert. The matrix is assumed to be symmetric. + :type filtrations: numpy.ndarray of shape (n,n) + :param max_filtration: only insert vertices and edges with filtration values no larger than max_filtration + :type max_filtration: float + :returns: the new complex + :rtype: SimplexTree + """ + # TODO: document which half of the matrix is actually read? + filtrations = np.asanyarray(filtrations, dtype=float) + cdef double[:,:] F = filtrations + ret = SimplexTree() + cdef int n = F.shape[0] + assert n == F.shape[1], 'create_from_array() expects a square array' + with nogil: + ret.get_ptr().insert_matrix(&F[0,0], n, F.strides[0], F.strides[1], max_filtration) + return ret + + def insert_edges_from_coo_matrix(self, edges): + """Inserts edges given by a sparse matrix in `COOrdinate format + <https://docs.scipy.org/doc/scipy/reference/generated/scipy.sparse.coo_matrix.html>`_. + If an edge is repeated, the smallest filtration value is used. Missing entries are not inserted. + Diagonal entries are currently interpreted as vertices, although we do not guarantee this behavior + in the future, and this is only useful if you want to insert vertices with a smaller filtration value + than the smallest edge containing it, since vertices are implicitly inserted together with the edges. + + :param edges: the edges to insert and their filtration values. + :type edges: scipy.sparse.coo_matrix of shape (n,n) + + .. seealso:: :func:`insert_batch` + """ + # Without this, it could be slow if we end up inserting vertices in a bad order (flat_map). + self.get_ptr().insert_batch_vertices(np.unique(np.stack((edges.row, edges.col))), INFINITY) + # TODO: optimize this? + for edge in zip(edges.row, edges.col, edges.data): + self.get_ptr().insert((edge[0], edge[1]), edge[2]) + + @cython.boundscheck(False) + @cython.wraparound(False) + def insert_batch(self, some_int[:,:] vertex_array, some_float[:] filtrations): + """Inserts k-simplices given by a sparse array in a format similar + to `torch.sparse <https://pytorch.org/docs/stable/sparse.html>`_. + The n-th simplex has vertices `vertex_array[0,n]`, ..., + `vertex_array[k,n]` and filtration value `filtrations[n]`. + If a simplex is repeated, the smallest filtration value is used. + Simplices with a repeated vertex are currently interpreted as lower + dimensional simplices, but we do not guarantee this behavior in the + future. Any time a simplex is inserted, its faces are inserted as well + if needed to preserve a simplicial complex. + + :param vertex_array: the k-simplices to insert. + :type vertex_array: numpy.array of shape (k+1,n) + :param filtrations: the filtration values. + :type filtrations: numpy.array of shape (n,) + """ + cdef vector[int] vertices = np.unique(vertex_array) + cdef Py_ssize_t k = vertex_array.shape[0] + cdef Py_ssize_t n = vertex_array.shape[1] + assert filtrations.shape[0] == n, 'inconsistent sizes for vertex_array and filtrations' + cdef Py_ssize_t i + cdef Py_ssize_t j + cdef vector[int] v + with nogil: + # Without this, it could be slow if we end up inserting vertices in a bad order (flat_map). + # NaN currently does the wrong thing + self.get_ptr().insert_batch_vertices(vertices, INFINITY) + for i in range(n): + for j in range(k): + v.push_back(vertex_array[j, i]) + self.get_ptr().insert(v, filtrations[i]) + v.clear() + def get_simplices(self): """This function returns a generator with simplices and their given filtration values. @@ -225,13 +353,12 @@ cdef class SimplexTree: preincrement(it) def get_skeleton(self, dimension): - """This function returns the (simplices of the) skeleton of a maximum - given dimension. + """This function returns a generator with the (simplices of the) skeleton of a maximum given dimension. :param dimension: The skeleton dimension value. - :type dimension: int. + :type dimension: int :returns: The (simplices of the) skeleton of a maximum dimension. - :rtype: list of tuples(simplex, filtration) + :rtype: generator with tuples(simplex, filtration) """ cdef Simplex_tree_skeleton_iterator it = self.get_ptr().get_skeleton_iterator_begin(dimension) cdef Simplex_tree_skeleton_iterator end = self.get_ptr().get_skeleton_iterator_end(dimension) @@ -244,7 +371,7 @@ cdef class SimplexTree: """This function returns the star of a given N-simplex. :param simplex: The N-simplex, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int :returns: The (simplices of the) star of a simplex. :rtype: list of tuples(simplex, filtration) """ @@ -266,10 +393,10 @@ cdef class SimplexTree: given codimension. :param simplex: The N-simplex, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int :param codimension: The codimension. If codimension = 0, all cofaces are returned (equivalent of get_star function) - :type codimension: int. + :type codimension: int :returns: The (simplices of the) cofaces of a simplex :rtype: list of tuples(simplex, filtration) """ @@ -286,12 +413,28 @@ 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. :param simplex: The N-simplex, represented by a list of vertex. - :type simplex: list of int. + :type simplex: list of int .. note:: @@ -309,7 +452,7 @@ cdef class SimplexTree: """Prune above filtration value given as parameter. :param filtration: Maximum threshold value. - :type filtration: float. + :type filtration: float :returns: The filtration modification information. :rtype: bool @@ -328,8 +471,8 @@ 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 + def expansion(self, max_dimension): + """Expands the simplex tree containing only its one skeleton until dimension max_dim. The expanded simplicial complex until dimension :math:`d` @@ -339,13 +482,13 @@ 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. - :type max_dim: int. + :param max_dimension: The maximal dimension. + :type max_dimension: int """ - cdef int maxdim = max_dim + cdef int maxdim = max_dimension with nogil: self.get_ptr().expansion(maxdim) @@ -359,38 +502,54 @@ 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 computed with these values. + """ 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 + computed with these values. .. note:: - 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 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 not contain a vertex with the largest possible value (i.e., 4294967295). + 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>`_ + explains how to compute an extension of persistence called extended persistence. """ self.get_ptr().compute_extended_filtration() def extended_persistence(self, homology_coeff_field=11, min_persistence=0): - """This function retrieves good values for extended persistence, and separate the diagrams - into the Ordinary, Relative, Extended+ and Extended- subdiagrams. - - :param homology_coeff_field: The homology coefficient field. Must be a - prime number. Default value is 11. - :type homology_coeff_field: int. - :param min_persistence: The minimum persistence value (i.e., the absolute value of the difference between the persistence diagram point coordinates) to take into - account (strictly greater than min_persistence). Default value is - 0.0. - Sets min_persistence to -1.0 to see all values. - :type min_persistence: float. - :returns: A list of four persistence diagrams in the format described in :func:`persistence`. The first one is Ordinary, the second one is Relative, the third one is Extended+ and the fourth one is Extended-. See https://link.springer.com/article/10.1007/s10208-008-9027-z and/or section 2.2 in https://link.springer.com/article/10.1007/s10208-017-9370-z for a description of these subtypes. + """This function retrieves good values for extended persistence, and separate the diagrams into the Ordinary, + Relative, Extended+ and Extended- subdiagrams. + + :param homology_coeff_field: The homology coefficient field. Must be a prime number. Default value is 11. Max is 46337. + :type homology_coeff_field: int + :param min_persistence: The minimum persistence value (i.e., the absolute value of the difference between the + persistence diagram point coordinates) to take into account (strictly greater than min_persistence). + Default value is 0.0. Sets min_persistence to -1.0 to see all values. + :type min_persistence: float + :returns: A list of four persistence diagrams in the format described in :func:`persistence`. The first one is + Ordinary, the second one is Relative, the third one is Extended+ and the fourth one is Extended-. + See https://link.springer.com/article/10.1007/s10208-008-9027-z and/or section 2.2 in + https://link.springer.com/article/10.1007/s10208-017-9370-z for a description of these subtypes. .. note:: @@ -401,27 +560,50 @@ cdef class SimplexTree: The coordinates of the persistence diagram points might be a little different than the original filtration values due to the internal transformation (scaling to [-2,-1]) that is performed on these values during the computation of extended persistence. + + This `notebook <https://github.com/GUDHI/TDA-tutorial/blob/master/Tuto-GUDHI-extended-persistence.ipynb>`_ + explains how to compute an extension of persistence called extended persistence. """ cdef vector[pair[int, pair[double, double]]] persistence_result if self.pcohptr != NULL: del self.pcohptr self.pcohptr = new Simplex_tree_persistence_interface(self.get_ptr(), False) self.pcohptr.compute_persistence(homology_coeff_field, -1.) - persistence_result = self.pcohptr.get_persistence() - return self.get_ptr().compute_extended_persistence_subdiagrams(persistence_result, min_persistence) - + return self.pcohptr.compute_extended_persistence_subdiagrams(min_persistence) + + def expansion_with_blocker(self, max_dim, blocker_func): + """Expands the Simplex_tree containing only a graph. Simplices corresponding to cliques in the graph are added + incrementally, faces before cofaces, unless the simplex has dimension larger than `max_dim` or `blocker_func` + returns `True` for this simplex. + + The function identifies a candidate simplex whose faces are all already in the complex, inserts it with a + filtration value corresponding to the maximum of the filtration values of the faces, then calls `blocker_func` + with this new simplex (represented as a list of int). If `blocker_func` returns `True`, the simplex is removed, + otherwise it is kept. The algorithm then proceeds with the next candidate. + + .. warning:: + Several candidates of the same dimension may be inserted simultaneously before calling `blocker_func`, so + if you examine the complex in `blocker_func`, you may hit a few simplices of the same dimension that have + not been vetted by `blocker_func` yet, or have already been rejected but not yet removed. + + :param max_dim: Expansion maximal dimension value. + :type max_dim: int + :param blocker_func: Blocker oracle. + :type blocker_func: Callable[[List[int]], bool] + """ + self.get_ptr().expansion_with_blockers_callback(max_dim, callback, <void*>blocker_func) def persistence(self, homology_coeff_field=11, min_persistence=0, persistence_dim_max = False): """This function computes and returns the persistence of the simplicial complex. :param homology_coeff_field: The homology coefficient field. Must be a - prime number. Default value is 11. - :type homology_coeff_field: int. + prime number. Default value is 11. Max is 46337. + :type homology_coeff_field: int :param min_persistence: The minimum persistence value to take into account (strictly greater than min_persistence). Default value is 0.0. Set min_persistence to -1.0 to see all values. - :type min_persistence: float. + :type min_persistence: float :param persistence_dim_max: If true, the persistent homology for the maximal dimension in the complex is computed. If false, it is ignored. Default is false. @@ -438,13 +620,13 @@ cdef class SimplexTree: when you do not want the list :func:`persistence` returns. :param homology_coeff_field: The homology coefficient field. Must be a - prime number. Default value is 11. - :type homology_coeff_field: int. + prime number. Default value is 11. Max is 46337. + :type homology_coeff_field: int :param min_persistence: The minimum persistence value to take into account (strictly greater than min_persistence). Default value is 0.0. Sets min_persistence to -1.0 to see all values. - :type min_persistence: float. + :type min_persistence: float :param persistence_dim_max: If true, the persistent homology for the maximal dimension in the complex is computed. If false, it is ignored. Default is false. @@ -479,10 +661,10 @@ cdef class SimplexTree: :param from_value: The persistence birth limit to be added in the numbers (persistent birth <= from_value). - :type from_value: float. + :type from_value: float :param to_value: The persistence death limit to be added in the numbers (persistent death > to_value). - :type to_value: float. + :type to_value: float :returns: The persistent Betti numbers ([B0, B1, ..., Bn]). :rtype: list of int @@ -499,7 +681,7 @@ cdef class SimplexTree: complex in a specific dimension. :param dimension: The specific dimension. - :type dimension: int. + :type dimension: int :returns: The persistence intervals. :rtype: numpy array of dimension 2 @@ -508,7 +690,11 @@ cdef class SimplexTree: function to be launched first. """ assert self.pcohptr != NULL, "compute_persistence() must be called before persistence_intervals_in_dimension()" - return np_array(self.pcohptr.intervals_in_dimension(dimension)) + piid = np.array(self.pcohptr.intervals_in_dimension(dimension)) + # Workaround https://github.com/GUDHI/gudhi-devel/issues/507 + if len(piid) == 0: + return np.empty(shape = [0, 2]) + return piid def persistence_pairs(self): """This function returns a list of persistence birth and death simplices pairs. @@ -528,7 +714,7 @@ cdef class SimplexTree: complex in a user given file name. :param persistence_file: Name of the file. - :type persistence_file: string. + :type persistence_file: string :note: intervals_in_dim function requires :func:`compute_persistence` @@ -549,8 +735,8 @@ cdef class SimplexTree: """ assert self.pcohptr != NULL, "lower_star_persistence_generators() requires that persistence() be called first." gen = self.pcohptr.lower_star_generators() - normal = [np_array(d).reshape(-1,2) for d in gen.first] - infinite = [np_array(d) for d in gen.second] + normal = [np.array(d).reshape(-1,2) for d in gen.first] + infinite = [np.array(d) for d in gen.second] return (normal, infinite) def flag_persistence_generators(self): @@ -568,17 +754,49 @@ cdef class SimplexTree: assert self.pcohptr != NULL, "flag_persistence_generators() requires that persistence() be called first." gen = self.pcohptr.flag_generators() if len(gen.first) == 0: - normal0 = numpy.empty((0,3)) + normal0 = np.empty((0,3)) normals = [] else: l = iter(gen.first) - normal0 = np_array(next(l)).reshape(-1,3) - normals = [np_array(d).reshape(-1,4) for d in l] + normal0 = np.array(next(l)).reshape(-1,3) + normals = [np.array(d).reshape(-1,4) for d in l] if len(gen.second) == 0: - infinite0 = numpy.empty(0) + infinite0 = np.empty(0) infinites = [] else: l = iter(gen.second) - infinite0 = np_array(next(l)) - infinites = [np_array(d).reshape(-1,2) for d in l] + infinite0 = np.array(next(l)) + infinites = [np.array(d).reshape(-1,2) for d in l] return (normal0, normals, infinite0, infinites) + + def collapse_edges(self, nb_iterations = 1): + """Assuming the complex is a graph (simplices of higher dimension are ignored), this method implicitly + interprets it as the 1-skeleton of a flag complex, and replaces it with another (smaller) graph whose + expansion has the same persistent homology, using a technique known as edge collapses + (see :cite:`edgecollapsearxiv`). + + A natural application is to get a simplex tree of dimension 1 from :class:`~gudhi.RipsComplex`, + then collapse edges, perform :meth:`expansion()` and finally compute persistence + (cf. :download:`rips_complex_edge_collapse_example.py <../example/rips_complex_edge_collapse_example.py>`). + + :param nb_iterations: The number of edge collapse iterations to perform. Default is 1. + :type nb_iterations: int + """ + # Backup old pointer + cdef Simplex_tree_interface_full_featured* ptr = self.get_ptr() + cdef int nb_iter = nb_iterations + with nogil: + # New pointer is a new collapsed simplex tree + self.thisptr = <intptr_t>(ptr.collapse_edges(nb_iter)) + # Delete old pointer + del ptr + + def __eq__(self, other:SimplexTree): + """Test for structural equality + :returns: True if the 2 simplex trees are equal, False otherwise. + :rtype: bool + """ + return dereference(self.get_ptr()) == dereference(other.get_ptr()) + +cdef intptr_t _get_copy_intptr(SimplexTree stree) nogil: + return <intptr_t>(new Simplex_tree_interface_full_featured(dereference(stree.get_ptr()))) |