| @@ -16,19 +16,19 @@ import numpy as np | |||||
| import networkx as nx | import networkx as nx | ||||
| from scipy.sparse import kron | from scipy.sparse import kron | ||||
| from gklearn.utils.parallel import parallel_gm, parallel_me | from gklearn.utils.parallel import parallel_gm, parallel_me | ||||
| from gklearn.kernels import RandomWalk | |||||
| from gklearn.kernels import RandomWalkMeta | |||||
| class SpectralDecomposition(RandomWalk): | |||||
| class SpectralDecomposition(RandomWalkMeta): | |||||
| def __init__(self, **kwargs): | def __init__(self, **kwargs): | ||||
| RandomWalk.__init__(self, **kwargs) | |||||
| super().__init__(**kwargs) | |||||
| self._sub_kernel = kwargs.get('sub_kernel', None) | self._sub_kernel = kwargs.get('sub_kernel', None) | ||||
| def _compute_gm_series(self): | def _compute_gm_series(self): | ||||
| self._check_edge_weight(self._graphs) | |||||
| self._check_edge_weight(self._graphs, self._verbose) | |||||
| self._check_graphs(self._graphs) | self._check_graphs(self._graphs) | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| import warnings | import warnings | ||||
| @@ -37,7 +37,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| # compute Gram matrix. | # compute Gram matrix. | ||||
| gram_matrix = np.zeros((len(self._graphs), len(self._graphs))) | gram_matrix = np.zeros((len(self._graphs), len(self._graphs))) | ||||
| if self._q == None: | |||||
| if self._q is None: | |||||
| # precompute the spectral decomposition of each graph. | # precompute the spectral decomposition of each graph. | ||||
| P_list = [] | P_list = [] | ||||
| D_list = [] | D_list = [] | ||||
| @@ -54,19 +54,19 @@ class SpectralDecomposition(RandomWalk): | |||||
| P_list.append(ev) | P_list.append(ev) | ||||
| # P_inv_list = [p.T for p in P_list] # @todo: also works for directed graphs? | # P_inv_list = [p.T for p in P_list] # @todo: also works for directed graphs? | ||||
| if self._p == None: # p is uniform distribution as default. | |||||
| if self._p is None: # p is uniform distribution as default. | |||||
| q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in self._graphs] | q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in self._graphs] | ||||
| # q_T_list = [q.T for q in q_list] | # q_T_list = [q.T for q in q_list] | ||||
| from itertools import combinations_with_replacement | from itertools import combinations_with_replacement | ||||
| itr = combinations_with_replacement(range(0, len(self._graphs)), 2) | itr = combinations_with_replacement(range(0, len(self._graphs)), 2) | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| iterator = tqdm(itr, desc='calculating kernels', file=sys.stdout) | |||||
| iterator = tqdm(itr, desc='Computing kernels', file=sys.stdout) | |||||
| else: | else: | ||||
| iterator = itr | iterator = itr | ||||
| for i, j in iterator: | for i, j in iterator: | ||||
| kernel = self.__kernel_do(q_T_list[i], q_T_list[j], P_list[i], P_list[j], D_list[i], D_list[j], self._weight, self._sub_kernel) | |||||
| kernel = self._kernel_do(q_T_list[i], q_T_list[j], P_list[i], P_list[j], D_list[i], D_list[j], self._weight, self._sub_kernel) | |||||
| gram_matrix[i][j] = kernel | gram_matrix[i][j] = kernel | ||||
| gram_matrix[j][i] = kernel | gram_matrix[j][i] = kernel | ||||
| @@ -79,7 +79,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| def _compute_gm_imap_unordered(self): | def _compute_gm_imap_unordered(self): | ||||
| self._check_edge_weight(self._graphs) | |||||
| self._check_edge_weight(self._graphs, self._verbose) | |||||
| self._check_graphs(self._graphs) | self._check_graphs(self._graphs) | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| import warnings | import warnings | ||||
| @@ -88,7 +88,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| # compute Gram matrix. | # compute Gram matrix. | ||||
| gram_matrix = np.zeros((len(self._graphs), len(self._graphs))) | gram_matrix = np.zeros((len(self._graphs), len(self._graphs))) | ||||
| if self._q == None: | |||||
| if self._q is None: | |||||
| # precompute the spectral decomposition of each graph. | # precompute the spectral decomposition of each graph. | ||||
| P_list = [] | P_list = [] | ||||
| D_list = [] | D_list = [] | ||||
| @@ -104,7 +104,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| D_list.append(ew) | D_list.append(ew) | ||||
| P_list.append(ev) # @todo: parallel? | P_list.append(ev) # @todo: parallel? | ||||
| if self._p == None: # p is uniform distribution as default. | |||||
| if self._p is None: # p is uniform distribution as default. | |||||
| q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in self._graphs] # @todo: parallel? | q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in self._graphs] # @todo: parallel? | ||||
| def init_worker(q_T_list_toshare, P_list_toshare, D_list_toshare): | def init_worker(q_T_list_toshare, P_list_toshare, D_list_toshare): | ||||
| @@ -126,7 +126,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| def _compute_kernel_list_series(self, g1, g_list): | def _compute_kernel_list_series(self, g1, g_list): | ||||
| self._check_edge_weight(g_list + [g1]) | |||||
| self._check_edge_weight(g_list + [g1], self._verbose) | |||||
| self._check_graphs(g_list + [g1]) | self._check_graphs(g_list + [g1]) | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| import warnings | import warnings | ||||
| @@ -135,16 +135,16 @@ class SpectralDecomposition(RandomWalk): | |||||
| # compute kernel list. | # compute kernel list. | ||||
| kernel_list = [None] * len(g_list) | kernel_list = [None] * len(g_list) | ||||
| if self._q == None: | |||||
| if self._q is None: | |||||
| # precompute the spectral decomposition of each graph. | # precompute the spectral decomposition of each graph. | ||||
| A1 = nx.adjacency_matrix(g1, self._edge_weight).todense().transpose() | A1 = nx.adjacency_matrix(g1, self._edge_weight).todense().transpose() | ||||
| D1, P1 = np.linalg.eig(A1) | D1, P1 = np.linalg.eig(A1) | ||||
| P_list = [] | P_list = [] | ||||
| D_list = [] | D_list = [] | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| iterator = tqdm(range(len(g_list)), desc='spectral decompose', file=sys.stdout) | |||||
| iterator = tqdm(g_list, desc='spectral decompose', file=sys.stdout) | |||||
| else: | else: | ||||
| iterator = range(len(g_list)) | |||||
| iterator = g_list | |||||
| for G in iterator: | for G in iterator: | ||||
| # don't normalize adjacency matrices if q is a uniform vector. Note | # don't normalize adjacency matrices if q is a uniform vector. Note | ||||
| # A actually is the transpose of the adjacency matrix. | # A actually is the transpose of the adjacency matrix. | ||||
| @@ -153,16 +153,16 @@ class SpectralDecomposition(RandomWalk): | |||||
| D_list.append(ew) | D_list.append(ew) | ||||
| P_list.append(ev) | P_list.append(ev) | ||||
| if self._p == None: # p is uniform distribution as default. | |||||
| if self._p is None: # p is uniform distribution as default. | |||||
| q_T1 = 1 / nx.number_of_nodes(g1) | q_T1 = 1 / nx.number_of_nodes(g1) | ||||
| q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in g_list] | q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in g_list] | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| iterator = tqdm(range(len(g_list)), desc='calculating kernels', file=sys.stdout) | |||||
| iterator = tqdm(range(len(g_list)), desc='Computing kernels', file=sys.stdout) | |||||
| else: | else: | ||||
| iterator = range(len(g_list)) | iterator = range(len(g_list)) | ||||
| for i in iterator: | for i in iterator: | ||||
| kernel = self.__kernel_do(q_T1, q_T_list[i], P1, P_list[i], D1, D_list[i], self._weight, self._sub_kernel) | |||||
| kernel = self._kernel_do(q_T1, q_T_list[i], P1, P_list[i], D1, D_list[i], self._weight, self._sub_kernel) | |||||
| kernel_list[i] = kernel | kernel_list[i] = kernel | ||||
| else: # @todo | else: # @todo | ||||
| @@ -174,7 +174,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| def _compute_kernel_list_imap_unordered(self, g1, g_list): | def _compute_kernel_list_imap_unordered(self, g1, g_list): | ||||
| self._check_edge_weight(g_list + [g1]) | |||||
| self._check_edge_weight(g_list + [g1], self._verbose) | |||||
| self._check_graphs(g_list + [g1]) | self._check_graphs(g_list + [g1]) | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| import warnings | import warnings | ||||
| @@ -183,16 +183,16 @@ class SpectralDecomposition(RandomWalk): | |||||
| # compute kernel list. | # compute kernel list. | ||||
| kernel_list = [None] * len(g_list) | kernel_list = [None] * len(g_list) | ||||
| if self._q == None: | |||||
| if self._q is None: | |||||
| # precompute the spectral decomposition of each graph. | # precompute the spectral decomposition of each graph. | ||||
| A1 = nx.adjacency_matrix(g1, self._edge_weight).todense().transpose() | A1 = nx.adjacency_matrix(g1, self._edge_weight).todense().transpose() | ||||
| D1, P1 = np.linalg.eig(A1) | D1, P1 = np.linalg.eig(A1) | ||||
| P_list = [] | P_list = [] | ||||
| D_list = [] | D_list = [] | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| iterator = tqdm(range(len(g_list)), desc='spectral decompose', file=sys.stdout) | |||||
| iterator = tqdm(g_list, desc='spectral decompose', file=sys.stdout) | |||||
| else: | else: | ||||
| iterator = range(len(g_list)) | |||||
| iterator = g_list | |||||
| for G in iterator: | for G in iterator: | ||||
| # don't normalize adjacency matrices if q is a uniform vector. Note | # don't normalize adjacency matrices if q is a uniform vector. Note | ||||
| # A actually is the transpose of the adjacency matrix. | # A actually is the transpose of the adjacency matrix. | ||||
| @@ -201,7 +201,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| D_list.append(ew) | D_list.append(ew) | ||||
| P_list.append(ev) # @todo: parallel? | P_list.append(ev) # @todo: parallel? | ||||
| if self._p == None: # p is uniform distribution as default. | |||||
| if self._p is None: # p is uniform distribution as default. | |||||
| q_T1 = 1 / nx.number_of_nodes(g1) | q_T1 = 1 / nx.number_of_nodes(g1) | ||||
| q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in g_list] # @todo: parallel? | q_T_list = [np.full((1, nx.number_of_nodes(G)), 1 / nx.number_of_nodes(G)) for G in g_list] # @todo: parallel? | ||||
| @@ -221,7 +221,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| itr = range(len(g_list)) | itr = range(len(g_list)) | ||||
| len_itr = len(g_list) | len_itr = len(g_list) | ||||
| parallel_me(do_fun, func_assign, kernel_list, itr, len_itr=len_itr, | parallel_me(do_fun, func_assign, kernel_list, itr, len_itr=len_itr, | ||||
| init_worker=init_worker, glbv=(q_T1, P1, D1, q_T_list, P_list, D_list), method='imap_unordered', n_jobs=self._n_jobs, itr_desc='calculating kernels', verbose=self._verbose) | |||||
| init_worker=init_worker, glbv=(q_T1, P1, D1, q_T_list, P_list, D_list), method='imap_unordered', n_jobs=self._n_jobs, itr_desc='Computing kernels', verbose=self._verbose) | |||||
| else: # @todo | else: # @todo | ||||
| pass | pass | ||||
| @@ -236,23 +236,23 @@ class SpectralDecomposition(RandomWalk): | |||||
| def _compute_single_kernel_series(self, g1, g2): | def _compute_single_kernel_series(self, g1, g2): | ||||
| self._check_edge_weight([g1] + [g2]) | |||||
| self._check_edge_weight([g1] + [g2], self._verbose) | |||||
| self._check_graphs([g1] + [g2]) | self._check_graphs([g1] + [g2]) | ||||
| if self._verbose >= 2: | if self._verbose >= 2: | ||||
| import warnings | import warnings | ||||
| warnings.warn('All labels are ignored. Only works for undirected graphs.') | warnings.warn('All labels are ignored. Only works for undirected graphs.') | ||||
| if self._q == None: | |||||
| if self._q is None: | |||||
| # precompute the spectral decomposition of each graph. | # precompute the spectral decomposition of each graph. | ||||
| A1 = nx.adjacency_matrix(g1, self._edge_weight).todense().transpose() | A1 = nx.adjacency_matrix(g1, self._edge_weight).todense().transpose() | ||||
| D1, P1 = np.linalg.eig(A1) | D1, P1 = np.linalg.eig(A1) | ||||
| A2 = nx.adjacency_matrix(g2, self._edge_weight).todense().transpose() | A2 = nx.adjacency_matrix(g2, self._edge_weight).todense().transpose() | ||||
| D2, P2 = np.linalg.eig(A2) | D2, P2 = np.linalg.eig(A2) | ||||
| if self._p == None: # p is uniform distribution as default. | |||||
| if self._p is None: # p is uniform distribution as default. | |||||
| q_T1 = 1 / nx.number_of_nodes(g1) | q_T1 = 1 / nx.number_of_nodes(g1) | ||||
| q_T2 = 1 / nx.number_of_nodes(g2) | q_T2 = 1 / nx.number_of_nodes(g2) | ||||
| kernel = self.__kernel_do(q_T1, q_T2, P1, P2, D1, D2, self._weight, self._sub_kernel) | |||||
| kernel = self._kernel_do(q_T1, q_T2, P1, P2, D1, D2, self._weight, self._sub_kernel) | |||||
| else: # @todo | else: # @todo | ||||
| pass | pass | ||||
| else: # @todo | else: # @todo | ||||
| @@ -261,7 +261,7 @@ class SpectralDecomposition(RandomWalk): | |||||
| return kernel | return kernel | ||||
| def __kernel_do(self, q_T1, q_T2, P1, P2, D1, D2, weight, sub_kernel): | |||||
| def _kernel_do(self, q_T1, q_T2, P1, P2, D1, D2, weight, sub_kernel): | |||||
| # use uniform distribution if there is no prior knowledge. | # use uniform distribution if there is no prior knowledge. | ||||
| kl = kron(np.dot(q_T1, P1), np.dot(q_T2, P2)).todense() | kl = kron(np.dot(q_T1, P1), np.dot(q_T2, P2)).todense() | ||||
| # @todo: this is not needed when p = q (kr = kl.T) for undirected graphs. | # @todo: this is not needed when p = q (kr = kl.T) for undirected graphs. | ||||
| @@ -280,4 +280,4 @@ class SpectralDecomposition(RandomWalk): | |||||
| def _wrapper_kernel_do(self, itr): | def _wrapper_kernel_do(self, itr): | ||||
| i = itr[0] | i = itr[0] | ||||
| j = itr[1] | j = itr[1] | ||||
| return i, j, self.__kernel_do(G_q_T_list[i], G_q_T_list[j], G_P_list[i], G_P_list[j], G_D_list[i], G_D_list[j], self._weight, self._sub_kernel) | |||||
| return i, j, self._kernel_do(G_q_T_list[i], G_q_T_list[j], G_P_list[i], G_P_list[j], G_D_list[i], G_D_list[j], self._weight, self._sub_kernel) | |||||