import sys import pathlib sys.path.insert(0, "../") import networkx as nx import numpy as np import time def marginalizedkernel(*args): """Calculate marginalized graph kernels between graphs. Parameters ---------- Gn : List of NetworkX graph List of graphs between which the kernels are calculated. / G1, G2 : NetworkX graphs 2 graphs between which the kernel is calculated. p_quit : integer the termination probability in the random walks generating step itr : integer time of iterations to calculate R_inf Return ------ Kmatrix/Kernel : Numpy matrix/int Kernel matrix, each element of which is the marginalized kernel between 2 praphs. / Marginalized Kernel between 2 graphs. References ---------- [1] H. Kashima, K. Tsuda, and A. Inokuchi. Marginalized kernels between labeled graphs. In Proceedings of the 20th International Conference on Machine Learning, Washington, DC, United States, 2003. """ if len(args) == 3: # for a list of graphs Gn = args[0] Kmatrix = np.zeros((len(Gn), len(Gn))) start_time = time.time() for i in range(0, len(Gn)): for j in range(i, len(Gn)): Kmatrix[i][j] = marginalizedkernel(Gn[i], Gn[j], args[1], args[2]) Kmatrix[j][i] = Kmatrix[i][j] print("\n --- marginalized kernel matrix of size %d built in %s seconds ---" % (len(Gn), (time.time() - start_time))) return Kmatrix else: # for only 2 graphs # init parameters G1 = args[0] G2 = args[1] p_quit = args[2] # the termination probability in the random walks generating step itr = args[3] # time of iterations to calculate R_inf kernel = 0 num_nodes_G1 = nx.number_of_nodes(G1) num_nodes_G2 = nx.number_of_nodes(G2) p_init_G1 = 1 / num_nodes_G1 # the initial probability distribution in the random walks generating step (uniform distribution over |G|) p_init_G2 = 1 / num_nodes_G2 q = p_quit * p_quit r1 = q # initial R_inf R_inf = np.zeros([num_nodes_G1, num_nodes_G2]) # matrix to save all the R_inf for all pairs of nodes # calculate R_inf with a simple interative method for i in range(1, itr): R_inf_new = np.zeros([num_nodes_G1, num_nodes_G2]) R_inf_new.fill(r1) # calculate R_inf for each pair of nodes for node1 in G1.nodes(data = True): neighbor_n1 = G1[node1[0]] p_trans_n1 = (1 - p_quit) / len(neighbor_n1) # the transition probability distribution in the random walks generating step (uniform distribution over the vertices adjacent to the current vertex) for node2 in G2.nodes(data = True): neighbor_n2 = G2[node2[0]] p_trans_n2 = (1 - p_quit) / len(neighbor_n2) for neighbor1 in neighbor_n1: for neighbor2 in neighbor_n2: t = p_trans_n1 * p_trans_n2 * \ deltaKernel(G1.node[neighbor1]['label'] == G2.node[neighbor2]['label']) * \ deltaKernel(neighbor_n1[neighbor1]['label'] == neighbor_n2[neighbor2]['label']) R_inf_new[node1[0]][node2[0]] += t * R_inf[neighbor1][neighbor2] # ref [1] equation (8) R_inf[:] = R_inf_new # add elements of R_inf up and calculate kernel for node1 in G1.nodes(data = True): for node2 in G2.nodes(data = True): s = p_init_G1 * p_init_G2 * deltaKernel(node1[1]['label'] == node2[1]['label']) kernel += s * R_inf[node1[0]][node2[0]] # ref [1] equation (6) return kernel def deltaKernel(condition): """Return 1 if condition holds, 0 otherwise. Parameters ---------- condition : Boolean A condition, according to which the kernel is set to 1 or 0. Return ------ Kernel : integer Delta Kernel. References ---------- [1] H. Kashima, K. Tsuda, and A. Inokuchi. Marginalized kernels between labeled graphs. In Proceedings of the 20th International Conference on Machine Learning, Washington, DC, United States, 2003. """ return (1 if condition else 0)