gklearn.utils.graphdataset

Obtain all kinds of attributes of a graph dataset.

get_dataset_attributes(Gn, target=None, attr_names=[], node_label=None, edge_label=None)

Returns the structure and property information of the graph dataset Gn.

Gn : List of NetworkX graph

List of graphs whose information will be returned.

target : list

The list of classification targets corresponding to Gn. Only works for classification problems.

attr_names : list

List of strings which indicate which informations will be returned. The possible choices includes:

‘substructures’: sub-structures Gn contains, including ‘linear’, ‘non linear’ and ‘cyclic’.

‘node_labeled’: whether vertices have symbolic labels.

‘edge_labeled’: whether egdes have symbolic labels.

‘is_directed’: whether graphs in Gn are directed.

‘dataset_size’: number of graphs in Gn.

‘ave_node_num’: average number of vertices of graphs in Gn.

‘min_node_num’: minimum number of vertices of graphs in Gn.

‘max_node_num’: maximum number of vertices of graphs in Gn.

‘ave_edge_num’: average number of edges of graphs in Gn.

‘min_edge_num’: minimum number of edges of graphs in Gn.

‘max_edge_num’: maximum number of edges of graphs in Gn.

‘ave_node_degree’: average vertex degree of graphs in Gn.

‘min_node_degree’: minimum vertex degree of graphs in Gn.

‘max_node_degree’: maximum vertex degree of graphs in Gn.

‘ave_fill_factor’: average fill factor (number_of_edges / (number_of_nodes ** 2)) of graphs in Gn.

‘min_fill_factor’: minimum fill factor of graphs in Gn.

‘max_fill_factor’: maximum fill factor of graphs in Gn.

‘node_label_num’: number of symbolic vertex labels.

‘edge_label_num’: number of symbolic edge labels.

‘node_attr_dim’: number of dimensions of non-symbolic vertex labels. Extracted from the ‘attributes’ attribute of graph nodes.

‘edge_attr_dim’: number of dimensions of non-symbolic edge labels. Extracted from the ‘attributes’ attribute of graph edges.

‘class_number’: number of classes. Only available for classification problems.

node_label : string

Node attribute used as label. The default node label is atom. Mandatory when ‘node_labeled’ or ‘node_label_num’ is required.

edge_label : string

Edge attribute used as label. The default edge label is bond_type. Mandatory when ‘edge_labeled’ or ‘edge_label_num’ is required.

attrs : dict

Value for each property.