Source code for stellargraph.data.explorer

# -*- coding: utf-8 -*-
#
# Copyright 2017-2020 Data61, CSIRO
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.

__all__ = [
    "UniformRandomWalk",
    "BiasedRandomWalk",
    "UniformRandomMetaPathWalk",
    "SampledBreadthFirstWalk",
    "SampledHeterogeneousBreadthFirstWalk",
    "TemporalRandomWalk",
    "DirectedBreadthFirstNeighbours",
]


import numpy as np
import warnings
from collections import defaultdict, deque
from scipy import stats
from scipy.special import softmax

from ..core.schema import GraphSchema
from ..core.graph import StellarGraph
from ..core.utils import is_real_iterable
from ..core.validation import require_integer_in_range, comma_sep
from ..random import random_state
from abc import ABC, abstractmethod


def _default_if_none(value, default, name, ensure_not_none=True):
    value = value if value is not None else default
    if ensure_not_none and value is None:
        raise ValueError(
            f"{name}: expected a value to be specified in either `__init__` or `run`, found None in both"
        )
    return value


class RandomWalk(ABC):
    """
    Abstract base class for Random Walk classes. A Random Walk class must implement a ``run`` method
    which takes an iterable of node IDs and returns a list of walks. Each walk is a list of node IDs
    that contains the starting node as its first element.
    """

    def __init__(self, graph, seed=None):
        if not isinstance(graph, StellarGraph):
            raise TypeError("Graph must be a StellarGraph or StellarDiGraph.")

        self.graph = graph
        self._random_state, self._np_random_state = random_state(seed)

    def _get_random_state(self, seed):
        """
        Args:
            seed: The optional seed value for a given run.

        Returns:
            The random state as determined by the seed.
        """
        if seed is None:
            # Restore the random state
            return self._random_state
        # seed the random number generator
        require_integer_in_range(seed, "seed", min_val=0)
        rs, _ = random_state(seed)
        return rs

    @staticmethod
    def _validate_walk_params(nodes, n, length):
        if not is_real_iterable(nodes):
            raise ValueError(f"nodes: expected an iterable, found: {nodes}")
        if len(nodes) == 0:
            warnings.warn(
                "No root node IDs given. An empty list will be returned as a result.",
                RuntimeWarning,
                stacklevel=3,
            )

        require_integer_in_range(n, "n", min_val=1)
        require_integer_in_range(length, "length", min_val=1)

    @abstractmethod
    def run(self, nodes, **kwargs):
        pass


class GraphWalk(object):
    """
    Base class for exploring graphs.
    """

    def __init__(self, graph, graph_schema=None, seed=None):
        self.graph = graph

        # Initialize the random state
        self._check_seed(seed)
        self._random_state, self._np_random_state = random_state(seed)

        # We require a StellarGraph for this
        if not isinstance(graph, StellarGraph):
            raise TypeError("Graph must be a StellarGraph or StellarDiGraph.")

        if not graph_schema:
            self.graph_schema = self.graph.create_graph_schema()
        else:
            self.graph_schema = graph_schema

        if type(self.graph_schema) is not GraphSchema:
            self._raise_error(
                "The parameter graph_schema should be either None or of type GraphSchema."
            )

    def get_adjacency_types(self):
        # Allow additional info for heterogeneous graphs.
        adj = getattr(self, "adj_types", None)
        if not adj:
            # Create a dict of adjacency lists per edge type, for faster neighbour sampling from graph in SampledHeteroBFS:
            self.adj_types = adj = self.graph._adjacency_types(
                self.graph_schema, use_ilocs=True
            )
        return adj

    def _check_seed(self, seed):
        if seed is not None:
            if type(seed) != int:
                self._raise_error(
                    "The random number generator seed value, seed, should be integer type or None."
                )
            if seed < 0:
                self._raise_error(
                    "The random number generator seed value, seed, should be non-negative integer or None."
                )

    def _get_random_state(self, seed):
        """
        Args:
            seed: The optional seed value for a given run.

        Returns:
            The random state as determined by the seed.
        """
        if seed is None:
            # Use the class's random state
            return self._random_state
        # seed the random number generator
        rs, _ = random_state(seed)
        return rs

    def neighbors(self, node):
        return self.graph.neighbor_arrays(node, use_ilocs=True)

    def run(self, *args, **kwargs):
        """
        To be overridden by subclasses. It is the main entry point for performing random walks on the given
        graph.

        It should return the sequences of nodes in each random walk.
        """
        raise NotImplementedError

    def _raise_error(self, msg):
        raise ValueError("({}) {}".format(type(self).__name__, msg))

    def _check_common_parameters(self, nodes, n, length, seed):
        """
        Checks that the parameter values are valid or raises ValueError exceptions with a message indicating the
        parameter (the first one encountered in the checks) with invalid value.

        Args:
            nodes: <list> A list of root node ids from which to commence the random walks.
            n: <int> Number of walks per node id.
            length: <int> Maximum length of each walk.
            seed: <int> Random number generator seed.
        """
        self._check_nodes(nodes)
        self._check_repetitions(n)
        self._check_length(length)
        self._check_seed(seed)

    def _check_nodes(self, nodes):
        if nodes is None:
            self._raise_error("A list of root node IDs was not provided.")
        if not is_real_iterable(nodes):
            self._raise_error("Nodes parameter should be an iterable of node IDs.")
        if (
            len(nodes) == 0
        ):  # this is not an error but maybe a warning should be printed to inform the caller
            warnings.warn(
                "No root node IDs given. An empty list will be returned as a result.",
                RuntimeWarning,
                stacklevel=3,
            )

    def _check_repetitions(self, n):
        if type(n) != int:
            self._raise_error(
                "The number of walks per root node, n, should be integer type."
            )
        if n <= 0:
            self._raise_error(
                "The number of walks per root node, n, should be a positive integer."
            )

    def _check_length(self, length):
        if type(length) != int:
            self._raise_error("The walk length, length, should be integer type.")
        if length <= 0:
            # Technically, length 0 should be okay, but by consensus is invalid.
            self._raise_error("The walk length, length, should be a positive integer.")

    # For neighbourhood sampling
    def _check_sizes(self, n_size):
        err_msg = "The neighbourhood size must be a list of non-negative integers."
        if not isinstance(n_size, list):
            self._raise_error(err_msg)
        if len(n_size) == 0:
            # Technically, length 0 should be okay, but by consensus it is invalid.
            self._raise_error("The neighbourhood size list should not be empty.")
        for d in n_size:
            if type(d) != int or d < 0:
                self._raise_error(err_msg)


[docs]class UniformRandomWalk(RandomWalk): """ Performs uniform random walks on the given graph Args: graph (StellarGraph): Graph to traverse n (int, optional): Total number of random walks per root node length (int, optional): Maximum length of each random walk seed (int, optional): Random number generator seed """ def __init__(self, graph, n=None, length=None, seed=None): super().__init__(graph, seed=seed) self.n = n self.length = length
[docs] def run(self, nodes, *, n=None, length=None, seed=None): """ Perform a random walk starting from the root nodes. Optional parameters default to using the values passed in during construction. Args: nodes (list): The root nodes as a list of node IDs n (int, optional): Total number of random walks per root node length (int, optional): Maximum length of each random walk seed (int, optional): Random number generator seed Returns: List of lists of nodes ids for each of the random walks """ n = _default_if_none(n, self.n, "n") length = _default_if_none(length, self.length, "length") self._validate_walk_params(nodes, n, length) rs = self._get_random_state(seed) nodes = self.graph.node_ids_to_ilocs(nodes) # for each root node, do n walks return [self._walk(rs, node, length) for node in nodes for _ in range(n)]
def _walk(self, rs, start_node, length): walk = [start_node] current_node = start_node for _ in range(length - 1): neighbours = self.graph.neighbor_arrays(current_node, use_ilocs=True) if len(neighbours) == 0: # dead end, so stop break else: # has neighbours, so pick one to walk to current_node = rs.choice(neighbours) walk.append(current_node) return list(self.graph.node_ilocs_to_ids(walk))
def naive_weighted_choices(rs, weights): """ Select an index at random, weighted by the iterator `weights` of arbitrary (non-negative) floats. That is, `x` will be returned with probability `weights[x]/sum(weights)`. For doing a single sample with arbitrary weights, this is much (5x or more) faster than numpy.random.choice, because the latter requires a lot of preprocessing (normalized probabilties), and does a lot of conversions/checks/preprocessing internally. """ probs = np.cumsum(weights) idx = np.searchsorted(probs, rs.random() * probs[-1], side="left") return idx
[docs]class BiasedRandomWalk(RandomWalk): """ Performs biased second order random walks (like those used in Node2Vec algorithm https://snap.stanford.edu/node2vec/) controlled by the values of two parameters p and q. Args: graph (StellarGraph): Graph to traverse n (int, optional): Total number of random walks per root node length (int, optional): Maximum length of each random walk p (float, optional): Defines probability, 1/p, of returning to source node q (float, optional): Defines probability, 1/q, for moving to a node away from the source node weighted (bool, optional): Indicates whether the walk is unweighted or weighted seed (int, optional): Random number generator seed """ def __init__( self, graph, n=None, length=None, p=1.0, q=1.0, weighted=False, seed=None, ): super().__init__(graph, seed=seed) self.n = n self.length = length self.p = p self.q = q self.weighted = weighted self._checked_weights = False if weighted: self._check_weights_valid() def _check_weights_valid(self): if self._checked_weights: # we only need to check the weights once, either in the constructor or in run, whichever # sets `weighted=True` first return # Check that all edge weights are greater than or equal to 0. source, target, _, weights = self.graph.edge_arrays( include_edge_weight=True, use_ilocs=True ) (invalid,) = np.where((weights < 0) | ~np.isfinite(weights)) if len(invalid) > 0: def format(idx): s = source[idx] t = target[idx] w = weights[idx] return f"{s!r} to {t!r} (weight = {w})" raise ValueError( f"graph: expected all edge weights to be non-negative and finite, found some negative or infinite: {comma_sep(invalid, stringify=format)}" ) self._checked_weights = True
[docs] def run( self, nodes, *, n=None, length=None, p=None, q=None, seed=None, weighted=None ): """ Perform a random walk starting from the root nodes. Optional parameters default to using the values passed in during construction. Args: nodes (list): The root nodes as a list of node IDs n (int, optional): Total number of random walks per root node length (int, optional): Maximum length of each random walk p (float, optional): Defines probability, 1/p, of returning to source node q (float, optional): Defines probability, 1/q, for moving to a node away from the source node seed (int, optional): Random number generator seed; default is None weighted (bool, optional): Indicates whether the walk is unweighted or weighted Returns: List of lists of nodes ids for each of the random walks """ n = _default_if_none(n, self.n, "n") length = _default_if_none(length, self.length, "length") p = _default_if_none(p, self.p, "p") q = _default_if_none(q, self.q, "q") weighted = _default_if_none(weighted, self.weighted, "weighted") self._validate_walk_params(nodes, n, length) self._check_weights(p, q, weighted) rs = self._get_random_state(seed) nodes = self.graph.node_ids_to_ilocs(nodes) if weighted: self._check_weights_valid() weight_dtype = self.graph._edges.weights.dtype cast_func = np.cast[weight_dtype] ip = cast_func(1.0 / p) iq = cast_func(1.0 / q) if np.isinf(ip): raise ValueError( f"p: value ({p}) is too small. It must be possible to represent 1/p in {weight_dtype}, but this value overflows to infinity." ) if np.isinf(iq): raise ValueError( f"q: value ({q}) is too small. It must be possible to represent 1/q in {weight_dtype}, but this value overflows to infinity." ) walks = [] for node in nodes: # iterate over root nodes for walk_number in range(n): # generate n walks per root node # the walk starts at the root walk = [node] previous_node = None previous_node_neighbours = [] current_node = node for _ in range(length - 1): # select one of the neighbours using the # appropriate transition probabilities if weighted: neighbours, weights = self.graph.neighbor_arrays( current_node, include_edge_weight=True, use_ilocs=True ) else: neighbours = self.graph.neighbor_arrays( current_node, use_ilocs=True ) weights = np.ones(neighbours.shape, dtype=weight_dtype) if len(neighbours) == 0: break mask = neighbours == previous_node weights[mask] *= ip mask |= np.isin(neighbours, previous_node_neighbours) weights[~mask] *= iq choice = naive_weighted_choices(rs, weights) previous_node = current_node previous_node_neighbours = neighbours current_node = neighbours[choice] walk.append(current_node) walks.append(list(self.graph.node_ilocs_to_ids(walk))) return walks
def _check_weights(self, p, q, weighted): """ Checks that the parameter values are valid or raises ValueError exceptions with a message indicating the parameter (the first one encountered in the checks) with invalid value. Args: p: <float> The backward walk 'penalty' factor. q: <float> The forward walk 'penalty' factor. weighted: <False or True> Indicates whether the walk is unweighted or weighted. """ if p <= 0.0: raise ValueError(f"p: expected positive numeric value, found {p}") if q <= 0.0: raise ValueError(f"q: expected positive numeric value, found {q}") if type(weighted) != bool: raise ValueError(f"weighted: expected boolean value, found {weighted}")
[docs]class UniformRandomMetaPathWalk(RandomWalk): """ For heterogeneous graphs, it performs uniform random walks based on given metapaths. Optional parameters default to using the values passed in during construction. Args: graph (StellarGraph): Graph to traverse n (int, optional): Total number of random walks per root node length (int, optional): Maximum length of each random walk metapaths (list of list, optional): List of lists of node labels that specify a metapath schema, e.g., [['Author', 'Paper', 'Author'], ['Author, 'Paper', 'Venue', 'Paper', 'Author']] specifies two metapath schemas of length 3 and 5 respectively. seed (int, optional): Random number generator seed """ def __init__( self, graph, n=None, length=None, metapaths=None, seed=None, ): super().__init__(graph, seed=seed) self.n = n self.length = length self.metapaths = metapaths
[docs] def run(self, nodes, *, n=None, length=None, metapaths=None, seed=None): """ Performs metapath-driven uniform random walks on heterogeneous graphs. Args: nodes (list): The root nodes as a list of node IDs n (int, optional): Total number of random walks per root node length (int, optional): Maximum length of each random walk metapaths (list of list, optional): List of lists of node labels that specify a metapath schema, e.g., [['Author', 'Paper', 'Author'], ['Author, 'Paper', 'Venue', 'Paper', 'Author']] specifies two metapath schemas of length 3 and 5 respectively. seed (int, optional): Random number generator seed; default is None Returns: List of lists of nodes ids for each of the random walks generated """ n = _default_if_none(n, self.n, "n") length = _default_if_none(length, self.length, "length") metapaths = _default_if_none(metapaths, self.metapaths, "metapaths") self._validate_walk_params(nodes, n, length) self._check_metapath_values(metapaths) rs = self._get_random_state(seed) nodes = self.graph.node_ids_to_ilocs(nodes) walks = [] for node in nodes: # retrieve node type label = self.graph.node_type(node, use_ilocs=True) filtered_metapaths = [ metapath for metapath in metapaths if len(metapath) > 0 and metapath[0] == label ] for metapath in filtered_metapaths: # augment metapath to be length long # if ( # len(metapath) == 1 # ): # special case for random walks like in a homogeneous graphs # metapath = metapath * length # else: metapath = metapath[1:] * ((length // (len(metapath) - 1)) + 1) for _ in range(n): walk = ( [] ) # holds the walk data for this walk; first node is the starting node current_node = node for d in range(length): walk.append(current_node) # d+1 can also be used to index metapath to retrieve the node type for the next step in the walk neighbours = self.graph.neighbor_arrays( current_node, use_ilocs=True ) # filter these by node type neighbour_types = self.graph.node_type( neighbours, use_ilocs=True ) neighbours = [ neigh for neigh, neigh_type in zip(neighbours, neighbour_types) if neigh_type == metapath[d] ] if len(neighbours) == 0: # if no neighbours of the required type as dictated by the metapath exist, then stop. break # select one of the neighbours uniformly at random current_node = rs.choice( neighbours ) # the next node in the walk walks.append( list(self.graph.node_ilocs_to_ids(walk)) ) # store the walk return walks
def _check_metapath_values(self, metapaths): """ Checks that the parameter values are valid or raises ValueError exceptions with a message indicating the parameter (the first one encountered in the checks) with invalid value. Args: metapaths: <list> List of lists of node labels that specify a metapath schema, e.g., [['Author', 'Paper', 'Author'], ['Author, 'Paper', 'Venue', 'Paper', 'Author']] specifies two metapath schemas of length 3 and 5 respectively. """ def raise_error(msg): raise ValueError(f"metapaths: {msg}, found {metapaths}") if type(metapaths) != list: raise_error("expected list of lists.") for metapath in metapaths: if type(metapath) != list: raise_error("expected each metapath to be a list of node labels") if len(metapath) < 2: raise_error("expected each metapath to specify at least two node types") for node_label in metapath: if type(node_label) != str: raise_error("expected each node type in metapaths to be a string") if metapath[0] != metapath[-1]: raise_error( "expected the first and last node type in a metapath to be the same" )
[docs]class SampledBreadthFirstWalk(GraphWalk): """ Breadth First Walk that generates a sampled number of paths from a starting node. It can be used to extract a random sub-graph starting from a set of initial nodes. """
[docs] def run(self, nodes, n_size, n=1, seed=None): """ Performs a sampled breadth-first walk starting from the root nodes. Args: nodes (list): A list of root node ids such that from each node a BFWs will be generated up to the given depth. The depth of each of the walks is inferred from the length of the ``n_size`` list parameter. n_size (list of int): The number of neighbouring nodes to expand at each depth of the walk. Sampling of neighbours is always done with replacement regardless of the node degree and number of neighbours requested. n (int): Number of walks per node id. seed (int, optional): Random number generator seed; Default is None. Returns: A list of lists such that each list element is a sequence of ids corresponding to a BFW. """ self._check_sizes(n_size) self._check_common_parameters(nodes, n, len(n_size), seed) rs = self._get_random_state(seed) walks = [] max_hops = len(n_size) # depth of search for node in nodes: # iterate over root nodes for _ in range(n): # do n bounded breadth first walks from each root node q = deque() # the queue of neighbours walk = list() # the list of nodes in the subgraph of node # extend() needs iterable as parameter; we use list of tuples (node id, depth) q.append((node, 0)) while len(q) > 0: # remove the top element in the queue # index 0 pop the item from the front of the list cur_node, cur_depth = q.popleft() depth = cur_depth + 1 # the depth of the neighbouring nodes walk.append(cur_node) # add to the walk # consider the subgraph up to and including max_hops from root node if depth > max_hops: continue neighbours = ( self.graph.neighbor_arrays(cur_node, use_ilocs=True) if cur_node != -1 else [] ) if len(neighbours) == 0: # Either node is unconnected or is in directed graph with no out-nodes. _size = n_size[cur_depth] neighbours = [-1] * _size else: # sample with replacement neighbours = rs.choices(neighbours, k=n_size[cur_depth]) # add them to the back of the queue q.extend((sampled_node, depth) for sampled_node in neighbours) # finished i-th walk from node so add it to the list of walks as a list walks.append(walk) return walks
[docs]class SampledHeterogeneousBreadthFirstWalk(GraphWalk): """ Breadth First Walk for heterogeneous graphs that generates a sampled number of paths from a starting node. It can be used to extract a random sub-graph starting from a set of initial nodes. """
[docs] def run(self, nodes, n_size, n=1, seed=None): """ Performs a sampled breadth-first walk starting from the root nodes. Args: nodes (list): A list of root node ids such that from each node n BFWs will be generated with the number of samples per hop specified in n_size. n_size (int): The number of neighbouring nodes to expand at each depth of the walk. Sampling of n (int, default 1): Number of walks per node id. Neighbours with replacement is always used regardless of the node degree and number of neighbours requested. seed (int, optional): Random number generator seed; default is None Returns: A list of lists such that each list element is a sequence of ids corresponding to a sampled Heterogeneous BFW. """ self._check_sizes(n_size) self._check_common_parameters(nodes, n, len(n_size), seed) rs = self._get_random_state(seed) adj = self.get_adjacency_types() walks = [] d = len(n_size) # depth of search for node in nodes: # iterate over root nodes for _ in range(n): # do n bounded breadth first walks from each root node q = list() # the queue of neighbours walk = list() # the list of nodes in the subgraph of node # Start the walk by adding the head node, and node type to the frontier list q node_type = self.graph.node_type(node, use_ilocs=True) q.extend([(node, node_type, 0)]) # add the root node to the walks walk.append([node]) while len(q) > 0: # remove the top element in the queue and pop the item from the front of the list frontier = q.pop(0) current_node, current_node_type, depth = frontier depth = depth + 1 # the depth of the neighbouring nodes # consider the subgraph up to and including depth d from root node if depth <= d: # Find edge types for current node type current_edge_types = self.graph_schema.schema[current_node_type] # Create samples of neigbhours for all edge types for et in current_edge_types: neigh_et = adj[et][current_node] # If there are no neighbours of this type then we return None # in the place of the nodes that would have been sampled # YT update: with the new way to get neigh_et from adj[et][current_node], len(neigh_et) is always > 0. # In case of no neighbours of the current node for et, neigh_et == [None], # and samples automatically becomes [None]*n_size[depth-1] if len(neigh_et) > 0: samples = rs.choices(neigh_et, k=n_size[depth - 1]) else: # this doesn't happen anymore, see the comment above _size = n_size[depth - 1] samples = [-1] * _size walk.append(samples) q.extend( [ (sampled_node, et.n2, depth) for sampled_node in samples ] ) # finished i-th walk from node so add it to the list of walks as a list walks.append(walk) return walks
class DirectedBreadthFirstNeighbours(GraphWalk): """ Breadth First sampler that generates the composite of a number of sampled paths from a starting node. It can be used to extract a random sub-graph starting from a set of initial nodes. """ def __init__(self, graph, graph_schema=None, seed=None): super().__init__(graph, graph_schema, seed) if not graph.is_directed(): self._raise_error("Graph must be directed") def run(self, nodes, in_size, out_size, n=1, seed=None): """ Performs a sampled breadth-first walk starting from the root nodes. Args: nodes (list): A list of root node ids such that from each node n BFWs will be generated up to the given depth d. in_size (int): The number of in-directed nodes to sample with replacement at each depth of the walk. out_size (int): The number of out-directed nodes to sample with replacement at each depth of the walk. n (int, default 1): Number of walks per node id. seed (int, optional): Random number generator seed; default is None Returns: A list of multi-hop neighbourhood samples. Each sample expresses multiple undirected walks, but the in-node neighbours and out-node neighbours are sampled separately. Each sample has the format: [[node] [in_1...in_n] [out_1...out_m] [in_1.in_1...in_n.in_p] [in_1.out_1...in_n.out_q] [out_1.in_1...out_m.in_p] [out_1.out_1...out_m.out_q] [in_1.in_1.in_1...in_n.in_p.in_r] [in_1.in_1.out_1...in_n.in_p.out_s] ... ...] where a single, undirected walk might be, for example: [node out_i out_i.in_j out_i.in_j.in_k ...] """ self._check_neighbourhood_sizes(in_size, out_size) self._check_common_parameters(nodes, n, len(in_size), seed) rs = self._get_random_state(seed) max_hops = len(in_size) # A binary tree is a graph of nodes; however, we wish to avoid overusing the term 'node'. # Consider that each binary tree node carries some information. # We uniquely and deterministically number every node in the tree, so we # can represent the information stored in the tree via a flattened list of 'slots'. # Each slot (and corresponding binary tree node) now has a unique index in the flattened list. max_slots = 2 ** (max_hops + 1) - 1 samples = [] for node in nodes: # iterate over root nodes for _ in range(n): # do n bounded breadth first walks from each root node q = list() # the queue of neighbours # the list of sampled node-lists: sample = [[] for _ in range(max_slots)] # Add node to queue as (node, depth, slot) q.append((node, 0, 0)) while len(q) > 0: # remove the top element in the queue # index 0 pop the item from the front of the list cur_node, cur_depth, cur_slot = q.pop(0) sample[cur_slot].append(cur_node) # add to the walk depth = cur_depth + 1 # the depth of the neighbouring nodes # consider the subgraph up to and including max_hops from root node if depth > max_hops: continue # get in-nodes neighbours = self._sample_neighbours( rs, cur_node, 0, in_size[cur_depth] ) # add them to the back of the queue slot = 2 * cur_slot + 1 q.extend( [(sampled_node, depth, slot) for sampled_node in neighbours] ) # get out-nodes neighbours = self._sample_neighbours( rs, cur_node, 1, out_size[cur_depth] ) # add them to the back of the queue slot = slot + 1 q.extend( [(sampled_node, depth, slot) for sampled_node in neighbours] ) # finished multi-hop neighbourhood sampling samples.append(sample) return samples def _sample_neighbours(self, rs, node, idx, size): """ Samples (with replacement) the specified number of nodes from the directed neighbourhood of the given starting node. If the neighbourhood is empty, then the result will contain only None values. Args: rs: The random state used for sampling. node: The starting node. idx: <int> The index specifying the direction of the neighbourhood to be sampled: 0 => in-nodes; 1 => out-nodes. size: <int> The number of nodes to sample. Returns: The fixed-length list of neighbouring nodes (or None values if the neighbourhood is empty). """ if node == -1: # Non-node, e.g. previously sampled from empty neighbourhood return [-1] * size if idx == 0: neighbours = self.graph.in_node_arrays(node, use_ilocs=True) else: neighbours = self.graph.out_node_arrays(node, use_ilocs=True) if len(neighbours) == 0: # Sampling from empty neighbourhood return [-1] * size # Sample with replacement return rs.choices(neighbours, k=size) def _check_neighbourhood_sizes(self, in_size, out_size): """ Checks that the parameter values are valid or raises ValueError exceptions with a message indicating the parameter (the first one encountered in the checks) with invalid value. Args: nodes: <list> A list of root node ids such that from each node n BFWs will be generated up to the given depth d. n_size: <list> The number of neighbouring nodes to expand at each depth of the walk. seed: <int> Random number generator seed; default is None """ self._check_sizes(in_size) self._check_sizes(out_size) if len(in_size) != len(out_size): self._raise_error( "The number of hops for the in and out neighbourhoods must be the same." )
[docs]class TemporalRandomWalk(GraphWalk): """ Performs temporal random walks on the given graph. The graph should contain numerical edge weights that correspond to the time at which the edge was created. Exact units are not relevant for the algorithm, only the relative differences (e.g. seconds, days, etc). Args: graph (StellarGraph): Graph to traverse cw_size (int, optional): Size of context window. Also used as the minimum walk length, since a walk must generate at least 1 context window for it to be useful. max_walk_length (int, optional): Maximum length of each random walk. Should be greater than or equal to the context window size. initial_edge_bias (str, optional): Distribution to use when choosing a random initial temporal edge to start from. Available options are: * None (default) - The initial edge is picked from a uniform distribution. * "exponential" - Heavily biased towards more recent edges. walk_bias (str, optional): Distribution to use when choosing a random neighbour to walk through. Available options are: * None (default) - Neighbours are picked from a uniform distribution. * "exponential" - Exponentially decaying probability, resulting in a bias towards shorter time gaps. p_walk_success_threshold (float, optional): Lower bound for the proportion of successful (i.e. longer than minimum length) walks. If the 95% percentile of the estimated proportion is less than the provided threshold, a RuntimeError will be raised. The default value of 0.01 means an error is raised if less than 1% of the attempted random walks are successful. This parameter exists to catch any potential situation where too many unsuccessful walks can cause an infinite or very slow loop. seed (int, optional): Random number generator seed. """ def __init__( self, graph, cw_size=None, max_walk_length=80, initial_edge_bias=None, walk_bias=None, p_walk_success_threshold=0.01, seed=None, ): super().__init__(graph, graph_schema=None, seed=seed) self.cw_size = cw_size self.max_walk_length = max_walk_length self.initial_edge_bias = initial_edge_bias self.walk_bias = walk_bias self.p_walk_success_threshold = p_walk_success_threshold
[docs] def run( self, num_cw, cw_size=None, max_walk_length=None, initial_edge_bias=None, walk_bias=None, p_walk_success_threshold=None, seed=None, ): """ Perform a time respecting random walk starting from randomly selected temporal edges. Optional parameters default to using the values passed in during construction. Args: num_cw (int): Total number of context windows to generate. For comparable results to most other random walks, this should be a multiple of the number of nodes in the graph. cw_size (int, optional): Size of context window. Also used as the minimum walk length, since a walk must generate at least 1 context window for it to be useful. max_walk_length (int, optional): Maximum length of each random walk. Should be greater than or equal to the context window size. initial_edge_bias (str, optional): Distribution to use when choosing a random initial temporal edge to start from. Available options are: * None (default) - The initial edge is picked from a uniform distribution. * "exponential" - Heavily biased towards more recent edges. walk_bias (str, optional): Distribution to use when choosing a random neighbour to walk through. Available options are: * None (default) - Neighbours are picked from a uniform distribution. * "exponential" - Exponentially decaying probability, resulting in a bias towards shorter time gaps. p_walk_success_threshold (float, optional): Lower bound for the proportion of successful (i.e. longer than minimum length) walks. If the 95% percentile of the estimated proportion is less than the provided threshold, a RuntimeError will be raised. The default value of 0.01 means an error is raised if less than 1% of the attempted random walks are successful. This parameter exists to catch any potential situation where too many unsuccessful walks can cause an infinite or very slow loop. seed (int, optional): Random number generator seed; default is None. Returns: List of lists of node ids for each of the random walks. """ cw_size = _default_if_none(cw_size, self.cw_size, "cw_size") max_walk_length = _default_if_none( max_walk_length, self.max_walk_length, "max_walk_length" ) initial_edge_bias = _default_if_none( initial_edge_bias, self.initial_edge_bias, "initial_edge_bias", ensure_not_none=False, ) walk_bias = _default_if_none( walk_bias, self.walk_bias, "walk_bias", ensure_not_none=False ) p_walk_success_threshold = _default_if_none( p_walk_success_threshold, self.p_walk_success_threshold, "p_walk_success_threshold", ) if cw_size < 2: raise ValueError( f"cw_size: context window size should be greater than 1, found {cw_size}" ) if max_walk_length < cw_size: raise ValueError( f"max_walk_length: maximum walk length should not be less than the context window size, found {max_walk_length}" ) np_rs = self._np_random_state if seed is None else np.random.RandomState(seed) walks = [] num_cw_curr = 0 sources, targets, _, times = self.graph.edge_arrays(include_edge_weight=True) edge_biases = self._temporal_biases( times, None, bias_type=initial_edge_bias, is_forward=False, ) successes = 0 failures = 0 def not_progressing_enough(): # Estimate the probability p of a walk being long enough; the 95% percentile is used to # be more stable with respect to randomness. This uses Beta(1, 1) as the prior, since # it's uniform on p posterior = stats.beta.ppf(0.95, 1 + successes, 1 + failures) return posterior < p_walk_success_threshold # loop runs until we have enough context windows in total while num_cw_curr < num_cw: first_edge_index = self._sample(len(times), edge_biases, np_rs) src = sources[first_edge_index] dst = targets[first_edge_index] t = times[first_edge_index] remaining_length = num_cw - num_cw_curr + cw_size - 1 walk = self._walk( src, dst, t, min(max_walk_length, remaining_length), walk_bias, np_rs ) if len(walk) >= cw_size: walks.append(walk) num_cw_curr += len(walk) - cw_size + 1 successes += 1 else: failures += 1 if not_progressing_enough(): raise RuntimeError( f"Discarded {failures} walks out of {failures + successes}. " "Too many temporal walks are being discarded for being too short. " f"Consider using a smaller context window size (currently cw_size={cw_size})." ) return walks
def _sample(self, n, biases, np_rs): if biases is not None: assert len(biases) == n return naive_weighted_choices(np_rs, biases) else: return np_rs.choice(n) def _exp_biases(self, times, t_0, decay): # t_0 assumed to be smaller than all time values return softmax(t_0 - np.array(times) if decay else np.array(times) - t_0) def _temporal_biases(self, times, time, bias_type, is_forward): if bias_type is None: # default to uniform random sampling return None # time is None indicates we should obtain the minimum available time for t_0 t_0 = time if time is not None else min(times) if bias_type == "exponential": # exponential decay bias needs to be reversed if looking backwards in time return self._exp_biases(times, t_0, decay=is_forward) else: raise ValueError("Unsupported bias type") def _step(self, node, time, bias_type, np_rs): """ Perform 1 temporal step from a node. Returns None if a dead-end is reached. """ neighbours, times = self.graph.neighbor_arrays(node, include_edge_weight=True) neighbours = neighbours[times > time] times = times[times > time] if len(neighbours) > 0: biases = self._temporal_biases(times, time, bias_type, is_forward=True) chosen_neighbour_index = self._sample(len(neighbours), biases, np_rs) next_node = neighbours[chosen_neighbour_index] next_time = times[chosen_neighbour_index] return next_node, next_time else: return None def _walk(self, src, dst, t, length, bias_type, np_rs): walk = [src, dst] node, time = dst, t for _ in range(length - 2): result = self._step(node, time=time, bias_type=bias_type, np_rs=np_rs) if result is not None: node, time = result walk.append(node) else: break return walk