File: test_add_metapaths.py

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import torch
from torch import tensor

from torch_geometric.data import HeteroData
from torch_geometric.transforms import AddMetaPaths, AddRandomMetaPaths
from torch_geometric.utils import coalesce


def generate_data() -> HeteroData:
    data = HeteroData()
    data['p'].x = torch.ones(5)
    data['a'].x = torch.ones(6)
    data['c'].x = torch.ones(3)
    data['p', 'p'].edge_index = tensor([[0, 1, 2, 3], [1, 2, 4, 2]])
    data['p', 'a'].edge_index = tensor([[0, 1, 2, 3, 4], [2, 2, 5, 2, 5]])
    data['a', 'p'].edge_index = data['p', 'a'].edge_index.flip([0])
    data['c', 'p'].edge_index = tensor([[0, 0, 1, 2, 2], [0, 1, 2, 3, 4]])
    data['p', 'c'].edge_index = data['c', 'p'].edge_index.flip([0])
    return data


def test_add_metapaths() -> None:
    data = generate_data()
    # Test transform options:
    metapaths = [[('p', 'c'), ('c', 'p')]]

    transform = AddMetaPaths(metapaths)
    assert str(transform) == 'AddMetaPaths()'
    meta1 = transform(data)

    transform = AddMetaPaths(metapaths, drop_orig_edge_types=True)
    assert str(transform) == 'AddMetaPaths()'
    meta2 = transform(data)

    transform = AddMetaPaths(metapaths, drop_orig_edge_types=True,
                             keep_same_node_type=True)
    assert str(transform) == 'AddMetaPaths()'
    meta3 = transform(data)

    transform = AddMetaPaths(metapaths, drop_orig_edge_types=True,
                             keep_same_node_type=True,
                             drop_unconnected_node_types=True)
    assert str(transform) == 'AddMetaPaths()'
    meta4 = transform(data)

    assert meta1['metapath_0'].edge_index.size() == (2, 9)
    assert meta2['metapath_0'].edge_index.size() == (2, 9)
    assert meta3['metapath_0'].edge_index.size() == (2, 9)
    assert meta4['metapath_0'].edge_index.size() == (2, 9)

    assert all([i in meta1.edge_types for i in data.edge_types])
    assert meta2.edge_types == [('p', 'metapath_0', 'p')]
    assert meta3.edge_types == [('p', 'to', 'p'), ('p', 'metapath_0', 'p')]
    assert meta4.edge_types == [('p', 'to', 'p'), ('p', 'metapath_0', 'p')]

    assert meta3.node_types == ['p', 'a', 'c']
    assert meta4.node_types == ['p']

    # Test 4-hop metapath:
    metapaths = [
        [('a', 'p'), ('p', 'c')],
        [('a', 'p'), ('p', 'c'), ('c', 'p'), ('p', 'a')],
    ]
    transform = AddMetaPaths(metapaths)
    meta = transform(data)
    new_edge_types = [('a', 'metapath_0', 'c'), ('a', 'metapath_1', 'a')]
    assert meta['metapath_0'].edge_index.size() == (2, 4)
    assert meta['metapath_1'].edge_index.size() == (2, 4)

    # Test `metapath_dict` information:
    assert list(meta.metapath_dict.values()) == metapaths
    assert list(meta.metapath_dict.keys()) == new_edge_types


def test_add_metapaths_max_sample() -> None:
    torch.manual_seed(12345)

    data = generate_data()

    metapaths = [[('p', 'c'), ('c', 'p')]]
    transform = AddMetaPaths(metapaths, max_sample=1)

    meta = transform(data)
    assert meta['metapath_0'].edge_index.size(1) < 9


def test_add_weighted_metapaths() -> None:
    torch.manual_seed(12345)

    data = HeteroData()
    data['a'].num_nodes = 2
    data['b'].num_nodes = 3
    data['c'].num_nodes = 2
    data['d'].num_nodes = 2
    data['a', 'b'].edge_index = tensor([[0, 1, 1], [0, 1, 2]])
    data['b', 'a'].edge_index = data['a', 'b'].edge_index.flip([0])
    data['b', 'c'].edge_index = tensor([[0, 1, 2], [0, 1, 1]])
    data['c', 'b'].edge_index = data['b', 'c'].edge_index.flip([0])
    data['c', 'd'].edge_index = tensor([[0, 1], [0, 0]])
    data['d', 'c'].edge_index = data['c', 'd'].edge_index.flip([0])

    metapaths = [
        [('a', 'b'), ('b', 'c')],
        [('a', 'b'), ('b', 'c'), ('c', 'd')],
        [('a', 'b'), ('b', 'c'), ('c', 'd'), ('d', 'c'), ('c', 'b'),
         ('b', 'a')],
    ]
    transform = AddMetaPaths(metapaths, weighted=True)
    out = transform(data)

    # Make sure manually added metapaths compute the correct number of edges:
    edge_index = out['a', 'a'].edge_index
    edge_weight = out['a', 'a'].edge_weight
    edge_index, edge_weight = coalesce(edge_index, edge_weight)
    assert edge_index.tolist() == [[0, 0, 1, 1], [0, 1, 0, 1]]
    assert edge_weight.tolist() == [1, 2, 2, 4]

    edge_index = out['a', 'c'].edge_index
    edge_weight = out['a', 'c'].edge_weight
    edge_index, edge_weight = coalesce(edge_index, edge_weight)
    assert edge_index.tolist() == [[0, 1], [0, 1]]
    assert edge_weight.tolist() == [1, 2]

    edge_index = out['a', 'd'].edge_index
    edge_weight = out['a', 'd'].edge_weight
    edge_index, edge_weight = coalesce(edge_index, edge_weight)
    assert edge_index.tolist() == [[0, 1], [0, 0]]
    assert edge_weight.tolist() == [1, 2]

    # Compute intra-table metapaths efficiently:
    metapaths = [[('a', 'b'), ('b', 'c'), ('c', 'd')]]
    out = AddMetaPaths(metapaths, weighted=True)(data)
    out['d', 'a'].edge_index = out['a', 'd'].edge_index.flip([0])
    out['d', 'a'].edge_weight = out['a', 'd'].edge_weight
    metapaths = [[('a', 'd'), ('d', 'a')]]
    out = AddMetaPaths(metapaths, weighted=True)(out)

    edge_index = out['a', 'a'].edge_index
    edge_weight = out['a', 'a'].edge_weight
    edge_index, edge_weight = coalesce(edge_index, edge_weight)
    assert edge_index.tolist() == [[0, 0, 1, 1], [0, 1, 0, 1]]
    assert edge_weight.tolist() == [1, 2, 2, 4]


def test_add_random_metapaths() -> None:
    data = generate_data()

    # Test transform options:
    metapaths = [[('p', 'c'), ('c', 'p')]]
    torch.manual_seed(12345)

    transform = AddRandomMetaPaths(metapaths)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[1])')
    meta1 = transform(data)

    transform = AddRandomMetaPaths(metapaths, drop_orig_edge_types=True)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[1])')
    meta2 = transform(data)

    transform = AddRandomMetaPaths(metapaths, drop_orig_edge_types=True,
                                   keep_same_node_type=True)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[1])')
    meta3 = transform(data)

    transform = AddRandomMetaPaths(metapaths, drop_orig_edge_types=True,
                                   keep_same_node_type=True,
                                   drop_unconnected_node_types=True)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[1])')
    meta4 = transform(data)

    transform = AddRandomMetaPaths(metapaths, sample_ratio=0.8,
                                   drop_orig_edge_types=True,
                                   keep_same_node_type=True,
                                   drop_unconnected_node_types=True)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=0.8, '
                              'walks_per_node=[1])')
    meta5 = transform(data)

    transform = AddRandomMetaPaths(metapaths, walks_per_node=5,
                                   drop_orig_edge_types=True,
                                   keep_same_node_type=True,
                                   drop_unconnected_node_types=True)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[5])')
    meta6 = transform(data)

    assert meta1['metapath_0'].edge_index.size() == (2, 5)
    assert meta2['metapath_0'].edge_index.size() == (2, 5)
    assert meta3['metapath_0'].edge_index.size() == (2, 5)
    assert meta4['metapath_0'].edge_index.size() == (2, 5)
    assert meta5['metapath_0'].edge_index.size() == (2, 4)
    assert meta6['metapath_0'].edge_index.size() == (2, 7)

    assert all([i in meta1.edge_types for i in data.edge_types])
    assert meta2.edge_types == [('p', 'metapath_0', 'p')]
    assert meta3.edge_types == [('p', 'to', 'p'), ('p', 'metapath_0', 'p')]
    assert meta4.edge_types == [('p', 'to', 'p'), ('p', 'metapath_0', 'p')]

    assert meta3.node_types == ['p', 'a', 'c']
    assert meta4.node_types == ['p']

    # Test 4-hop metapath:
    metapaths = [
        [('a', 'p'), ('p', 'c')],
        [('a', 'p'), ('p', 'c'), ('c', 'p'), ('p', 'a')],
    ]
    transform = AddRandomMetaPaths(metapaths)
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[1, 1])')

    meta1 = transform(data)
    new_edge_types = [('a', 'metapath_0', 'c'), ('a', 'metapath_1', 'a')]
    assert meta1['metapath_0'].edge_index.size() == (2, 2)
    assert meta1['metapath_1'].edge_index.size() == (2, 2)

    # Test `metapath_dict` information:
    assert list(meta1.metapath_dict.values()) == metapaths
    assert list(meta1.metapath_dict.keys()) == new_edge_types

    transform = AddRandomMetaPaths(metapaths, walks_per_node=[2, 5])
    assert str(transform) == ('AddRandomMetaPaths(sample_ratio=1.0, '
                              'walks_per_node=[2, 5])')

    meta2 = transform(data)
    new_edge_types = [('a', 'metapath_0', 'c'), ('a', 'metapath_1', 'a')]
    assert meta2['metapath_0'].edge_index.size() == (2, 2)
    assert meta2['metapath_1'].edge_index.size() == (2, 3)