{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "# KGTopologyToolbox walk-through\n", "\n", "Copyright (c) 2024 Graphcore Ltd. All rights reserved.\n", "\n", "In this notebook we give a general overview of the classes and methods included in the `kg-topology-toolbox` library and explain how to use them to extract topological data from any knowledge graph. As an example, we use the open-source biomedical dataset [ogbl-biokg](https://ogb.stanford.edu/docs/linkprop/#ogbl-biokg).\n", "\n", "## Dependencies" ] }, { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "Found existing installation: kg-topology-toolbox 1.0.0\n", "Uninstalling kg-topology-toolbox-1.0.0:\n", " Successfully uninstalled kg-topology-toolbox-1.0.0\n" ] } ], "source": [ "import sys\n", "!{sys.executable} -m pip uninstall -y kg_topology_toolbox\n", "!pip install -q git+https://github.com/graphcore-research/kg-topology-toolbox.git --no-cache-dir\n", "!pip install -q jupyter ipywidgets ogb seaborn" ] }, { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [], "source": [ "import numpy as np\n", "import pandas as pd\n", "import matplotlib.pyplot as plt\n", "import seaborn as sns\n", "\n", "import ogb.linkproppred\n", "from kg_topology_toolbox import KGTopologyToolbox\n", "\n", "dataset_directory = \"../../../data/ogb-biokg/\"" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Data preparation\n", "\n", "We load the OGBL-BioKG dataset using the `ogb.linkproppred.LinkPropPredDataset` class and store all (h, r, t) triples in a `pandas` DataFrame." ] }, { "cell_type": "code", "execution_count": 2, "metadata": {}, "outputs": [ { "data": { "text/html": [ "
\n", " | h | \n", "r | \n", "t | \n", "
---|---|---|---|
0 | \n", "1718 | \n", "0 | \n", "3207 | \n", "
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... | \n", "... | \n", "... | \n", "... | \n", "
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5088433 | \n", "13860 | \n", "50 | \n", "6368 | \n", "
5088434 rows × 3 columns
\n", "\n", " | h | \n", "r | \n", "t | \n", "
---|---|---|---|
3854407 | \n", "1972 | \n", "45 | \n", "1972 | \n", "
4000534 | \n", "1972 | \n", "45 | \n", "1972 | \n", "
\n", " | h_degree | \n", "t_degree | \n", "tot_degree | \n", "h_unique_rel | \n", "t_unique_rel | \n", "n_loops | \n", "
---|---|---|---|---|---|---|
0 | \n", "27 | \n", "72 | \n", "99 | \n", "4 | \n", "4 | \n", "0 | \n", "
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4 | \n", "362 | \n", "302 | \n", "664 | \n", "11 | \n", "12 | \n", "0 | \n", "
... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "
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45081 | \n", "29 | \n", "32 | \n", "61 | \n", "1 | \n", "1 | \n", "0 | \n", "
45082 | \n", "28 | \n", "30 | \n", "58 | \n", "1 | \n", "1 | \n", "0 | \n", "
45083 | \n", "17 | \n", "19 | \n", "36 | \n", "1 | \n", "1 | \n", "0 | \n", "
45084 | \n", "28 | \n", "31 | \n", "59 | \n", "1 | \n", "1 | \n", "0 | \n", "
45085 rows × 6 columns
\n", "\n", " | h | \n", "r | \n", "t | \n", "h_degree | \n", "h_unique_rel | \n", "h_degree_same_rel | \n", "t_degree | \n", "t_unique_rel | \n", "t_degree_same_rel | \n", "tot_degree | \n", "tot_degree_same_rel | \n", "triple_cardinality | \n", "triple_cardinality_same_rel | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | \n", "1718 | \n", "0 | \n", "3207 | \n", "191 | \n", "5 | \n", "116 | \n", "46 | \n", "6 | \n", "14 | \n", "236 | \n", "129 | \n", "M:M | \n", "M:M | \n", "
1 | \n", "4903 | \n", "0 | \n", "13662 | \n", "544 | \n", "8 | \n", "33 | \n", "1975 | \n", "9 | \n", "50 | \n", "2518 | \n", "82 | \n", "M:M | \n", "M:M | \n", "
2 | \n", "5480 | \n", "0 | \n", "15999 | \n", "108 | \n", "3 | \n", "5 | \n", "72 | \n", "4 | \n", "22 | \n", "179 | \n", "26 | \n", "M:M | \n", "M:M | \n", "
3 | \n", "3148 | \n", "0 | \n", "7247 | \n", "110 | \n", "4 | \n", "99 | \n", "673 | \n", "11 | \n", "271 | \n", "782 | \n", "369 | \n", "M:M | \n", "M:M | \n", "
4 | \n", "10300 | \n", "0 | \n", "16202 | \n", "414 | \n", "4 | \n", "315 | \n", "148 | \n", "6 | \n", "31 | \n", "561 | \n", "345 | \n", "M:M | \n", "M:M | \n", "
... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "
5088429 | \n", "2451 | \n", "50 | \n", "5097 | \n", "636 | \n", "5 | \n", "272 | \n", "803 | \n", "10 | \n", "272 | \n", "1437 | \n", "543 | \n", "M:M | \n", "M:M | \n", "
5088430 | \n", "6456 | \n", "50 | \n", "8833 | \n", "743 | \n", "10 | \n", "259 | \n", "371 | \n", "10 | \n", "100 | \n", "1111 | \n", "358 | \n", "M:M | \n", "M:M | \n", "
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5088432 | \n", "6365 | \n", "50 | \n", "496 | \n", "922 | \n", "9 | \n", "277 | \n", "618 | \n", "19 | \n", "173 | \n", "1537 | \n", "449 | \n", "M:M | \n", "M:M | \n", "
5088433 | \n", "13860 | \n", "50 | \n", "6368 | \n", "485 | \n", "7 | \n", "175 | \n", "455 | \n", "8 | \n", "147 | \n", "939 | \n", "321 | \n", "M:M | \n", "M:M | \n", "
5088434 rows × 13 columns
\n", "\n", " | h | \n", "r | \n", "t | \n", "is_loop | \n", "is_symmetric | \n", "has_inverse | \n", "n_inverse_relations | \n", "inverse_edge_types | \n", "has_inference | \n", "n_inference_relations | \n", "inference_edge_types | \n", "has_composition | \n", "has_undirected_composition | \n", "n_triangles | \n", "n_undirected_triangles | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | \n", "1718 | \n", "0 | \n", "3207 | \n", "False | \n", "False | \n", "False | \n", "0 | \n", "[] | \n", "False | \n", "0 | \n", "[0] | \n", "False | \n", "True | \n", "0 | \n", "15 | \n", "
1 | \n", "4903 | \n", "0 | \n", "13662 | \n", "False | \n", "False | \n", "False | \n", "0 | \n", "[] | \n", "False | \n", "0 | \n", "[0] | \n", "True | \n", "True | \n", "44 | \n", "153 | \n", "
2 | \n", "5480 | \n", "0 | \n", "15999 | \n", "False | \n", "False | \n", "False | \n", "0 | \n", "[] | \n", "False | \n", "0 | \n", "[0] | \n", "False | \n", "True | \n", "0 | \n", "1 | \n", "
3 | \n", "3148 | \n", "0 | \n", "7247 | \n", "False | \n", "False | \n", "False | \n", "0 | \n", "[] | \n", "False | \n", "0 | \n", "[0] | \n", "True | \n", "True | \n", "10 | \n", "29 | \n", "
4 | \n", "10300 | \n", "0 | \n", "16202 | \n", "False | \n", "False | \n", "False | \n", "0 | \n", "[] | \n", "False | \n", "0 | \n", "[0] | \n", "True | \n", "True | \n", "3 | \n", "79 | \n", "
... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "
5088429 | \n", "2451 | \n", "50 | \n", "5097 | \n", "False | \n", "False | \n", "True | \n", "1 | \n", "[46] | \n", "True | \n", "1 | \n", "[46, 50] | \n", "True | \n", "True | \n", "1532 | \n", "5722 | \n", "
5088430 | \n", "6456 | \n", "50 | \n", "8833 | \n", "False | \n", "False | \n", "True | \n", "2 | \n", "[45, 46] | \n", "True | \n", "2 | \n", "[45, 46, 50] | \n", "True | \n", "True | \n", "234 | \n", "913 | \n", "
5088431 | \n", "9484 | \n", "50 | \n", "15873 | \n", "False | \n", "False | \n", "True | \n", "1 | \n", "[46] | \n", "True | \n", "2 | \n", "[46, 45, 50] | \n", "True | \n", "True | \n", "1326 | \n", "5004 | \n", "
5088432 | \n", "6365 | \n", "50 | \n", "496 | \n", "False | \n", "False | \n", "True | \n", "2 | \n", "[45, 46] | \n", "True | \n", "2 | \n", "[45, 46, 50] | \n", "True | \n", "True | \n", "1433 | \n", "5554 | \n", "
5088433 | \n", "13860 | \n", "50 | \n", "6368 | \n", "False | \n", "False | \n", "False | \n", "0 | \n", "[] | \n", "False | \n", "0 | \n", "[50] | \n", "True | \n", "True | \n", "119 | \n", "489 | \n", "
5088434 rows × 15 columns
\n", "\n", " | index | \n", "h | \n", "r | \n", "t | \n", "r1 | \n", "r2 | \n", "n_triangles | \n", "
---|---|---|---|---|---|---|---|
0 | \n", "334382 | \n", "732 | \n", "7 | \n", "1225 | \n", "41 | \n", "2 | \n", "10 | \n", "
1 | \n", "334382 | \n", "732 | \n", "7 | \n", "1225 | \n", "39 | \n", "2 | \n", "123 | \n", "
2 | \n", "334382 | \n", "732 | \n", "7 | \n", "1225 | \n", "38 | \n", "2 | \n", "200 | \n", "
3 | \n", "334382 | \n", "732 | \n", "7 | \n", "1225 | \n", "37 | \n", "2 | \n", "27 | \n", "
4 | \n", "334382 | \n", "732 | \n", "7 | \n", "1225 | \n", "36 | \n", "2 | \n", "6 | \n", "
... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "
732149 | \n", "4953327 | \n", "1529 | \n", "24 | \n", "2492 | \n", "13 | \n", "41 | \n", "2 | \n", "
732150 | \n", "4953327 | \n", "1529 | \n", "24 | \n", "2492 | \n", "11 | \n", "41 | \n", "2 | \n", "
732151 | \n", "4953327 | \n", "1529 | \n", "24 | \n", "2492 | \n", "6 | \n", "41 | \n", "2 | \n", "
732152 | \n", "4953327 | \n", "1529 | \n", "24 | \n", "2492 | \n", "4 | \n", "41 | \n", "1 | \n", "
732153 | \n", "4953327 | \n", "1529 | \n", "24 | \n", "2492 | \n", "2 | \n", "41 | \n", "2 | \n", "
732154 rows × 7 columns
\n", "\n", " | num_triples | \n", "frac_triples | \n", "unique_h | \n", "unique_t | \n", "h_degree_mean | \n", "h_degree_std | \n", "h_degree_quartile1 | \n", "h_degree_quartile2 | \n", "h_degree_quartile3 | \n", "h_unique_rel_mean | \n", "... | \n", "tot_degree_same_rel_quartile1 | \n", "tot_degree_same_rel_quartile2 | \n", "tot_degree_same_rel_quartile3 | \n", "triple_cardinality_1:M_frac | \n", "triple_cardinality_M:1_frac | \n", "triple_cardinality_M:M_frac | \n", "triple_cardinality_same_rel_1:1_frac | \n", "triple_cardinality_same_rel_1:M_frac | \n", "triple_cardinality_same_rel_M:1_frac | \n", "triple_cardinality_same_rel_M:M_frac | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
r | \n", "\n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " |
0 | \n", "81066 | \n", "0.015931 | \n", "9742 | \n", "9337 | \n", "569.252202 | \n", "1083.315332 | \n", "111.0 | \n", "222.0 | \n", "521.0 | \n", "8.110293 | \n", "... | \n", "45.0 | \n", "112.0 | \n", "211.0 | \n", "0.0 | \n", "0.0 | \n", "1.0 | \n", "0.001628 | \n", "0.023586 | \n", "0.064959 | \n", "0.909827 | \n", "
1 | \n", "5669 | \n", "0.001114 | \n", "698 | \n", "1536 | \n", "2518.765391 | \n", "2186.452620 | \n", "435.0 | \n", "2087.0 | \n", "4028.0 | \n", "27.048157 | \n", "... | \n", "14.0 | \n", "32.0 | \n", "60.0 | \n", "0.0 | \n", "0.0 | \n", "1.0 | \n", "0.002822 | \n", "0.104251 | \n", "0.027518 | \n", "0.865408 | \n", "
2 | \n", "66954 | \n", "0.013158 | \n", "612 | \n", "612 | \n", "4129.511919 | \n", "1935.630599 | \n", "2548.0 | \n", "3968.0 | \n", "5649.0 | \n", "36.404307 | \n", "... | \n", "332.0 | \n", "404.0 | \n", "482.0 | \n", "0.0 | \n", "0.0 | \n", "1.0 | \n", "0.000000 | \n", "0.000254 | \n", "0.000239 | \n", "0.999507 | \n", "
3 | \n", "19585 | \n", "0.003849 | \n", "491 | \n", "491 | \n", "4527.399592 | \n", "1943.714179 | \n", "2925.0 | \n", "4507.0 | \n", "6161.0 | \n", "37.095941 | \n", "... | \n", "114.0 | \n", "157.0 | \n", "202.0 | \n", "0.0 | \n", "0.0 | \n", "1.0 | \n", "0.000000 | \n", "0.000868 | \n", "0.000970 | \n", "0.998162 | \n", "
4 | \n", "32034 | \n", "0.006295 | \n", "526 | \n", "525 | \n", "4511.067834 | \n", "1905.395180 | \n", "2931.0 | \n", "4507.0 | \n", "6148.0 | \n", "37.319567 | \n", "... | \n", "188.0 | \n", "243.0 | \n", "299.0 | \n", "0.0 | \n", "0.0 | \n", "1.0 | \n", "0.000062 | \n", "0.000531 | \n", "0.000593 | \n", "0.998814 | \n", "
5 rows × 51 columns
\n", "\n", " | num_triples | \n", "frac_triples | \n", "unique_h | \n", "unique_t | \n", "is_loop_frac | \n", "is_symmetric_frac | \n", "has_inverse_frac | \n", "n_inverse_relations_mean | \n", "n_inverse_relations_std | \n", "n_inverse_relations_quartile1 | \n", "... | \n", "n_triangles_mean | \n", "n_triangles_std | \n", "n_triangles_quartile1 | \n", "n_triangles_quartile2 | \n", "n_triangles_quartile3 | \n", "n_undirected_triangles_mean | \n", "n_undirected_triangles_std | \n", "n_undirected_triangles_quartile1 | \n", "n_undirected_triangles_quartile2 | \n", "n_undirected_triangles_quartile3 | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
r | \n", "\n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " | \n", " |
0 | \n", "81066 | \n", "0.015931 | \n", "9742 | \n", "9337 | \n", "0.000012 | \n", "0.000222 | \n", "0.009474 | \n", "0.018762 | \n", "0.336120 | \n", "0.0 | \n", "... | \n", "49.615572 | \n", "816.776738 | \n", "3.0 | \n", "7.0 | \n", "16.00 | \n", "136.452841 | \n", "1421.830008 | \n", "18.00 | \n", "36.0 | \n", "68.0 | \n", "
1 | \n", "5669 | \n", "0.001114 | \n", "698 | \n", "1536 | \n", "0.000000 | \n", "0.000353 | \n", "0.061563 | \n", "0.527783 | \n", "2.502323 | \n", "0.0 | \n", "... | \n", "1630.912154 | \n", "6563.522736 | \n", "13.0 | \n", "84.0 | \n", "234.00 | \n", "2864.104428 | \n", "9520.116812 | \n", "54.00 | \n", "224.0 | \n", "586.0 | \n", "
2 | \n", "66954 | \n", "0.013158 | \n", "612 | \n", "612 | \n", "0.000000 | \n", "0.947367 | \n", "0.998253 | \n", "11.019118 | \n", "4.707246 | \n", "8.0 | \n", "... | \n", "27666.694925 | \n", "15797.649746 | \n", "14990.0 | \n", "25934.0 | \n", "38868.50 | \n", "32678.993563 | \n", "18619.016056 | \n", "16691.00 | \n", "32647.5 | \n", "48637.0 | \n", "
3 | \n", "19585 | \n", "0.003849 | \n", "491 | \n", "491 | \n", "0.000000 | \n", "0.947358 | \n", "0.999592 | \n", "13.417258 | \n", "4.585150 | \n", "10.0 | \n", "... | \n", "30250.858974 | \n", "17053.925410 | \n", "16204.0 | \n", "28873.0 | \n", "43798.00 | \n", "32696.125351 | \n", "18685.281686 | \n", "16563.00 | \n", "32808.0 | \n", "48653.0 | \n", "
4 | \n", "32034 | \n", "0.006295 | \n", "526 | \n", "525 | \n", "0.000000 | \n", "0.947368 | \n", "0.999376 | \n", "13.299588 | \n", "4.427898 | \n", "10.0 | \n", "... | \n", "30942.231192 | \n", "16888.956656 | \n", "17303.0 | \n", "30137.5 | \n", "44161.25 | \n", "32685.210464 | \n", "18685.267154 | \n", "16645.25 | \n", "32580.0 | \n", "48767.0 | \n", "
5 rows × 32 columns
\n", "\n", " | r1 | \n", "r2 | \n", "num_triples_both | \n", "frac_triples_both | \n", "num_entities_both | \n", "num_h_r1 | \n", "num_h_r2 | \n", "num_t_r1 | \n", "num_t_r2 | \n", "jaccard_head_head | \n", "jaccard_head_tail | \n", "jaccard_tail_head | \n", "jaccard_tail_tail | \n", "jaccard_both | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | \n", "0 | \n", "1 | \n", "86735 | \n", "0.017046 | \n", "14338 | \n", "9742 | \n", "698 | \n", "9337 | \n", "1536 | \n", "0.064112 | \n", "0.055301 | \n", "0.037317 | \n", "0.079635 | \n", "0.112289 | \n", "
2 | \n", "0 | \n", "2 | \n", "148020 | \n", "0.029089 | \n", "13934 | \n", "9742 | \n", "612 | \n", "9337 | \n", "612 | \n", "0.056531 | \n", "0.056531 | \n", "0.031947 | \n", "0.031947 | \n", "0.041768 | \n", "
3 | \n", "0 | \n", "3 | \n", "100651 | \n", "0.019780 | \n", "13929 | \n", "9742 | \n", "491 | \n", "9337 | \n", "491 | \n", "0.045037 | \n", "0.045037 | \n", "0.026530 | \n", "0.026530 | \n", "0.033527 | \n", "
4 | \n", "0 | \n", "4 | \n", "113100 | \n", "0.022227 | \n", "13931 | \n", "9742 | \n", "526 | \n", "9337 | \n", "525 | \n", "0.048290 | \n", "0.048188 | \n", "0.027610 | \n", "0.027506 | \n", "0.035819 | \n", "
5 | \n", "0 | \n", "5 | \n", "132276 | \n", "0.025995 | \n", "13931 | \n", "9742 | \n", "576 | \n", "9337 | \n", "578 | \n", "0.053287 | \n", "0.053491 | \n", "0.029815 | \n", "0.029916 | \n", "0.039624 | \n", "
... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "... | \n", "
2446 | \n", "47 | \n", "49 | \n", "18021 | \n", "0.003542 | \n", "2414 | \n", "806 | \n", "1885 | \n", "809 | \n", "1886 | \n", "0.131148 | \n", "0.131568 | \n", "0.132409 | \n", "0.132353 | \n", "0.135874 | \n", "
2447 | \n", "47 | \n", "50 | \n", "374193 | \n", "0.073538 | \n", "5592 | \n", "806 | \n", "5224 | \n", "809 | \n", "5228 | \n", "0.082391 | \n", "0.082526 | \n", "0.083318 | \n", "0.083453 | \n", "0.084764 | \n", "
2497 | \n", "48 | \n", "49 | \n", "43122 | \n", "0.008475 | \n", "3407 | \n", "2728 | \n", "1885 | \n", "2729 | \n", "1886 | \n", "0.371284 | \n", "0.369952 | \n", "0.371989 | \n", "0.371064 | \n", "0.370707 | \n", "
2498 | \n", "48 | \n", "50 | \n", "399294 | \n", "0.078471 | \n", "6201 | \n", "2728 | \n", "5224 | \n", "2729 | \n", "5228 | \n", "0.287356 | \n", "0.287379 | \n", "0.286061 | \n", "0.286084 | \n", "0.289147 | \n", "
2549 | \n", "49 | \n", "50 | \n", "388092 | \n", "0.076269 | \n", "6169 | \n", "1885 | \n", "5224 | \n", "1886 | \n", "5228 | \n", "0.156876 | \n", "0.156773 | \n", "0.156850 | \n", "0.156748 | \n", "0.158373 | \n", "
1275 rows × 14 columns
\n", "\n", " | h_relation | \n", "t_relation | \n", "edge_weight | \n", "
---|---|---|---|
0 | \n", "0 | \n", "1 | \n", "5.565931 | \n", "
1 | \n", "0 | \n", "2 | \n", "0.244410 | \n", "
2 | \n", "0 | \n", "3 | \n", "0.049564 | \n", "
3 | \n", "0 | \n", "4 | \n", "0.079068 | \n", "
4 | \n", "0 | \n", "5 | \n", "0.159787 | \n", "
... | \n", "... | \n", "... | \n", "... | \n", "
2545 | \n", "50 | \n", "45 | \n", "393.082900 | \n", "
2546 | \n", "50 | \n", "46 | \n", "421.818843 | \n", "
2547 | \n", "50 | \n", "47 | \n", "1.194898 | \n", "
2548 | \n", "50 | \n", "48 | \n", "18.124874 | \n", "
2549 | \n", "50 | \n", "49 | \n", "5.420267 | \n", "
2550 rows × 3 columns
\n", "