Hugging Face's logo

Datasets:
structlearning
/
isonetpp-benchmark

Tasks:
Graph Machine Learning
Other
Tags:
graphs
graph-retrieval
subgraph-isomorphism
graph-mining
graph-datasets
License:
Dataset card Files
xet
Community
indraroy commited on
Commit
24f4100
·
1 Parent(s): a282d08

Add IsoNet++ benchmark dataset (train/val/test splits and searchable corpus)

Browse files
Files changed (43) hide show
  1. README.md +136 -0
  2. corpus/aids240k_corpus_subgraphs.pkl +3 -0
  3. corpus/mutag240k_corpus_subgraphs.pkl +3 -0
  4. corpus/ptc_fm240k_corpus_subgraphs.pkl +3 -0
  5. corpus/ptc_fr240k_corpus_subgraphs.pkl +3 -0
  6. corpus/ptc_mm240k_corpus_subgraphs.pkl +3 -0
  7. corpus/ptc_mr240k_corpus_subgraphs.pkl +3 -0
  8. splits/test/test_aids240k_query_subgraphs.pkl +3 -0
  9. splits/test/test_aids240k_rel_nx_is_subgraph_iso.pkl +3 -0
  10. splits/test/test_mutag240k_query_subgraphs.pkl +3 -0
  11. splits/test/test_mutag240k_rel_nx_is_subgraph_iso.pkl +3 -0
  12. splits/test/test_ptc_fm240k_query_subgraphs.pkl +3 -0
  13. splits/test/test_ptc_fm240k_rel_nx_is_subgraph_iso.pkl +3 -0
  14. splits/test/test_ptc_fr240k_query_subgraphs.pkl +3 -0
  15. splits/test/test_ptc_fr240k_rel_nx_is_subgraph_iso.pkl +3 -0
  16. splits/test/test_ptc_mm240k_query_subgraphs.pkl +3 -0
  17. splits/test/test_ptc_mm240k_rel_nx_is_subgraph_iso.pkl +3 -0
  18. splits/test/test_ptc_mr240k_query_subgraphs.pkl +3 -0
  19. splits/test/test_ptc_mr240k_rel_nx_is_subgraph_iso.pkl +3 -0
  20. splits/train/train_aids240k_query_subgraphs.pkl +3 -0
  21. splits/train/train_aids240k_rel_nx_is_subgraph_iso.pkl +3 -0
  22. splits/train/train_mutag240k_query_subgraphs.pkl +3 -0
  23. splits/train/train_mutag240k_rel_nx_is_subgraph_iso.pkl +3 -0
  24. splits/train/train_ptc_fm240k_query_subgraphs.pkl +3 -0
  25. splits/train/train_ptc_fm240k_rel_nx_is_subgraph_iso.pkl +3 -0
  26. splits/train/train_ptc_fr240k_query_subgraphs.pkl +3 -0
  27. splits/train/train_ptc_fr240k_rel_nx_is_subgraph_iso.pkl +3 -0
  28. splits/train/train_ptc_mm240k_query_subgraphs.pkl +3 -0
  29. splits/train/train_ptc_mm240k_rel_nx_is_subgraph_iso.pkl +3 -0
  30. splits/train/train_ptc_mr240k_query_subgraphs.pkl +3 -0
  31. splits/train/train_ptc_mr240k_rel_nx_is_subgraph_iso.pkl +3 -0
  32. splits/val/val_aids240k_query_subgraphs.pkl +3 -0
  33. splits/val/val_aids240k_rel_nx_is_subgraph_iso.pkl +3 -0
  34. splits/val/val_mutag240k_query_subgraphs.pkl +3 -0
  35. splits/val/val_mutag240k_rel_nx_is_subgraph_iso.pkl +3 -0
  36. splits/val/val_ptc_fm240k_query_subgraphs.pkl +3 -0
  37. splits/val/val_ptc_fm240k_rel_nx_is_subgraph_iso.pkl +3 -0
  38. splits/val/val_ptc_fr240k_query_subgraphs.pkl +3 -0
  39. splits/val/val_ptc_fr240k_rel_nx_is_subgraph_iso.pkl +3 -0
  40. splits/val/val_ptc_mm240k_query_subgraphs.pkl +3 -0
  41. splits/val/val_ptc_mm240k_rel_nx_is_subgraph_iso.pkl +3 -0
  42. splits/val/val_ptc_mr240k_query_subgraphs.pkl +3 -0
  43. splits/val/val_ptc_mr240k_rel_nx_is_subgraph_iso.pkl +3 -0
README.md ADDED
@@ -0,0 +1,136 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ---
2
+ pretty_name: "IsoNet++ Benchmark"
3
+ tags:
4
+ - graphs
5
+ - graph-retrieval
6
+ - subgraph-isomorphism
7
+ - graph-mining
8
+ - graph-datasets
9
+ task_categories:
10
+ - subgraph-matching
11
+ - graph-retrieval
12
+ license: "CC-BY-4.0"
13
+ ---
14
+
15
+ # IsoNet++ Benchmark Dataset
16
+
17
+ The **IsoNet++ Benchmark** is a *subgraph retrieval* benchmark derived from TUDataset graph datasets including:
18
+
19
+ - **AIDS**
20
+ - **MUTAG**
21
+ - **PTC** (FM, FR, MM, MR)
22
+
23
+ The benchmark is used to evaluate models that learn **graph representations** for:
24
+ - Graph similarity search
25
+ - Subgraph matching
26
+ - Retrieval at scale
27
+
28
+ This benchmark was introduced to evaluate the **IsoNet++** model.
29
+
30
+ ---
31
+
32
+ ## Dataset Structure
33
+
34
+ ```
35
+ isonetpp-benchmark/
36
+ ├─ corpus/ # Searchable graph collections
37
+ │ ├─ aids240k_corpus_subgraphs.pkl
38
+ │ ├─ mutag240k_corpus_subgraphs.pkl
39
+ │ ├─ ptc_fm240k_corpus_subgraphs.pkl
40
+ │ ├─ ptc_fr240k_corpus_subgraphs.pkl
41
+ │ ├─ ptc_mm240k_corpus_subgraphs.pkl
42
+ │ └─ ptc_mr240k_corpus_subgraphs.pkl
43
+ └─ splits/ # Query → relevance evaluation sets
44
+ ├─ train/
45
+ │ ├─ train_<dataset>_query_subgraphs.pkl
46
+ │ └─ train_<dataset>_rel_nx_is_subgraph_iso.pkl
47
+ ├─ val/
48
+ │ ├─ val_<dataset>_query_subgraphs.pkl
49
+ │ └─ val_<dataset>_rel_nx_is_subgraph_iso.pkl
50
+ └─ test/
51
+ ├─ test_<dataset>_query_subgraphs.pkl
52
+ └─ test_<dataset>_rel_nx_is_subgraph_iso.pkl
53
+ ```
54
+
55
+ Where `<dataset>` ∈ `{aids240k, mutag240k, ptc_fm240k, ptc_fr240k, ptc_mm240k, ptc_mr240k}`.
56
+
57
+ ---
58
+
59
+ ## Data Format
60
+
61
+ All `.pkl` files use Python `pickle` serialization:
62
+
63
+ | File Pattern | Description |
64
+ |-------------|-------------|
65
+ | `*_corpus_subgraphs.pkl` | List of NetworkX graphs representing the retrieval corpus |
66
+ | `*_query_subgraphs.pkl` | List of NetworkX graphs serving as query graphs |
67
+ | `*_rel_nx_is_subgraph_iso.pkl` | Binary labels from exact subgraph isomorphism (NetworkX VF2) |
68
+
69
+ ---
70
+
71
+ ## Load Examples
72
+
73
+ ### Load Corpus
74
+
75
+ ```python
76
+ from huggingface_hub import hf_hub_download
77
+ import pickle
78
+
79
+ path = hf_hub_download(
80
+ "structlearning/isonetpp-benchmark",
81
+ filename="corpus/aids240k_corpus_subgraphs.pkl"
82
+ )
83
+ with open(path, "rb") as f:
84
+ corpus_graphs = pickle.load(f)
85
+ ```
86
+
87
+ ### Load Query Split
88
+
89
+ ```python
90
+ from huggingface_hub import hf_hub_download
91
+ import pickle
92
+
93
+ queries = pickle.load(open(
94
+ hf_hub_download("structlearning/isonetpp-benchmark",
95
+ filename="splits/train/train_aids240k_query_subgraphs.pkl"),
96
+ "rb"
97
+ ))
98
+
99
+ labels = pickle.load(open(
100
+ hf_hub_download("structlearning/isonetpp-benchmark",
101
+ filename="splits/train/train_aids240k_rel_nx_is_subgraph_iso.pkl"),
102
+ "rb"
103
+ ))
104
+ ```
105
+
106
+ ---
107
+
108
+ ## Intended Use
109
+
110
+ This dataset is suitable for:
111
+
112
+ - Graph retrieval model evaluation
113
+ - Learning subgraph-aware representations
114
+ - Benchmarking hashing, GNN-based retrieval systems
115
+ - Reproducing IsoNet++ results
116
+
117
+ ---
118
+
119
+ ## Citation
120
+
121
+ If you use this dataset in research, please cite:
122
+
123
+ ```
124
+ @inproceedings{ramachandraniteratively,
125
+ title={Iteratively Refined Early Interaction Alignment for Subgraph Matching based Graph Retrieval},
126
+ author={Ramachandran, Ashwin and Raj, Vaibhav and Roy, Indradyumna and Chakrabarti, Soumen and De, Abir},
127
+ booktitle={The Thirty-eighth Annual Conference on Neural Information Processing Systems}
128
+ }
129
+ ```
130
+
131
+ ---
132
+
133
+ ## License
134
+
135
+ This dataset is released under **CC-BY-4.0**.
136
+
corpus/aids240k_corpus_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e681bfc961908c1abeaaa16aef003f2b8d35c149e0b83146e9792bc498032212
3
+ size 349936
corpus/mutag240k_corpus_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6cbc770a758a7b3693a75e875c3e7de30d68c37df25e60f7ce8d0f5391baefcd
3
+ size 359243
corpus/ptc_fm240k_corpus_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:467d75134f64807ac5cb2ce7fe45038dac5fb355df96b17de0b63e629937b91c
3
+ size 347887
corpus/ptc_fr240k_corpus_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:0ea47fb2b70491f4f240c26bcb01a6c07cad803576d2f79c259c2a4719e781ae
3
+ size 347953
corpus/ptc_mm240k_corpus_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2ee8793e736153de3e66ac0377e8a109ffa1cdbd6ef6658f51439cd5d3521a60
3
+ size 348304
corpus/ptc_mr240k_corpus_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8c47a9c81d062ea07063002af84526ffd15d3b0c3f9b058aa8ef556dd9035b48
3
+ size 347808
splits/test/test_aids240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d14af3e2c88322f1174d92d6e697f9142e256b31753b4fa86fde14bd890d5be6
3
+ size 22800
splits/test/test_aids240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:448e62899df863d331422733db37509b4b136c0985c678b96de219ccc2841d55
3
+ size 162192
splits/test/test_mutag240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:5832e42b0e9604aae95bad88c6a3ecbf4ed1526d61e6d60ec51c55dfded286df
3
+ size 23799
splits/test/test_mutag240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8918723729725de9f53b791063597d038a06c2ebb435e7ea040ae722c21576bd
3
+ size 162192
splits/test/test_ptc_fm240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:f5b61497d97907c6f2789bb209000fb322860a2943957e444c9d161306eef62b
3
+ size 21916
splits/test/test_ptc_fm240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:aff1c8e1c42a704ea4560eb4ff3d93d219116622abd93a5d19c1202d8f7afd2b
3
+ size 162192
splits/test/test_ptc_fr240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:62d6e0599e9324af51a115b70a829c35617d929932a136adfeae664e68cd69d7
3
+ size 22080
splits/test/test_ptc_fr240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:eb19af467b8bc94bd5047f0332c9c660e2b2ef2b85a2ffef9a23f47c076e8871
3
+ size 162192
splits/test/test_ptc_mm240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6b1fda5a4c33c589365e69dd2b662195165da94666919aecc877022e2a5bcd3f
3
+ size 22422
splits/test/test_ptc_mm240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:fb4589aec6993e6e97be5cdd242e11592b5e64dc570e129255c871b77c933739
3
+ size 162192
splits/test/test_ptc_mr240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4ecb70ff2c3977ce550a10b6e8e652fb43358a27458620014d588f9e1d915641
3
+ size 21997
splits/test/test_ptc_mr240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b8a2975ce78d414d67bac3a6bd7ddd8eb14524f68496676555669b5fe92eb310
3
+ size 162192
splits/train/train_aids240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1e5c033bf85838a3528a0a6a151bf4c9a40571f539af819d2838b0f044d163a5
3
+ size 49802
splits/train/train_aids240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d7a7808aeab95c35e83135e00f21b61cf07aa285a88086055aed4f3b3df0304e
3
+ size 389229
splits/train/train_mutag240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b6b1a5d414a58df666831f2466e96c747da44fa5c9cebe53317cc4f7e3dd9133
3
+ size 57883
splits/train/train_mutag240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2b334ddef100702923f0399ba24861a1c50caa21406e4e0f6ad171c78addd6fa
3
+ size 389229
splits/train/train_ptc_fm240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b8ecd1af816145af215cd4cbd0bac1d4da873e41462a366aed4d061f212b39e0
3
+ size 51447
splits/train/train_ptc_fm240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d4edca90189a240484186283b7117a1932fb8a2cab44f9c1118833b64d12fba6
3
+ size 389229
splits/train/train_ptc_fr240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e6b16626af5ec553210475df079af95463cac6e2f8b17c358c7be0d7bdd250cf
3
+ size 51605
splits/train/train_ptc_fr240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c34c778918cfc4dc999d1e1a7985fb1d09ed790152a740d9fbf52c443f745248
3
+ size 389229
splits/train/train_ptc_mm240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:fd12f3b5e344746efc82438f792dd9846346acc18aef40a4a8c39d899c6730c0
3
+ size 51258
splits/train/train_ptc_mm240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:333d93400c1c757855c6eae86546f8ecd8432d67d130d123dccf03fa1e828669
3
+ size 389229
splits/train/train_ptc_mr240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:08341df31ffd82aa4183496f573db9c933790e39c1d391ccc392e6d8bbb44f7b
3
+ size 51750
splits/train/train_ptc_mr240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:31162c4095d81941952c287ec9bec384ef61a762969b5d7faa34d8ca7fbffc30
3
+ size 389229
splits/val/val_aids240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6317e1c86f1ee18a57eb797751dbe72fd3ab0fb4bd9895767397950b56ce005f
3
+ size 13309
splits/val/val_aids240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d88b5cffab6fb64c1377f5b750506e40c7fbc44b7e5cadea1e40318f6f365145
3
+ size 97323
splits/val/val_mutag240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c108648b184e4de338ceb542ca47b30e179131fe8855dc8eb31fb8a3f9ab94fe
3
+ size 14922
splits/val/val_mutag240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6f718464a880aeb91d366b4ecfd3fe4f6a016e1a6fab22c1b600cffca1486395
3
+ size 97323
splits/val/val_ptc_fm240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:066d40a1ac6921a834cf8d413eac99869678698317ddb2afd6b0d521cb311bf5
3
+ size 13170
splits/val/val_ptc_fm240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:148d6814e927e6bd7706cce297fbf9bf9e66c6c6843a09437c757a649f068495
3
+ size 97323
splits/val/val_ptc_fr240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c5277eb970c7550b9f15a8b9081ac2f3108429d1d7970434b2b9e50c661ca8dd
3
+ size 13233
splits/val/val_ptc_fr240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b9ef39430db2f292bfab3c57c0677de98144a5d98de44a2455cbae224c4ca287
3
+ size 97323
splits/val/val_ptc_mm240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e2661d9bb048347870a7e577ce09a75bae812297bb6b9320dcc91034f34ec072
3
+ size 13178
splits/val/val_ptc_mm240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:721a7b2d6b2aa3664c485a82ca09e9567f74385465fe1d0adc762f181a9adcc0
3
+ size 97323
splits/val/val_ptc_mr240k_query_subgraphs.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e3c067abe2a8188619012d31e869dc195e5ad29e3d1d5c303a7cfd59f7893107
3
+ size 13703
splits/val/val_ptc_mr240k_rel_nx_is_subgraph_iso.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8493e4278ed4ec8c9516a3647cf7303f6a03d9afc3ae54163d917467e70527d6
3
+ size 97323