ICML 2023

Evolving Computation Graphs

Andreea Deac Mila – Qu\'ebec AI Institute Universit\'e de Montr\'eal, Jian Tang Mila – Qu\'ebec AI Institute HEC Montr\'eal

Main figure for Evolving Computation Graphs

Abstract

Graph neural networks (GNNs) have demonstrated success in modeling relational data, especially for data that exhibits homophily: when a connection between nodes tends to imply that they belong to the same class. However, while this assumption is true in many relevant situations, there are important real-world scenarios that violate this assumption, and this has spurred research into improving GNNs for these cases. In this work, we propose Evolving Computation Graphs (ECGs), a novel method for enhancing GNNs on heterophilic datasets. Our approach builds on prior theoretical insights linking node degree, high homophily, and inter vs intra-class embedding similarity by rewiring the GNNs’ computation graph towards adding edges that connect nodes that are likely to be in the same class. We utilise weaker classifiers to identify these edges, ultimately improving GNN performance on non-homophilic data as a result. We evaluate ECGs on a diverse set of recently-proposed heterophilous datasets and demonstrate improvements over the relevant baselines. ECG presents a simple, intuitive and elegant approach for improving GNN performance on heterophilic datasets without requiring prior domain knowledge.

Benchmark Results

Tested on 5 datasets

Tables show presented results in global context (best 3 papers + GCN + MLP).

Heterophily Benchmark

#ModelAccuracy ↑Paper
1
Dir-Poly
0.9451 ±0.0022
2
D-CDE
0.9387 ±0.0041
3
LargeScaleNet
0.9358 ±0.0024
26
GraphSAGE
0.9106 ±0.0027
30
ECG-GAT-sep
0.8962 ±0.0018
This paper
31
BGRL-ECG-GAT-sep
0.8962 ±0.0018
This paper
32
ECG-GT-sep
0.8956 ±0.0016
This paper
33
BGRL-ECG-GT-sep
0.8956 ±0.0016
This paper
40
GAT-sep
0.8875 ±0.0041
This paper
41
MLPBGRL-GAT-sep
0.8873 ±0.0037
This paper
42
MLPBGRL-GT-sep
0.8870 ±0.0030
This paper
43
MLP->GNN-ECG-GT-sep
0.8862 ±0.0046
This paper
44
MLP-ECG-GT-sep
0.8856 ±0.0035
This paper
46
MLP-ECG-GAT-sep
0.8822 ±0.0036
This paper
48
MLP->GNN-ECG-GAT-sep
0.8804 ±0.0032
This paper
49
ECG-SAGE
0.8788 ±0.0025
This paper
50
BGRL-ECG-SAGE
0.8788 ±0.0025
This paper
54
GT-sep
0.8732 ±0.0039
This paper
60
MLPBGRL-ECG-SAGE
0.8650 ±0.0034
This paper
62
MLP->GNN-ECG-SAGE
0.8594 ±0.0057
This paper
63
MLP-ECG-SAGE
0.8582 ±0.0062
This paper
64
SAGE
0.8574 ±0.0067
This paper
68
ECG-GCN
0.8453 ±0.0026
This paper
69
MLPBGRL-ECG-GCN
0.8453 ±0.0026
This paper
71
MLP->GNN-ECG-GCN
0.8439 ±0.0022
This paper
74
MLP-ECG-GCN
0.8355 ±0.0039
This paper
77
GCN
actual #77 vs paper #113 36 places worse
0.8272 ±0.0082
best reported
actual #77 vs paper #113 36 places worse
paper 0.7369 ±0.0074
86
BGRL-ECG-GCN
0.8059 ±0.0048
This paper
92
FSGNN
0.7992 ±0.0056
This paper
107
GBK-GNN
actual #107 vs paper #109 2 places worse
0.7587 ±0.0043
best reported
actual #107 vs paper #109 2 places worse
paper 0.7457 ±0.0047
paper 0.7457 ±0.0047 Δ today 0.0130
108
FAGCN
actual #108 vs paper #142 34 places worse
0.7571 ±0.0139
best reported
actual #108 vs paper #142 34 places worse
paper 0.6522 ±0.0056
paper 0.6522 ±0.0056 Δ today 0.1049
114
GPR-GNN
actual #114 vs paper #144 30 places worse
0.7337 ±0.0068
best reported
actual #114 vs paper #144 30 places worse
paper 0.6485 ±0.0027
paper 0.6485 ±0.0027 Δ today 0.0852
122
JacobiConv
0.7114 ±0.0042
This paper
129
H2GCN
actual #129 vs paper #164 35 places worse
0.6809 ±0.0029
best reported
actual #129 vs paper #164 35 places worse
paper 0.6011 ±0.0052
paper 0.6011 ±0.0052 Δ today 0.0798
135
MLP
actual #135 vs paper #140 5 places worse
0.6665 ±0.0047
best reported
actual #135 vs paper #140 5 places worse
paper 0.6588 ±0.0038
paper 0.6588 ±0.0038 Δ today 0.0077
141
ResNet
0.6588 ±0.0038
This paper
152
CPGNN
0.6396 ±0.0062
This paper
154
GloGNN
actual #154 vs paper #167 13 places worse
0.6385 ±0.0049
best reported
actual #154 vs paper #167 13 places worse
paper 0.5963 ±0.0069
paper 0.5963 ±0.0069 Δ today 0.0422
#ModelAccuracy ↑Paper
1
UniGAP
0.6375 ±0.0110
2
H2GCN + HalfHop
0.5961 ±0.0100
3
GraphSAGE + HalfHop
0.5897 ±0.0150
7
H2GCN
actual #7 vs paper #196 189 places worse
0.5681 ±0.0090
best reported
actual #7 vs paper #196 189 places worse
paper 0.3647 ±0.0023
12
SAGE
actual #12 vs paper #30 18 places worse
0.5569 ±0.0023
best reported
actual #12 vs paper #30 18 places worse
paper 0.5363 ±0.0039
15
GraphSAGE
0.5540 ±0.0020
24
GCN
actual #24 vs paper #111 87 places worse
0.5411 ±0.0034
best reported
actual #24 vs paper #111 87 places worse
paper 0.4870 ±0.0063
29
ECG-GAT-sep
0.5365 ±0.0039
This paper
30
MLP->GNN-ECG-GAT-sep
0.5365 ±0.0039
This paper
36
ECG-SAGE
0.5345 ±0.0027
This paper
37
MLP->GNN-ECG-SAGE
0.5345 ±0.0027
This paper
38
MLP-ECG-SAGE
0.5332 ±0.0039
This paper
41
ECG-GT-sep
0.5325 ±0.0039
This paper
42
MLP->GNN-ECG-GT-sep
0.5325 ±0.0039
This paper
44
BGRL-ECG-SAGE
0.5312 ±0.0032
This paper
46
MLP-ECG-GAT-sep
0.5298 ±0.0030
This paper
50
FSGNN
0.5274 ±0.0083
This paper
52
GAT-sep
0.5270 ±0.0062
This paper
54
MLP-ECG-GT-sep
0.5268 ±0.0065
This paper
57
BGRL-ECG-GT-sep
0.5237 ±0.0030
This paper
58
MLPBGRL-ECG-SAGE
0.5234 ±0.0092
This paper
59
MLPBGRL-GT-sep
0.5229 ±0.0060
This paper
60
BGRL-ECG-GAT-sep
0.5220 ±0.0057
This paper
62
GT-sep
0.5218 ±0.0080
This paper
73
ECG-GCN
0.5112 ±0.0038
This paper
74
MLP->GNN-ECG-GCN
0.5112 ±0.0038
This paper
76
MLPBGRL-GAT-sep
0.5106 ±0.0073
This paper
78
MLP-ECG-GCN
0.5099 ±0.0064
This paper
84
MLP
actual #84 vs paper #140 56 places worse
0.5058
best reported
actual #84 vs paper #140 56 places worse
paper 0.4590 ±0.0052
paper 0.4590 ±0.0052 Δ today 0.0468
90
MLPBGRL-ECG-GCN
0.5011 ±0.0060
This paper
103
GPR-GNN
actual #103 vs paper #148 45 places worse
0.4937 ±0.0071
best reported
actual #103 vs paper #148 45 places worse
paper 0.4488 ±0.0034
paper 0.4488 ±0.0034 Δ today 0.0449
107
BGRL-ECG-GCN
0.4899 ±0.0028
This paper
114
JacobiConv
actual #114 vs paper #162 48 places worse
0.4853 ±0.0096
best reported
actual #114 vs paper #162 48 places worse
paper 0.4355 ±0.0048
paper 0.4355 ±0.0048 Δ today 0.0498
137
FAGCN
actual #137 vs paper #156 19 places worse
0.4632 ±0.0250
best reported
actual #137 vs paper #156 19 places worse
paper 0.4412 ±0.0030

Difference within reported uncertainty; not counted as underperformance.

paper 0.4412 ±0.0030 Δ today 0.0220
140
GBK-GNN
0.4598 ±0.0071
This paper
141
ResNet
0.4590 ±0.0052
This paper
154
CPGNN
actual #154 vs paper #188 34 places worse
0.4436 ±0.0035
best reported
actual #154 vs paper #188 34 places worse
paper 0.3979 ±0.0077
paper 0.3979 ±0.0077 Δ today 0.0457
196
GloGNN
actual #196 vs paper #196
0.3728 ±0.0066
best reported
actual #196 vs paper #196
paper 0.3689 ±0.0014

Difference within reported uncertainty; not counted as underperformance.

paper 0.3689 ±0.0014 Δ today 0.0039
#ModelROC-AUC ↑Paper
1
BuNN
0.9899 ±0.0016
2
DC-GNN
0.9850 ±0.0021
3
Tango -GPS
0.9839 ±0.0054
21
ECG-GAT-sep
0.9452 ±0.0020
This paper
22
MLP-ECG-GAT-sep
0.9452 ±0.0020
This paper
23
MLPBGRL-GAT-sep
0.9439 ±0.0020
This paper
27
BGRL-ECG-GAT-sep
0.9424 ±0.0015
This paper
29
ECG-SAGE
0.9411 ±0.0007
This paper
30
BGRL-ECG-SAGE
0.9411 ±0.0007
This paper
31
MLP-ECG-SAGE
0.9410 ±0.0008
This paper
33
MLPBGRL-ECG-SAGE
0.9401 ±0.0007
This paper
35
MLP->GNN-ECG-GAT-sep
0.9397 ±0.0019
This paper
37
GAT-sep
0.9391 ±0.0035
This paper
39
MLP->GNN-ECG-SAGE
0.9377 ±0.0012
This paper
40
ECG-GT-sep
0.9362 ±0.0027
This paper
41
MLP-ECG-GT-sep
0.9362 ±0.0027
This paper
42
GraphSAGE
0.9358 ±0.0005
43
BGRL-ECG-GT-sep
0.9355 ±0.0018
This paper
44
MLPBGRL-GT-sep
0.9352 ±0.0025
This paper
46
SAGE
0.9351 ±0.0057
This paper
50
MLP->GNN-ECG-GT-sep
0.9269 ±0.0034
This paper
51
ECG-GCN
0.9263 ±0.0010
This paper
52
MLP-ECG-GCN
0.9263 ±0.0010
This paper
54
MLP->GNN-ECG-GCN
0.9256 ±0.0023
This paper
55
MLPBGRL-ECG-GCN
0.9247 ±0.0050
This paper
56
BGRL-ECG-GCN
0.9235 ±0.0010
This paper
57
GT-sep
0.9229 ±0.0047
This paper
68
GCN
actual #68 vs paper #88 20 places worse
0.9150 ±0.0006
best reported
actual #68 vs paper #88 20 places worse
paper 0.8975 ±0.0052
paper 0.8975 ±0.0052 Δ today 0.0175
76
GBK-GNN
0.9085 ±0.0058
This paper
83
FSGNN
0.9008 ±0.0070
This paper
85
H2GCN
actual #85 vs paper #88 3 places worse
0.8995 ±0.0038
best reported
actual #85 vs paper #88 3 places worse
paper 0.8971 ±0.0031

Difference within reported uncertainty; not counted as underperformance.

paper 0.8971 ±0.0031 Δ today 0.0024
91
FAGCN
actual #91 vs paper #103 12 places worse
0.8969 ±0.0060
best reported
actual #91 vs paper #103 12 places worse
paper 0.8817 ±0.0073
paper 0.8817 ±0.0073 Δ today 0.0152
93
JacobiConv
0.8966 ±0.0040
This paper
110
GPR-GNN
0.8624 ±0.0061
This paper
137
CPGNN
actual #137 vs paper #155 18 places worse
0.7127 ±0.0114
best reported
actual #137 vs paper #155 18 places worse
paper 0.5203 ±0.0546
paper 0.5203 ±0.0546 Δ today 0.1924
148
GloGNN
actual #148 vs paper #155 7 places worse
0.6253 ±0.0134
best reported
actual #148 vs paper #155 7 places worse
paper 0.5108 ±0.0123
paper 0.5108 ±0.0123 Δ today 0.1145
156
MLP
actual #156 vs paper #158 2 places worse
0.5099 ±0.0147
best reported
actual #156 vs paper #158 2 places worse
paper 0.5089 ±0.0139

Difference within reported uncertainty; not counted as underperformance.

paper 0.5089 ±0.0139 Δ today 0.0010
157
ResNet
actual #157 vs paper #158 1 place worse
0.5095 ±0.0112
best reported
actual #157 vs paper #158 1 place worse
paper 0.5089 ±0.0139

Difference within reported uncertainty; not counted as underperformance.

paper 0.5089 ±0.0139 Δ today 0.0006
#ModelROC-AUC ↑Paper
1
Polynormer-r
0.8591 ±0.0074
2
DC-GNN
0.8588 ±0.0081
3
TANGO-GPS
0.8566 ±0.0101
18
ECG-GCN
0.8481 ±0.0025
This paper
19
MLP-ECG-GCN
0.8481 ±0.0025
This paper
22
MLPBGRL-ECG-GCN
0.8473 ±0.0023
This paper
31
MLP->GNN-ECG-GCN
0.8435 ±0.0031
This paper
32
BGRL-ECG-GCN
0.8425 ±0.0022
This paper
33
ECG-GAT-sep
0.8423 ±0.0025
This paper
34
BGRL-ECG-GAT-sep
0.8423 ±0.0025
This paper
36
MLPBGRL-GAT-sep
0.8411 ±0.0023
This paper
37
ECG-GT-sep
0.8400 ±0.0024
This paper
38
MLPBGRL-GT-sep
0.8400 ±0.0024
This paper
40
MLP-ECG-GAT-sep
0.8391 ±0.0032
This paper
41
GAT-sep
0.8378 ±0.0043
This paper
45
MLP->GNN-ECG-GAT-sep
0.8375 ±0.0030
This paper
49
MLP-ECG-GT-sep
0.8365 ±0.0029
This paper
50
GCN
0.8364 ±0.0067
This paper
57
MLP->GNN-ECG-GT-sep
0.8341 ±0.0044
This paper
63
BGRL-ECG-GT-sep
0.8297 ±0.0026
This paper
66
FSGNN
0.8276 ±0.0061
This paper
68
ECG-SAGE
0.8261 ±0.0029
This paper
69
BGRL-ECG-SAGE
0.8261 ±0.0029
This paper
70
MLP-ECG-SAGE
0.8260 ±0.0023
This paper
71
MLPBGRL-ECG-SAGE
0.8255 ±0.0018
This paper
73
GT-sep
0.8252 ±0.0092
This paper
74
MLP->GNN-ECG-SAGE
0.8252 ±0.0022
This paper
76
SAGE
0.8243 ±0.0044
This paper
77
GraphSAGE
0.8243 ±0.0044
85
GBK-GNN
0.8101 ±0.0067
This paper
113
H2GCN
actual #113 vs paper #141 28 places worse
0.7815
best reported
actual #113 vs paper #141 28 places worse
paper 0.7335 ±0.0101
116
FAGCN
actual #116 vs paper #122 6 places worse
0.7812
best reported
actual #116 vs paper #122 6 places worse
paper 0.7775 ±0.0105

Difference within reported uncertainty; not counted as underperformance.

paper 0.7775 ±0.0105 Δ today 0.0037
139
MLP
actual #139 vs paper #141 2 places worse
0.7362 ±0.0020
best reported
actual #139 vs paper #141 2 places worse
paper 0.7295 ±0.0106

Difference within reported uncertainty; not counted as underperformance.

paper 0.7295 ±0.0106 Δ today 0.0067
140
GloGNN
0.7339 ±0.0117
This paper
141
CPGNN
0.7336 ±0.0101
This paper
142
ResNet
0.7295 ±0.0106
This paper
143
GPR-GNN
0.7294 ±0.0097
This paper
154
JacobiConv
0.6866 ±0.0065
This paper
#ModelROC-AUC ↑Paper
1
NID_GAT
0.9703 ±0.0002
2
NID_GCN
0.9685 ±0.0010
3
UniGAP
0.8421 ±0.0080
13
H2GCN
actual #13 vs paper #131 118 places worse
0.7928 ±0.0080
best reported
actual #13 vs paper #131 118 places worse
paper 0.6359 ±0.0146
16
GCN
actual #16 vs paper #62 46 places worse
0.7902 ±0.0060
best reported
actual #16 vs paper #62 46 places worse
paper 0.7609 ±0.0127
21
FSGNN
0.7886 ±0.0092
This paper
27
ECG-GT-sep
0.7812 ±0.0032
This paper
28
BGRL-ECG-GT-sep
0.7812 ±0.0032
This paper
29
GT-sep
0.7805 ±0.0093
This paper
32
MLPBGRL-GT-sep
0.7785 ±0.0045
This paper
35
MLP-ECG-GT-sep
0.7782 ±0.0043
This paper
37
ECG-GCN
0.7750 ±0.0035
This paper
38
BGRL-ECG-GCN
0.7750 ±0.0035
This paper
39
ECG-GAT-sep
0.7738 ±0.0018
This paper
40
BGRL-ECG-GAT-sep
0.7738 ±0.0018
This paper
41
MLPBGRL-ECG-GCN
0.7732 ±0.0031
This paper
42
MLP-ECG-GAT-sep
0.7730 ±0.0047
This paper
43
FAGCN
0.7724 ±0.0126
This paper
44
ECG-SAGE
0.7723 ±0.0036
This paper
45
BGRL-ECG-SAGE
0.7723 ±0.0036
This paper
46
GraphSAGE
0.7721 ±0.0130
49
MLPBGRL-GAT-sep
0.7697 ±0.0045
This paper
54
GAT-sep
0.7679 ±0.0071
This paper
57
MLPBGRL-ECG-SAGE
0.7655 ±0.0033
This paper
58
SAGE
0.7644 ±0.0062
This paper
60
MLP-ECG-GCN
0.7625 ±0.0059
This paper
62
MLP-ECG-SAGE
0.7613 ±0.0041
This paper
69
MLP->GNN-ECG-GAT-sep
0.7561 ±0.0074
This paper
71
MLP->GNN-ECG-SAGE
0.7553 ±0.0064
This paper
72
MLP->GNN-ECG-GT-sep
0.7550 ±0.0113
This paper
77
MLP->GNN-ECG-GCN
0.7516 ±0.0087
This paper
81
GBK-GNN
0.7447 ±0.0086
This paper
85
JacobiConv
0.7388 ±0.0116
This paper
86
GPR-GNN
actual #86 vs paper #149 63 places worse
0.7341 ±0.0124
best reported
actual #86 vs paper #149 63 places worse
paper 0.5548 ±0.0091
paper 0.5548 ±0.0091 Δ today 0.1793
96
MLP
actual #96 vs paper #100 4 places worse
0.7082 ±0.0010
best reported
actual #96 vs paper #100 4 places worse
paper 0.7034 ±0.0076

Difference within reported uncertainty; not counted as underperformance.

paper 0.7034 ±0.0076 Δ today 0.0048
101
ResNet
0.7034 ±0.0076
This paper
119
GloGNN
actual #119 vs paper #123 4 places worse
0.6715 ±0.0192
best reported
actual #119 vs paper #123 4 places worse
paper 0.6574 ±0.0119

Difference within reported uncertainty; not counted as underperformance.

paper 0.6574 ±0.0119 Δ today 0.0141
120
CPGNN
actual #120 vs paper #123 3 places worse
0.6709 ±0.0263
best reported
actual #120 vs paper #123 3 places worse
paper 0.6596 ±0.0195

Difference within reported uncertainty; not counted as underperformance.

paper 0.6596 ±0.0195 Δ today 0.0113
SOTA performance (not significantly different from the best) Baseline / comparison (this paper) Global context (other papers) Best today — OK at publication; today's leaderboard best is elsewhere