Differential Encoding for Improved Representation Learning Over Graphs

Haimin Zhang, Jiaohao Xia, Min Xu

Main figure for Differential Encoding for Improved Representation Learning Over Graphs

Abstract

Combining the message-passing paradigm with the global attention mechanism has emerged as an effective framework for learning over graphs. The message-passing paradigm and the global attention mechanism basically generate embeddings of nodes by taking the sum of information from a node’s local neighbourhood and from the entire graph, respectively. However, this simple summation aggregation approach fails to distinguish between the information from a node itself or from the node’s neighbours. Therefore, there exists information lost at each layer of embedding generation, and this information lost could be accumulated and become more serious in deeper model layers. In this paper, we present a differential encoding method to address the issue of information lost. Instead of simply taking the sum to aggregate local or global information, we explicitly encode the difference between the information from a node itself and that from the node’s local neighbours (or from the rest of the entire graph nodes). The obtained differential encoding is then combined with the original aggregated representation to generate the updated node embedding. By combining differential encodings, the representational ability of generated node embeddings is improved, and therefore the model performance is improved. The differential encoding method is empirically evaluated on different graph tasks on seven benchmark datasets. The results show that it is a general method that improves the message-passing update and the global attention update, advancing the state-of-the-art performance for graph representation learning on these benchmark datasets.

Benchmark Results

Tested on 4 datasets 15 baseline values reported too low

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

OGB

#ModelAccuracy ↑Paper
1
A-NLSF
0.8149 ±0.0067
2
differential encoding
0.8096 ±0.0029
This paper
3
MPNN + VN + NoPE
0.8055 ±0.0038
5
GPS
0.8015 ±0.0033
This paper
8
ExpC
0.7976 ±0.0072
This paper
13
DeeperGCN
0.7712 ±0.0071
This paper
16
GatedGCN
0.7531 ±0.0083
19
K-Subtree SAT
0.7522 ±0.0056
This paper
33
GIN
actual #33 vs paper #37 4 places worse
0.7037 ±0.0107
best reported
actual #33 vs paper #37 4 places worse
paper 0.6892 ±0.0100

Difference within reported uncertainty; not counted as underperformance.

paper 0.6892 ±0.0100 Δ today 0.0145
35
GIN+virtual node
0.7037 ±0.0107
This paper
38
GCN
actual #38 vs paper #39 1 place worse
0.6857 ±0.0061
best reported
actual #38 vs paper #39 1 place worse
paper 0.6839 ±0.0084

Difference within reported uncertainty; not counted as underperformance.

paper 0.6839 ±0.0084 Δ today 0.0018
39
GCN+virtual node
0.6857 ±0.0061
This paper

LRGB

#ModelMRR ↑Paper
1
FloydNet
0.6143
2
Exphormer
0.4737 ±0.0024
3
Exphormer + LapPE
0.4737 ±0.0024
5
GPS
actual #5 vs paper #62 57 places worse
0.4703 ±0.0014
best reported
actual #5 vs paper #62 57 places worse
paper 0.3337 ±0.0006
paper 0.3337 ±0.0006 Δ at pub 0.1366
8
GatedGCN
actual #8 vs paper #77 69 places worse
0.4670 ±0.0004
best reported
actual #8 vs paper #77 69 places worse
paper 0.3218 ±0.0011
paper 0.3218 ±0.0011 Δ at pub 0.1452 Δ today 0.1452
15
GINE
actual #15 vs paper #78 63 places worse
0.4617 ±0.0005
best reported
actual #15 vs paper #78 63 places worse
paper 0.3180 ±0.0027
paper 0.3180 ±0.0027 Δ today 0.1437
16
GIN
0.4617 ±0.0005
28
GCN
actual #28 vs paper #76 48 places worse
0.4526 ±0.0006
best reported
actual #28 vs paper #76 48 places worse
paper 0.3234 ±0.0006
paper 0.3234 ±0.0006 Δ at pub 0.1292 Δ today 0.1292
46
differential encoding
0.3459 ±0.0005
This paper
56
Graph Diffuser
0.3388 ±0.0011
This paper
61
SAN+LapPE
0.3350 ±0.0003
This paper
62
SAN+RWSE
0.3341 ±0.0006
This paper
75
GatedGCN+RWSE
0.3242 ±0.0008
This paper
80
Transformer+LapPE
0.3174 ±0.0020
This paper
82
GCNII
0.3161 ±0.0004
This paper

GNNBenchmark

#ModelAccuracy ↑Paper
1
Schrödinger
0.9913 ±0.0004
2
CNN
0.9907 ±0.0007
3
MPNN
0.9895 ±0.0006
10
differential encoding
0.9856 ±0.0006
This paper
11
GatedGCN
actual #11 vs paper #90 79 places worse
0.9855 ±0.0002
best reported
actual #11 vs paper #90 79 places worse
paper 0.9734 ±0.0014
paper 0.9734 ±0.0014 Δ at pub 0.0121
13
Exphormer
0.9855 ±0.0004
This paper
18
EdgeGCN
0.9843 ±0.0006
This paper
32
GIN
actual #32 vs paper #110 78 places worse
0.9833 ±0.0011
best reported
actual #32 vs paper #110 78 places worse
paper 0.9648 ±0.0025
best at pub: Graph-Coupled Oscillator Networks (ICML 2022)
paper 0.9648 ±0.0025 Δ at pub 0.0075 Δ today 0.0184
39
TIGT
0.9823 ±0.0013
This paper
47
EGT
0.9817 ±0.0009
This paper
56
GRIT
0.9811 ±0.0011
This paper
59
GPS
actual #59 vs paper #61 2 places worse
0.9808 ±0.0011
best reported
actual #59 vs paper #61 2 places worse
paper 0.9805 ±0.0013

Difference within reported uncertainty; not counted as underperformance.

paper 0.9805 ±0.0013 Δ today 0.0003
70
GatedGCN + SSFG
0.9798 ±0.0003
This paper
73
CRaWl
0.9794 ±0.0005
This paper
75
PNA
0.9794 ±0.0012
This paper
81
Cy2C-GNNs
0.9777 ±0.0000
This paper
86
GAT
actual #86 vs paper #121 35 places worse
0.9755 ±0.0003
best reported
actual #86 vs paper #121 35 places worse
paper 0.9554 ±0.0021
paper 0.9554 ±0.0021 Δ at pub 0.0202
95
GraphSAGE
0.9731 ±0.0010
This paper
97
SAGE
0.9731 ±0.0010
102
GAT + differential enc.
0.9716 ±0.0015
This paper
126
MLP
0.9534 ±0.0014
129
3WLGNN
0.9507 ±0.0096
This paper
130
GCN + differential enc.
0.9473 ±0.0014
This paper
135
GCN
actual #135 vs paper #138 3 places worse
0.9405 ±0.0005
best reported
actual #135 vs paper #138 3 places worse
paper 0.9071 ±0.0022
paper 0.9071 ±0.0022 Δ at pub 0.0335
137
MoNet
actual #137 vs paper #137
0.9111
best reported
actual #137 vs paper #137
paper 0.9081 ±0.0003
best at pub: Graph-Coupled Oscillator Networks (ICML 2022)
paper 0.9081 ±0.0003 Δ at pub 0.0030
141
GCNII
0.9067 ±0.0014
This paper
#ModelAccuracy ↑Paper
1
RandAlign
0.7942 ±0.0007
2
differential encoding
0.7907 ±0.0027
This paper
3
PPGT
0.7856 ±0.0070
7
GRIT
0.7647 ±0.0088
This paper
12
EdgeGCN
0.7613 ±0.0040
This paper
25
Exphormer
0.7475 ±0.0019
This paper
31
TIGT
actual #31 vs paper #32 1 place worse
0.7396 ±0.0036
best reported
actual #31 vs paper #32 1 place worse
paper 0.7396 ±0.0036

Difference within reported uncertainty; not counted as underperformance.

paper 0.7396 ±0.0036 Δ today 0.0000
33
ARGNP
0.7390 ±0.0015
This paper
38
PNA
actual #38 vs paper #67 29 places worse
0.7311 ±0.0011
best reported
actual #38 vs paper #67 29 places worse
paper 0.7035 ±0.0063
paper 0.7035 ±0.0063 Δ at pub 0.0276
40
DGN
actual #40 vs paper #40
0.7284 ±0.0042
best reported
actual #40 vs paper #40
paper 0.7284 ±0.0042

Difference within reported uncertainty; not counted as underperformance.

paper 0.7284 ±0.0042 Δ at pub 0.0000
44
GIN-AK+
actual #44 vs paper #50 6 places worse
0.7239 ±0.0038
best reported
actual #44 vs paper #50 6 places worse
paper 0.7219 ±0.0013

Difference within reported uncertainty; not counted as underperformance.

paper 0.7219 ±0.0013 Δ at pub 0.0020
46
GPS
actual #46 vs paper #49 3 places worse
0.7236 ±0.0032
best reported
actual #46 vs paper #49 3 places worse
paper 0.7230 ±0.0036

Difference within reported uncertainty; not counted as underperformance.

paper 0.7230 ±0.0036 Δ today 0.0006
56
GatedGCN + SSFG
0.7194 ±0.0019
This paper
62
GatedGCN
actual #62 vs paper #90 28 places worse
0.7133 ±0.0039
best reported
actual #62 vs paper #90 28 places worse
paper 0.6731 ±0.0031
paper 0.6731 ±0.0031 Δ at pub 0.0402
80
CRaWl
0.6901 ±0.0026
This paper
82
EGT
0.6870 ±0.0041
This paper
90
GAT + differential enc.
0.6737 ±0.0042
This paper
92
GraphSAGE
actual #92 vs paper #104 12 places worse
0.6690 ±0.0020
best reported
actual #92 vs paper #104 12 places worse
paper 0.6577 ±0.0031
paper 0.6577 ±0.0031 Δ at pub 0.0113
101
GAT
actual #101 vs paper #112 11 places worse
0.6611 ±0.0098
best reported
actual #101 vs paper #112 11 places worse
paper 0.6422 ±0.0046
paper 0.6422 ±0.0046 Δ at pub 0.0189
103
MoNet
actual #103 vs paper #129 26 places worse
0.6591 ±0.0251
best reported
actual #103 vs paper #129 26 places worse
paper 0.5465 ±0.0052
paper 0.5465 ±0.0052 Δ at pub 0.1126
104
SAGE
0.6577 ±0.0031
109
GIN
actual #109 vs paper #129 20 places worse
0.6510 ±0.0050
best reported
actual #109 vs paper #129 20 places worse
paper 0.5525 ±0.0153
paper 0.5525 ±0.0153 Δ at pub 0.0985
112
Cy2C-GNNs
0.6429 ±0.0001
This paper
117
GCN + differential enc.
0.6202 ±0.0036
This paper
123
3WLGNN
0.5917 ±0.0159
This paper
124
GCN
actual #124 vs paper #128 4 places worse
0.5839 ±0.0073
best reported
actual #124 vs paper #128 4 places worse
paper 0.5571 ±0.0038
paper 0.5571 ±0.0038 Δ at pub 0.0268
126
MLP
0.5634 ±0.0018
128
GCNII
0.5608 ±0.0020
This paper
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best at pub — reported result worse than the best known when published (best reported in green) Best today — OK at publication; today's leaderboard best is elsewhere