ICML 2023

Recurrent Distance Filtering for Graph Representation Learning

Yuhui Ding, Antonio Orvieto, Bobby He, Thomas Hofmann

Main figure for Recurrent Distance Filtering for Graph Representation Learning

Abstract

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly, but lack graph inductive bias and have to rely on ad-hoc positional encoding. In this paper, we propose a new architecture to reconcile these challenges. Our approach stems from the recent breakthroughs in long-range modeling provided by deep state-space models: for a given target node, our model aggregates other nodes by their shortest distances to the target and uses a linear RNN to encode the sequence of hop representations. The linear RNN is parameterized in a particular diagonal form for stable long-range signal propagation and is theoretically expressive enough to encode the neighborhood hierarchy. With no need for positional encoding, we empirically show that the performance of our model is comparable to or better than that of state-of-the-art graph transformers on various benchmarks, with a significantly reduced computational cost. Our code is open-source at https://github.com/skeletondyh/GRED.

Benchmark Results

Tested on 6 datasets

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

LRGB

#ModelMAE ↓Paper
1
GCN
0.2421 ±0.0016
2
IPR-MPNN
0.2422 ±0.0007
3
TANGO-GPS
0.2422 ±0.0014
5
GIN
0.2429 ±0.0019
27
GRED
actual #27 vs paper #90 63 places worse
0.2455 ±0.0013
best reported
actual #27 vs paper #90 63 places worse
paper 0.2503 ±0.0019
paper 0.2503 ±0.0019 Δ today 0.0048
32
GRIT
0.2460 ±0.0012
This paper
56
Graph-MLPMixer
0.2475 ±0.0015
This paper
85
GPS
actual #85 vs paper #85
0.2500 ±0.0005
actual #85 vs paper #85
paper 0.2500 ±0.0005

Improvement within reported uncertainty; not highlighted.

paper 0.2500 ±0.0005 Δ at pub 0.0009
115
DRew
actual #115 vs paper #165 50 places worse
0.2536 ±0.0015
best reported
actual #115 vs paper #165 50 places worse
paper 0.2781 ±0.0028
best today: Cooperative Sheaf Neural Networks (ICLR 2025)
paper 0.2781 ±0.0028 Δ today 0.0245
122
PathNN
0.2540 ±0.0046
This paper
201
MLP
0.4351 ±0.0008
#ModelAP ↑Paper
1
S^2GCN
0.7311 ±0.0066
2
S4G
0.7293 ±0.0004
3
BuNN
0.7276 ±0.0065
4
GCN
0.7261 ±0.0011
13
DRew
actual #13 vs paper #34 21 places worse
0.7150 ±0.0044
best reported
actual #13 vs paper #34 21 places worse
paper 0.6996 ±0.0076
paper 0.6996 ±0.0076 Δ today 0.0154
14
DRew+LapPE
0.7150 ±0.0044
This paper
16
GRED+LapPE
0.7133 ±0.0011
This paper
21
GRED
0.7085 ±0.0027
This paper
36
GRIT
0.6988 ±0.0082
This paper
56
PathNN
0.6816 ±0.0026
This paper
87
GPS
actual #87 vs paper #91 4 places worse
0.6562 ±0.0115
best reported
actual #87 vs paper #91 4 places worse
paper 0.6535 ±0.0041

Difference within reported uncertainty; not counted as underperformance.

paper 0.6535 ±0.0041 Δ at pub 0.0027
181
MLP
0.4060 ±0.0021

GNNBenchmark

#ModelAccuracy ↑Paper
1
Schrödinger
0.9913 ±0.0004
2
CNN
0.9907 ±0.0007
3
MPNN
0.9895 ±0.0006
11
GatedGCN
0.9855 ±0.0002
27
GRED
0.9838 ±0.0001
This paper
30
Graph MLP-Mixer
actual #30 vs paper #32 2 places worse
0.9835 ±0.0010
best reported
actual #30 vs paper #32 2 places worse
paper 0.9832 ±0.0004

Difference within reported uncertainty; not counted as underperformance.

paper 0.9832 ±0.0004 Δ today 0.0003
32
GIN
0.9833 ±0.0011
56
GRIT
0.9811 ±0.0011
This paper
126
MLP
0.9534 ±0.0014
#ModelAccuracy ↑Paper
1
RandAlign
0.7942 ±0.0007
2
differential encoding
0.7907 ±0.0027
3
PPGT
0.7856 ±0.0070
5
GRED
0.7685 ±0.0019
This paper
30
Graph MLP-Mixer
0.7396 ±0.0033
This paper
62
GatedGCN
0.7133 ±0.0039
92
GraphSAGE
0.6690 ±0.0020
126
MLP
0.5634 ±0.0018
#ModelAccuracy ↑Paper
1
GRPE-Small
0.8159 ±0.0019
2
TANGO-GPS
0.8011 ±0.0014
3
GRIT
0.8003 ±0.0028
11
GRED
0.7850 ±0.0010
This paper
25
SAT
0.7786 ±0.0010
This paper
54
GatedGCN
0.7608 ±0.0020
70
GCN
actual #70 vs paper #70
0.6903 ±0.0137
actual #70 vs paper #70
paper 0.6903 ±0.0137

Improvement within reported uncertainty; not highlighted.

paper 0.6903 ±0.0137 Δ at pub 0.0053
79
GIN
0.6472 ±0.0155
114
MLP
0.2097 ±0.0000
#ModelAccuracy ↑Paper
1
DeepGraph (48)
0.9066 ±0.0006
2
GRIT (our run)
0.9041 ±0.0023
3
GRIT 2-QiQRW
0.9016 ±0.0045
6
GRIT
actual #6 vs paper #7 1 place worse
0.8722 ±0.0003
best reported
actual #6 vs paper #7 1 place worse
paper 0.8720 ±0.0008

Difference within reported uncertainty; not counted as underperformance.

paper 0.8720 ±0.0008 Δ today 0.0002
22
SAT
0.8685 ±0.0004
This paper
34
GRED
actual #34 vs paper #34
0.8676 ±0.0200
best reported
actual #34 vs paper #34
paper 0.8676 ±0.0002

Difference within reported uncertainty; not counted as underperformance.

paper 0.8676 ±0.0002 Δ today 0.0000
66
GatedGCN
0.8651 ±0.0008
88
GCN
actual #88 vs paper #88
0.8561 ±0.0003
actual #88 vs paper #88
paper 0.8561 ±0.0003
prev best: GNNBenchmark (JMLR 2023)
paper 0.8561 ±0.0003 Δ at pub 0.0012
89
GIN
0.8559 ±0.0001
123
MLP
0.5052
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best at pub — reported value improved over the best known when published Best today — OK at publication; today's leaderboard best is elsewhere