AAAI 2018

Adaptive Graph Convolutional Neural Networks

Ruoyu Li, Sheng Wang, Feiyun Zhu, Junzhou Huang

Main figure for Adaptive Graph Convolutional Neural Networks

Abstract

Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph structure. However, for most real data, the graph structures varies in both size and connectivity. The paper proposes a generalized and flexible graph CNN taking data of arbitrary graph structure as input. In that way a task-driven adaptive graph is learned for each graph data while training. To efficiently learn the graph, a distance metric learning is proposed. Extensive experiments on nine graph-structured datasets have demonstrated the superior performance improvement on both convergence speed and predictive accuracy.

Proposed method: AGCN

Benchmark Results

Tested on 4 datasets

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

MoleculeNet

#ModelROC-AUC ↑Paper
1
HIMP
0.8740 ±0.0050
2
GINE w/ VN
0.8720 ±0.0030
3
NaiveGINe+ K=3 w/ VN
0.8700 ±0.0040
14
GCN
actual #14 vs paper #238 224 places worse
0.8400 ±0.0040
best reported
actual #14 vs paper #238 224 places worse
paper 0.7481
paper 0.7481 Δ today 0.0919
24
GIN
0.8290 ±0.0069
52
AGCN
0.8016
This paper
276
NFP
0.7341
This paper
302
GraphConv
0.7023
This paper
#ModelROC-AUC ↑Paper
1
SE(3)-I MPPH
0.9930 ±0.0040
2
KA-GCN
0.9920 ±0.0050
3
KA-GAT
0.9910 ±0.0050
19
GCN
actual #19 vs paper #121 102 places worse
0.9130 ±0.0170
best reported
actual #19 vs paper #121 102 places worse
paper 0.7573
paper 0.7573 Δ today 0.1557
36
GIN
0.8810 ±0.0250
47
AGCN
0.8678
This paper
60
GraphConv
actual #60 vs paper #170 110 places worse
0.8450 ±0.0510
best reported
actual #60 vs paper #170 110 places worse
paper 0.7069
134
NFP
0.7469
This paper
#ModelROC-AUC ↑Paper
1
KA-GAT
0.8470 ±0.0020
2
KA-GCN
0.8420 ±0.0010
3
GraphKAN
0.8370 ±0.0010
66
GIN
0.6403 ±0.0104
125
GCN
actual #125 vs paper #202 77 places worse
0.6150 ±0.0250
best reported
actual #125 vs paper #202 77 places worse
paper 0.5914

Difference within reported uncertainty; not counted as underperformance.

paper 0.5914 Δ today 0.0236
199
AGCN
0.5921
This paper
228
GraphConv
0.5642
This paper
231
NFP
0.5525
This paper
#ModelROC-AUC ↑Paper
1
GeomGCL
0.7630
2
LiGhT DeepGPT
0.7570 ±0.0110
3
CoMPT
0.7550
14
GCN
actual #14 vs paper #66 52 places worse
0.7350 ±0.0020
best reported
actual #14 vs paper #66 52 places worse
paper 0.6739
paper 0.6739 Δ today 0.0611
32
GIN
0.7095 ±0.0027
36
AGCN
0.7033
This paper
109
GraphConv
0.6496
This paper
134
NFP
0.6384
This paper
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best today — OK at publication; today's leaderboard best is elsewhere