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5 months ago

Graph Attention Networks

Petar Veličković; Guillem Cucurull; Arantxa Casanova; Adriana Romero; Pietro Liò; Yoshua Bengio

Graph Attention Networks

Abstract

We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph convolutions or their approximations. By stacking layers in which nodes are able to attend over their neighborhoods' features, we enable (implicitly) specifying different weights to different nodes in a neighborhood, without requiring any kind of costly matrix operation (such as inversion) or depending on knowing the graph structure upfront. In this way, we address several key challenges of spectral-based graph neural networks simultaneously, and make our model readily applicable to inductive as well as transductive problems. Our GAT models have achieved or matched state-of-the-art results across four established transductive and inductive graph benchmarks: the Cora, Citeseer and Pubmed citation network datasets, as well as a protein-protein interaction dataset (wherein test graphs remain unseen during training).

Code Repositories

taishan1994/pytorch_gat
pytorch
Mentioned in GitHub
gayanku/FDGATII
pytorch
Mentioned in GitHub
vailatuts/SSFG-regularization
pytorch
Mentioned in GitHub
ds4dm/sGat
pytorch
Mentioned in GitHub
joaopedromattos/gnee
pytorch
Mentioned in GitHub
tatp22/pytorch-fast-GAT
pytorch
Mentioned in GitHub
alexOarga/haiku-geometric
jax
Mentioned in GitHub
fanzhenliu/dagad
pytorch
Mentioned in GitHub
ColdenChan/GAT_D
tf
Mentioned in GitHub
marble0117/GNN_models_pytorch
pytorch
Mentioned in GitHub
zhangbo2008/GAT_network
pytorch
Mentioned in GitHub
shi27feng/transformers.satisfy
pytorch
Mentioned in GitHub
gmum/umwpl2021
Mentioned in GitHub
shenweichen/GraphNeuralNetwork
tf
Mentioned in GitHub
mitya8128/experiments_notes
Mentioned in GitHub
wan2000/mc-mot
pytorch
Mentioned in GitHub
WantingZhao/my_GAT
tf
Mentioned in GitHub
AngusMonroe/GAT-pytorch
pytorch
Mentioned in GitHub
Diego999/pyGAT
pytorch
Mentioned in GitHub
Aveek-Saha/Graph-Attention-Net
tf
Mentioned in GitHub
fongyk/graph-attention
pytorch
Mentioned in GitHub
galkampel/HyperNetworks
pytorch
Mentioned in GitHub
davidpicard/homm
pytorch
Mentioned in GitHub
BIG-S2/keras-gnm
Mentioned in GitHub
yururyuru00/GAT_pyG
pytorch
Mentioned in GitHub
zxhhh97/ABot
pytorch
Mentioned in GitHub
HeapHop30/graph-attention-nets
tf
Mentioned in GitHub
marble0117/GNN_models_pytorch_geometric
pytorch
Mentioned in GitHub
HazyResearch/hgcn
pytorch
Mentioned in GitHub
weiyangfb/PyTorchSparseGAT
pytorch
Mentioned in GitHub
arangoml/fastgraphml
pytorch
Mentioned in GitHub
404nofound/gat
pytorch
Mentioned in GitHub
giuseppefutia/link-prediction-code
pytorch
Mentioned in GitHub
Yindong-Zhang/myGAT
pytorch
Mentioned in GitHub
marblet/gat-pytorch
pytorch
Mentioned in GitHub
bowu/GraphSearch
pytorch
Mentioned in GitHub
4pygmalion/GAT_tensorflow
tf
Mentioned in GitHub
ChengyuSun/gat
pytorch
Mentioned in GitHub
GraphSAINT/GraphSAINT
tf
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tlmakinen/GAT-noise
pytorch
Mentioned in GitHub
marblet/GNN_models_pytorch_geometric
pytorch
Mentioned in GitHub
Kaimaoge/IGNNK
pytorch
Mentioned in GitHub
Anak2016/GAT
pytorch
Mentioned in GitHub
qema/orca-py
pytorch
Mentioned in GitHub
snowkylin/gnn
tf
Mentioned in GitHub
zhao-tong/GNNs-easy-to-use
pytorch
Mentioned in GitHub
ydzhang-stormstout/HAT
tf
Mentioned in GitHub
mlzxzhou/keras-gnm
Mentioned in GitHub
Anou9531/GAT
tf
Mentioned in GitHub
snownus/COOP
Mentioned in GitHub
ds4dm/sparse-gcn
pytorch
Mentioned in GitHub
meliketoy/graph-cnn.pytorch
pytorch
Mentioned in GitHub
ChengSashankh/trying-GAT
tf
Mentioned in GitHub
PetarV-/GAT
Official
tf
Mentioned in GitHub
anish-lu-yihe/SVRT-by-GAT
pytorch
Mentioned in GitHub
basiralab/RG-Select
pytorch
Mentioned in GitHub
danielegrattarola/keras-gat
tf
Mentioned in GitHub
Negus25/GAT-Mindspore
mindspore
Mentioned in GitHub
blueberryc/pyGAT
pytorch
Mentioned in GitHub
isotlaboratory/ml4vrp
pytorch
Mentioned in GitHub
zhanglab-aim/cancer-net
pytorch
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PumpkinYing/GAT
pytorch
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dmeoli/neuro-sat
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nnaakkaaii/g2-MLP
pytorch
Mentioned in GitHub
IllinoisGraphBenchmark/IGB-Datasets
pytorch
Mentioned in GitHub
pengsl-lab/mssl2drug
pytorch
Mentioned in GitHub
dzb1998/pyGAT
pytorch
Mentioned in GitHub
Messham87/COVID_GAT
pytorch
Mentioned in GitHub
pengsl-lab/mssl
pytorch
Mentioned in GitHub
gcucurull/jax-gat
jax
Mentioned in GitHub
gordicaleksa/pytorch-GAT
pytorch
Mentioned in GitHub
Kristof-Neys/GAT_Neo4j_DGL
tf
Mentioned in GitHub
liu6zijian/simplified-gcn-model
pytorch
Mentioned in GitHub
subercui/pyGConvAT
pytorch
Mentioned in GitHub
YunseobShin/wiki_GAT
tf
Mentioned in GitHub

Benchmarks

BenchmarkMethodologyMetrics
document-classification-on-coraGAT
Accuracy: 83.0%
graph-classification-on-cifar10-100kGAT
Accuracy (%): 65.48
graph-classification-on-ddGAT
Accuracy: 73.109±3.413
graph-classification-on-enzymesGAT
Accuracy: 78.611±1.556
graph-classification-on-imdb-bGAT
Accuracy: 84.250±2.062
graph-classification-on-nci1GAT
Accuracy: 85.109±1.107
graph-classification-on-nci109GAT
Accuracy: 82.560±0.601
graph-classification-on-proteinsGAT
Accuracy: 76.786±1.670
graph-property-prediction-on-ogbg-code2GAT
Ext. data: No
Number of params: 11030210
Test F1 score: 0.1569 ± 0.0010
Validation F1 score: 0.1442 ± 0.0017
graph-regression-on-esr2GAT
R2: 0.666±0.000
RMSE: 0.510±0.666
graph-regression-on-f2GAT
R2: 0.886±0.000
RMSE: 0.343±0.886
graph-regression-on-kitGAT
R2: 0.833±0.000
RMSE: 0.443±0.833
graph-regression-on-lipophilicityGAT
R2: 0.820±0.014
RMSE: 0.536±0.020
graph-regression-on-lipophilicity-1GAT
RMSE: 0.95
graph-regression-on-parp1GAT
R2: 0.921±0.000
RMSE: 0.353±0.921
graph-regression-on-pgrGAT
R2: 0.681±0.000
RMSE: 0.546±0.681
graph-regression-on-zinc-100kGAT
MAE: 0.463
graph-regression-on-zinc-fullGAT
Test MAE: 0.078±0.006
heterogeneous-node-classification-on-acmGAT
Macro-F1: 92.26
Micro-F1: 92.19
heterogeneous-node-classification-on-dblp-2GAT
Macro-F1: 93.83
Micro-F1: 93.39
heterogeneous-node-classification-on-freebaseGAT
Accuracy: 65.26
Macro-F1: 40.74
heterogeneous-node-classification-on-imdbGAT
Macro-F1: 58.94
Micro-F1: 64.86
molecular-property-prediction-on-esolGAT
R2: 0.930±0.007
RMSE: 0.540±0.027
molecular-property-prediction-on-freesolvGAT
R2: 0.959±0.011
RMSE: 0.791±0.101
node-classification-on-brazil-air-trafficGAT (Velickovic et al., 2018)
Accuracy: 0.382
node-classification-on-chameleon-60-20-20GAT
1:1 Accuracy: 63.9 ± 0.46
node-classification-on-citeseerGAT
Accuracy: 72.5 ± 0.7%
Training Split: fixed 20 per node
Validation: YES
node-classification-on-citeseer-05GAT
Accuracy: 38.2%
node-classification-on-citeseer-1GAT
Accuracy: 46.5%
node-classification-on-citeseer-60-20-20GAT
1:1 Accuracy: 67.20 ± 0.46
node-classification-on-citeseer-with-publicGAT
Accuracy: 72.5 ± 0.7%
node-classification-on-coraGAT
Accuracy: 83.0% ± 0.7%
Training Split: fixed 20 per node
Validation: YES
node-classification-on-cora-05GAT
Accuracy: 41.4%
node-classification-on-cora-1GAT
Accuracy: 48.6%
node-classification-on-cora-3GAT
Accuracy: 56.8%
node-classification-on-cora-60-20-20-randomGAT
1:1 Accuracy: 76.70 ± 0.42
node-classification-on-cora-with-public-splitGAT
Accuracy: 83.0 ± 0.7%
node-classification-on-cornell-60-20-20GAT
1:1 Accuracy: 76.00 ± 1.01
node-classification-on-europe-air-trafficGAT (Velickovic et al., 2018)
Accuracy: 42.4
node-classification-on-film-60-20-20-randomGAT
1:1 Accuracy: 35.98 ± 0.23
node-classification-on-flickrGAT (Velickovic et al., 2018)
Accuracy: 0.359
node-classification-on-geniusGAT
Accuracy: 55.80 ± 0.87
node-classification-on-non-homophilicGAT
1:1 Accuracy: 76.00 ± 1.01
node-classification-on-non-homophilic-1GAT
1:1 Accuracy: 71.01 ± 4.66
node-classification-on-non-homophilic-13GAT
1:1 Accuracy: 81.53 ± 0.55
node-classification-on-non-homophilic-16GAT
F1-Score: 59.89 ± 4.12
NMI: 55.80 ± 0.87
node-classification-on-non-homophilic-2GAT
1:1 Accuracy: 78.87 ± 0.86
node-classification-on-non-homophilic-4GAT
1:1 Accuracy: 63.9 ± 0.46
node-classification-on-non-homophilic-6GAT
1:1 Accuracy: 61.09±0.77
node-classification-on-pattern-100kGAT
Accuracy (%): 75.824
node-classification-on-penn94GAT
Accuracy: 81.53 ± 0.55
node-classification-on-ppiGAT
F1: 97.3
node-classification-on-pubmedGAT
Accuracy: 79.0 ± 0.3%
F1-Score: 79.0
Training Split: fixed 20 per node
Validation: YES
node-classification-on-pubmed-003GAT
Accuracy: 50.9%
node-classification-on-pubmed-005GAT
Accuracy: 50.4%
node-classification-on-pubmed-01GAT
Accuracy: 59.6%
node-classification-on-pubmed-60-20-20-randomGAT
1:1 Accuracy: 83.28 ± 0.12
node-classification-on-pubmed-with-publicGAT
Accuracy: 79.0%
node-classification-on-squirrel-60-20-20GAT
1:1 Accuracy: 42.72 ± 0.33
node-classification-on-texas-60-20-20-randomGAT
1:1 Accuracy: 78.87 ± 0.86
node-classification-on-usa-air-trafficGAT (Velickovic et al., 2018)
Accuracy: 58.5
node-classification-on-wiki-voteGAT (Velickovic et al., 2018)
Accuracy: 59.4
node-classification-on-wisconsin-60-20-20GAT
1:1 Accuracy: 71.01 ± 4.66
skeleton-based-action-recognition-on-j-hmbdGAT
10%: 58.1

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