ICLR 2021

Large-Scale Representation Learning on Graphs via Bootstrapping

S. Thakoor, Corentin Tallec, M. G. Azar, Mehdi Azabou, Eva L. Dyer, R. Munos, Petar Velivckovi'c, Michal Valko

Main figure for Large-Scale Representation Learning on Graphs via Bootstrapping

Abstract

Self-supervised learning provides a promising path towards eliminating the need for costly label information in representation learning on graphs. However, to achieve state-of-the-art performance, methods often need large numbers of negative examples and rely on complex augmentations. This can be prohibitively expensive, especially for large graphs. To address these challenges, we introduce Bootstrapped Graph Latents (BGRL) - a graph representation learning method that learns by predicting alternative augmentations of the input. BGRL uses only simple augmentations and alleviates the need for contrasting with negative examples, and is thus scalable by design. BGRL outperforms or matches prior methods on several established benchmarks, while achieving a 2-10x reduction in memory costs. Furthermore, we show that BGRL can be scaled up to extremely large graphs with hundreds of millions of nodes in the semi-supervised regime - achieving state-of-the-art performance and improving over supervised baselines where representations are shaped only through label information. In particular, our solution centered on BGRL constituted one of the winning entries to the Open Graph Benchmark - Large Scale Challenge at KDD Cup 2021, on a graph orders of magnitudes larger than all previously available benchmarks, thus demonstrating the scalability and effectiveness of our approach.

Benchmark Results

Tested on 2 datasets

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

Classic

#ModelF1 ↑Paper
1
GAMLP(JK)
0.9982 ±0.0001
2
GraphCON-GCN
0.9960
3
GCNII
0.9953 ±0.0001
21
GCN
0.9850
124
BGRL GAT encoder
0.7049 ±0.0005
This paper
127
GRACE GAT encoder
0.6971 ±0.0017
This paper
128
GRACE MeanPooling encoder
0.6966 ±0.0015
This paper
131
BGRL MeanPooling encoder
0.6941 ±0.0015
This paper
173
MLP
0.4620
#ModelAccuracy ↑Paper
1
GCN
0.9302 ±0.0011
2
RSE + RGCN (70b)
0.8852 ±0.0019
3
LEMP+T
0.8825
9
SAGE
0.8771
94
GRACE
0.8014 ±0.4800
This paper
100
BGRL
actual #100 vs paper #100
0.8000 ±0.0010
best reported
actual #100 vs paper #100
paper 0.7998 ±0.1000

Difference within reported uncertainty; not counted as underperformance.

paper 0.7998 ±0.1000 Δ today 0.0002
139
Random-Init
0.7895 ±0.5800
This paper
237
MLP
0.7469 ±0.0085
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers)