Bringing Your Own View: Graph Contrastive Learning without Prefabricated Data Augmentations

Yuning You, Tianlong Chen, Zhangyang Wang, Yang Shen

Main figure for Bringing Your Own View: Graph Contrastive Learning without Prefabricated Data Augmentations

Abstract

Self-supervision is recently surging at its new frontier of graph learning. It facilitates graph representations beneficial to downstream tasks; but its success could hinge on domain knowledge for handcraft or the often expensive trials and errors. Even its state-of-the-art representative, graph contrastive learning (GraphCL), is not completely free of those needs as GraphCL uses a prefabricated prior reflected by the ad-hoc manual selection of graph data augmentations. Our work aims at advancing GraphCL by answering the following questions: How to represent the space of graph augmented views? What principle can be relied upon to learn a prior in that space? And what framework can be constructed to learn the prior in tandem with contrastive learning? Accordingly, we have extended the prefabricated discrete prior in the augmentation set, to a learnable continuous prior in the parameter space of graph generators, assuming that graph priors per se, similar to the concept of image manifolds, can be learned by data generation. Furthermore, to form contrastive views without collapsing to trivial solutions due to the prior learnability, we have leveraged both principles of information minimization (InfoMin) and information bottleneck (InfoBN) to regularize the learned priors. Eventually, contrastive learning, InfoMin, and InfoBN are incorporated organically into one framework of bi-level optimization. Our principled and automated approach has proven to be competitive against the state-of-the-art graph self-supervision methods, including GraphCL, on benchmarks of small graphs; and shown even better generalizability on large-scale graphs, without resorting to human expertise or downstream validation. Our code is publicly released at.

Proposed method: LP

Benchmark Results

Tested on 1 dataset Non-standard metric on 1 dataset

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

Classic

PPI

Global leaderboard →
Non-default metric. This paper reports AUROC; the dataset default is F1. Values below use AUROC only.

Sorted by AUROC. Highlighted rows are from other papers.

#ModelAUROC ↑Paper
1
ProNet-All-Atom
0.8710
2
GVP-GNN
0.8660
3
ProNet-Backbone
0.8580
6
LP-InfoBN
0.7116 ±0.0028
This paper
7
LP
0.7010 ±0.0076
This paper
8
LP-InfoMin
0.6824 ±0.0087
This paper
9
GraphCL
0.6788 ±0.0085
This paper
11
EdgePred
0.6570 ±0.0130
This paper
12
AttrMasking
0.6520 ±0.0160
This paper
13
No pre-train.
0.6480 ±0.0100
This paper
14
ContextPred
0.6440 ±0.0130
This paper
15
Infomax
0.6410 ±0.0150
This paper
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers)