Augmentations in Hypergraph Contrastive Learning Fabricated and Generative Tianxin Wei1 Yuning You2 Tianlong Chen3 Yang Shen2 Jingrui He1 Zhangyang Wang3

2025-05-02 0 0 819.56KB 14 页 10玖币
侵权投诉
Augmentations in Hypergraph Contrastive Learning:
Fabricated and Generative
Tianxin Wei1, Yuning You2, Tianlong Chen3, Yang Shen2, Jingrui He1, Zhangyang Wang3
1University of Illinois Urbana-Champaign, 2Texas A&M University, 3University of Texas at Austin
{twei10,jingrui}@illinois.edu,{yuning.you,yshen}@tamu.edu,
{tianlong.chen,atlaswang}@utexas.edu
Abstract
This paper targets at improving the generalizability of hypergraph neural networks
in the low-label regime, through applying the contrastive learning approach from
images/graphs (we refer to it as
HyperGCL
). We focus on the following question:
How to construct contrastive views for hypergraphs via augmentations? We pro-
vide the solutions in two folds. First, guided by domain knowledge, we
fabricate
two schemes to augment hyperedges with higher-order relations encoded, and
adopt three vertex augmentation strategies from graph-structured data. Second,
in search of more effective views in a data-driven manner, we for the first time
propose a hypergraph generative model to
generate
augmented views, and then
an end-to-end differentiable pipeline to jointly learn hypergraph augmentations
and model parameters. Our technical innovations are reflected in designing both
fabricated and generative augmentations of hypergraphs. The experimental findings
include: (i) Among fabricated augmentations in HyperGCL, augmenting hyper-
edges provides the most numerical gains, implying that higher-order information
in structures is usually more downstream-relevant; (ii) Generative augmentations
do better in preserving higher-order information to further benefit generalizability;
(iii) HyperGCL also boosts robustness and fairness in hypergraph representation
learning. Codes are released at
https://github.com/weitianxin/HyperGCL
.
1 Introduction
Hypergraphs have raised a surge of interests in the research community [
1
,
2
,
3
] due to their innate
capability of capturing higher-order relations [
4
]. They offer a powerful tool to model complicated
topological structures in broad applications, e.g., recommender systems [
5
,
6
], financial analyses
[
7
,
8
], and bioinformatics [
9
,
8
,
10
]. Concomitant with the trend, hypergraph neural networks
(HyperGNNs) have recently been developed [1, 2, 3] for hypergraph representation learning.
This paper focuses on the few-shot scenarios of hypergraphs, i.e., task-specific labels are scarce,
which are ubiquitous in real-world applications of hypergraphs [
5
,
7
,
9
] and empirically restrict the
generalizability of HyperGNNs. Inspired by the emerging self-supervised learning on images/graphs
[
11
,
12
,
13
,
14
,
15
,
16
], especially the contrastive approaches [
12
,
14
,
17
,
18
,
19
,
20
,
21
,
22
,
23
,
24
,
25], we set out to leverage contrastive self-supervision to address the problem.
Nevertheless, one challenge stands out: How to build contrastive views for hypergraphs? The success
of contrastive learning hinges on the appropriate view construction, otherwise it would result in
“negative transfer” [
12
,
14
]. However, it is non-trivial to build hypergraph views due to their overly
intricate topology, i.e., there are
PN
e=1N
e
possibilities for one hyperedge on
N
vertices, versus
N
2
for one edge in graphs. To date, the only way of contrasting is between the representations
*Equal contribution.
36th Conference on Neural Information Processing Systems (NeurIPS 2022).
arXiv:2210.03801v1 [cs.LG] 7 Oct 2022
of hypergraphs and their clique-expansion graphs [
26
,
27
], which is computationally expensive as
multiple neural networks of different modalities (hypergraphs and variants of expanded graphs) need
to be optimized. More importantly, contrasting on clique expansion has the risk of losing higher-order
information via pulling representations of hypergraphs and graphs close.
Contributions.
Motivated by [
12
,
14
] that appropriate data augmentations suffice for the effective
contrastive views, and intuitively they are more capable of preserving higher-order relations in
hypergraphs compared to clique expansion, we explore on the question in this paper, how to design
augmented views of hypergraphs in contrastive learning (
HyperGCL
). Our answers are in two folds.
We first assay whether
fabricated
augmentations guided by domain knowledge are suited for Hy-
perGCL. Since hypergraphs are composed of hyperedges and vertices, to augment hyperedges, we
propose two strategies that (i) directly perturb on hyperedges, and (ii) perturb on the “edges” between
hyperedges and vertices in the converted bipartite graph; To augment vertices, we adopt three schemes
of vertex dropping, attribute masking and subgraph from graph-structured data [
14
]. Our finding is
that, different from the fact that vertex augmentations benefit more on graphs, hypergraphs mostly ben-
efit from hyperedge augmentations (up to 9% improvement), revealing that higher-order information
encoded in hyperedges is usually more downstream-relevant (than information in vertices).
Furthermore, in search of even better augmented views but in a data-driven manner, we study
whether/how augmentations of hypergraphs could be learned during contrastive learning. To this
end, for the first time, we propose a novel variational hypergraph auto-encoder architecture, as a
hypergraph
generative
model, to parameterize a certain augmentation space of hypergraphs. In addi-
tion, we propose an end-to-end differentiable pipeline utilizing Gumbel-Softmax [
28
], to jointly learn
hypergraph augmentations and model parameters. Our observation is that generative augmentations
can better capture the higher-order information and achieve state-of-the-art performance on most of
the benchmark data sets (up to 20% improvement).
The aforementioned empirical evidences (for generalizability) are drawn from comprehensive experi-
ments on 13 datasets. Moreover, we introduce the robustness and fairness evaluation for hypergraphs,
and show that HyperGCL in addition boosts robustness against adversarial attacks and imposes
fairness with regard to sensitive attributes.
The rest of the paper is organized as follows. We discuss the related work in Section 2, introduce
HyperGCL in Section 3, present the experimental results in Section 4, and conclude in Section 5.
2 Related Work
Hypergraph neural networks.
Hypergraphs, which are able to encode higher-order relationships,
have attracted significant attentions in recent years. In the machine learning community, hypergraph
neural networks are developed for effective hypergraph representations. HGNN [
1
] adopt the clique
expansion technique and designs the weighted hypergraph Laplacian for message passing. HyperGCN
[
2
] proposes the generalized hypergraph Laplacian and explores adding the hyperedge information
through mediators. The attention mechanism [
29
,
30
] is also designed to learn the importance within
hypergraphs. However, the expanded graph will inevitably cause distortion and lead to unsatisfactory
performance. There is also another line of works such as UniGNN [
31
] and HyperSAGE [
32
] which
try to perform message passing directly on the hypergraph to avoid the information loss. A recent
work [
3
] provides an AllSet framework to unify the existing studies with high expressive power and
achieves state-of-the-art performance on comprehensive benchmarks. The work utilizes deep multiset
functions [33] to identify the propagation and aggregation rules in a data-driven manner.
Contrastive self-supervised learning.
Contrastive self-supervision [
12
,
34
,
35
] has achieved un-
precedented success in computer vision. The core idea is to learn an embedding space where samples
from the same instance are pulled closer and samples from different instances are pushed apart. Re-
cent works start to cross-pollinate between contrastive learning and graph neural networks to for more
generalizable graph representations. Typically, they design some fabricated augmentations guided by
domain knowledge, such as edge perturbation, feature masking or vertex dropping, etc. Nevertheless,
contrastive learning on hypergraphs remains largely unexplored. Most existing works [
6
,
36
,
26
,
37
]
design pretext tasks for hypergraphs and mainly focus on recommender systems [
38
,
39
,
40
,
41
], via
contrasting between graphs and hypergraphs which might lose important higher-order information.
In this work, we explore on the structure of hypergraph itself to construct contrastive views.
2
×
Figure 1: The framework of hypergraph contrastive learning (HyperGCL). The ellipses represent the
hyperedges. Two contrastive views are generated by hypergraph augmentations
A1
and
A2
from the
augmentation collection
A
.
f(·)
and
h(·)
are shared encoder and projection head respectively. In the
figure, we show two examples of hypergraph augmentations. At the top, the dotted ellipse denotes
the deleted hyperedge. At the bottom, one vertex in the dotted hyperedge is removed.
3 Methods
3.1 Hypergraph Contrastive Learning
A hypergraph is denoted as
G={V,E} ∈ G
where
V={v1, ..., v|V|}
is the set of vertices and
E={e1, ..., e|E|}
is the set of hyperedges. Each hyperedge
en={v1, ..., v|en|}
represents the
higher-order interaction among a set of vertices. State-of-the-art approaches to encode such complex
structures are hypergraph neural networks (HyperGNNs) [
1
,
2
,
3
], mapping the hypergraph to a
D-dimension latent space via f:GRDwith higher-order message passing.
Motivated from learning on images/graphs, we adopt contrastive learning to further improve the
generalizability of HyperGNNs in the low-label regime (HyperGCL). Main components of our Hy-
perGCL, similar to images/graphs [
12
,
14
] include: (i)
hypergraph augmentations for contrastive
views
, (ii) HyperGNNs as hypergraph encoders, (iii) projection head
h(·)
for representations, and (iv)
contrastive loss for optimization. The overall pipeline is shown in Figure 1. Detailed descriptions and
training procedure are shown in Appendix B. The main challenge here is how to effectively augment
hypergraphs to build contrastive views.
3.2 Fabricated Augmentations for Hypergraphs
Vertex
Hyperedge
Transform
Figure 2: Conversion from hypergraph to equivalent bipartite graph.
We first explore whether
manually designed augmen-
tations are suited for Hyper-
GCL. Since hyperedges and
vertices compose a hyper-
graph, augmentations are
fabricated with regards to
topology and node features,
respectively.
A1. Perturbing hyper-
edges.
The most direct aug-
mentation on higher-order
interactions is to perturb on
the set of hyperedges. Since adding a hyperedge is confronted with the combinatorial challenge (see
Sec. 1 of introduction), here we focus on randomly removing the existing hyperedges following an
i.i.d. Bernoulli distribution. The underlying assumption is that the partially missing higher-order
relations do not significantly affect the semantic meaning of hypergraphs.
3
摘要:

AugmentationsinHypergraphContrastiveLearning:FabricatedandGenerativeTianxinWei1,YuningYou2,TianlongChen3,YangShen2,JingruiHe1,ZhangyangWang31UniversityofIllinoisUrbana-Champaign,2TexasA&MUniversity,3UniversityofTexasatAustin{twei10,jingrui}@illinois.edu,{yuning.you,yshen}@tamu.edu,{tianlong.chen,a...

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