Negative-Free Self-Supervised Gaussian Embedding of Graphs

IF 6 1区 计算机科学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Neural Networks Pub Date : 2024-10-31 DOI:10.1016/j.neunet.2024.106846
Yunhui Liu, Tieke He, Tao Zheng, Jianhua Zhao
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Abstract

Graph Contrastive Learning (GCL) has recently emerged as a promising graph self-supervised learning framework for learning discriminative node representations without labels. The widely adopted objective function of GCL benefits from two key properties: alignment and uniformity, which align representations of positive node pairs while uniformly distributing all representations on the hypersphere. The uniformity property plays a critical role in preventing representation collapse and is achieved by pushing apart augmented views of different nodes (negative pairs). As such, existing GCL methods inherently rely on increasing the quantity and quality of negative samples, resulting in heavy computational demands, memory overhead, and potential class collision issues. In this study, we propose a negative-free objective to achieve uniformity, inspired by the fact that points distributed according to a normalized isotropic Gaussian are uniformly spread across the unit hypersphere. Therefore, we can minimize the distance between the distribution of learned representations and the isotropic Gaussian distribution to promote the uniformity of node representations. Our method also distinguishes itself from other approaches by eliminating the need for a parameterized mutual information estimator, an additional projector, asymmetric structures, and, crucially, negative samples. Extensive experiments over seven graph benchmarks demonstrate that our proposal achieves competitive performance with fewer parameters, shorter training times, and lower memory consumption compared to existing GCL methods.
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图的无负自监督高斯嵌入。
图对比学习(GCL)是最近出现的一种有前途的图自监督学习框架,用于学习无标签的判别节点表征。GCL 广泛采用的目标函数得益于两个关键特性:对齐性和均匀性,这两个特性可以对齐正节点对的表征,同时将所有表征均匀分布在超球面上。均匀性在防止表征坍塌方面起着至关重要的作用,它是通过将不同节点(负节点对)的增强视图推开来实现的。因此,现有的 GCL 方法本质上依赖于增加负样本的数量和质量,从而导致了繁重的计算需求、内存开销和潜在的类碰撞问题。在本研究中,我们提出了一种无负目标来实现均匀性,其灵感来自于根据归一化各向同性高斯分布的点在单位超球面上均匀分布这一事实。因此,我们可以最小化所学表征分布与各向同性高斯分布之间的距离,以促进节点表征的均匀性。我们的方法还有别于其他方法,它不需要参数化的互信息估计器、额外的投影器、非对称结构,更重要的是不需要负样本。在七个图基准上进行的广泛实验表明,与现有的 GCL 方法相比,我们的建议以更少的参数、更短的训练时间和更低的内存消耗实现了具有竞争力的性能。
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来源期刊
Neural Networks
Neural Networks 工程技术-计算机:人工智能
CiteScore
13.90
自引率
7.70%
发文量
425
审稿时长
67 days
期刊介绍: Neural Networks is a platform that aims to foster an international community of scholars and practitioners interested in neural networks, deep learning, and other approaches to artificial intelligence and machine learning. Our journal invites submissions covering various aspects of neural networks research, from computational neuroscience and cognitive modeling to mathematical analyses and engineering applications. By providing a forum for interdisciplinary discussions between biology and technology, we aim to encourage the development of biologically-inspired artificial intelligence.
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