Adaptive negative representations for graph contrastive learning

Qi Zhang, Cheng Yang, Chuan Shi
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Abstract

Graph contrastive learning (GCL) has emerged as a promising paradigm for learning graph representations. Recently, the idea of hard negatives is introduced to GCL, which can provide more challenging self-supervised objectives and alleviate over-fitting issues. These methods use different graphs in the same mini-batch as negative examples, and assign larger weights to true hard negative ones. However, the influence of such weighting strategies is limited in practice, since a small mini-batch may not contain any challenging enough negative examples. In this paper, we aim to offer a more flexible solution to affect the hardness of negatives by directly manipulating the representations of negatives. By assuming that (1) good negative representations should not deviate far from the representations of real graph samples, and (2) the computation process of graph encoder may introduce biases to graph representations, we first design a negative representation generator (NRG) which (1) employs real graphs as prototypes to perturb, and (2) introduces parameterized perturbations through the feed-forward computation of the graph encoder to match the biases. Then we design a generation loss to train the parameters in NRG and adaptively generate negative representations for more challenging contrastive objectives. Experiments on eight benchmark datasets show that our proposed framework ANGCL has 1.6% relative improvement over the best baseline, and can be successfully integrated with three types of graph augmentations. Ablation studies and hyper-parameter experiments further demonstrate the effectiveness of ANGCL.

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图形对比学习的自适应负表征
图形对比学习(GCL)已成为一种很有前途的图形表征学习范式。最近,GCL 引入了 "硬否定"(hard negatives)的概念,它可以提供更具挑战性的自我监督目标,并缓解过度拟合问题。这些方法使用同一迷你批次中的不同图形作为负面示例,并为真正的硬负面示例分配更大的权重。然而,这种加权策略的影响在实践中是有限的,因为一个小的迷你批次可能不包含任何足够有挑战性的负面示例。在本文中,我们旨在提供一种更灵活的解决方案,通过直接操作负面示例来影响负面的硬度。通过假设(1)好的否定表示不应该与真实图样本的表示有太大偏差,以及(2)图编码器的计算过程可能会给图表示带来偏差,我们首先设计了一个否定表示生成器(NRG),它(1)采用真实图作为扰动原型,以及(2)通过图编码器的前馈计算引入参数化扰动以匹配偏差。然后,我们设计了一种生成损失来训练 NRG 中的参数,并针对更具挑战性的对比目标自适应生成负表征。在八个基准数据集上的实验表明,我们提出的框架 ANGCL 比最佳基线有 1.6% 的相对改进,并能成功地与三种类型的图增强集成。消融研究和超参数实验进一步证明了 ANGCL 的有效性。
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