Reducing oversmoothing through informed weight initialization in graph neural networks

IF 3.4 2区 计算机科学 Q2 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE
Dimitrios Kelesis, Dimitris Fotakis, Georgios Paliouras
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引用次数: 0

Abstract

In this work, we generalize the ideas of Kaiming initialization to Graph Neural Networks (GNNs) and propose a new scheme (G-Init) that reduces oversmoothing, leading to very good results in node and graph classification tasks. GNNs are commonly initialized using methods designed for other types of Neural Networks, overlooking the underlying graph topology. We analyze theoretically the variance of signals flowing forward and gradients flowing backward in the class of convolutional GNNs. We then simplify our analysis to the case of the GCN and propose a new initialization method. Results indicate that the new method (G-Init) reduces oversmoothing in deep GNNs, facilitating their effective use. Our approach achieves an accuracy of 61.60% on the CS dataset (32-layer GCN) and 69.24% on Cora (64-layer GCN), surpassing state-of-the-art initialization methods by 25.6 and 8.6 percentage points, respectively. Extensive experiments confirm the robustness of our method across multiple benchmark datasets, highlighting its effectiveness in diverse settings. Furthermore, our experimental results support the theoretical findings, demonstrating the advantages of deep networks in scenarios with no feature information for unlabeled nodes (i.e., “cold start” scenario).

通过知情权初始化减少图神经网络的过平滑
在这项工作中,我们将凯明初始化的思想推广到图神经网络(gnn)中,并提出了一种新的方案(G-Init)来减少过平滑,从而在节点和图分类任务中取得了很好的结果。gnn通常使用为其他类型的神经网络设计的方法初始化,忽略了底层的图拓扑。我们从理论上分析了卷积gnn中信号正向和梯度反向的方差。然后,我们将分析简化到GCN的情况,并提出了一种新的初始化方法。结果表明,新方法(G-Init)减少了深度gnn中的过平滑,促进了它们的有效使用。我们的方法在CS数据集(32层GCN)上实现了61.60%的准确率,在Cora(64层GCN)上实现了69.24%的准确率,分别比最先进的初始化方法高出25.6和8.6个百分点。大量的实验证实了我们的方法在多个基准数据集上的鲁棒性,突出了它在不同设置下的有效性。此外,我们的实验结果支持理论发现,证明了深度网络在未标记节点没有特征信息的情况下(即“冷启动”场景)的优势。
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来源期刊
Applied Intelligence
Applied Intelligence 工程技术-计算机:人工智能
CiteScore
6.60
自引率
20.80%
发文量
1361
审稿时长
5.9 months
期刊介绍: With a focus on research in artificial intelligence and neural networks, this journal addresses issues involving solutions of real-life manufacturing, defense, management, government and industrial problems which are too complex to be solved through conventional approaches and require the simulation of intelligent thought processes, heuristics, applications of knowledge, and distributed and parallel processing. The integration of these multiple approaches in solving complex problems is of particular importance. The journal presents new and original research and technological developments, addressing real and complex issues applicable to difficult problems. It provides a medium for exchanging scientific research and technological achievements accomplished by the international community.
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