用模仿学习训练神经网络生成图,解决传统方法的表示难题。
Building Deep Graph Predictors with Graph Imitation Learning
- 通过马尔可夫决策过程逐步生成图嵌入,避开固定网格表示
- 在18个基准上表现媲美或超过当前最优方法
- 适合需要精确图生成的监督学习场景
近年来,文本、图像和音频的神经生成取得了显著进展,得益于成熟的训练流程和大规模优化。然而,图结构的生成进展相对有限。我们认为这一差距源于图特有的优化与表征挑战,这些挑战削弱了基于反向传播和梯度下降训练神经网络的效果。现有监督图预测模型常将图映射到固定尺寸的欧几里得网格,但这种做法可能并非最优。本文分析了神经图生成方法,揭示了训练神经网络直接输出图时的理论困境。为此,我们提出图形模仿学习(GRAIL)框架,用于在监督设置下训练神经网络,其监督信号为图。GRAIL通过在部分图嵌入上的马尔可夫决策过程逐步生成图,避免了固定网格表示带来的问题。实验表明,GRAIL在18个基准任务上取得有竞争力的结果,在多个场景中达到或超越现有最佳性能。
原文摘要 · Abstract (English)
Recent years have seen substantial progress in neural generation of text, images, and audio, supported by mature training pipelines and large-scale optimization. For graphs, however, comparable progress has been more limited. We attribute this gap to graph-specific optimization and representation challenges that undermine the effectiveness of training neural networks with backpropagation and gradient descent. We argue that representing graphs on a fixed-size Euclidean grid, as is common in recently proposed models for supervised graph prediction, may not be the optimal choice in these settings. To support our view, we provide an analysis of neural graph generation methods and identify theoretical challenges that lead to pitfalls when training neural networks to produce graphs as their output. Motivated by this analysis, we introduce \textbf{GRA}ph~\textbf{I}mitation~\textbf{L}earning~(GRAIL), a framework for training neural networks in supervised settings in which the supervision signal is a graph. GRAIL generates graphs sequentially through a Markov decision process over embeddings of partial graphs, thereby avoiding the representation issues associated with fixed-size grid graph representations. We empirically show that GRAIL achieves competitive results on supervised graph prediction across a comprehensive suite of 18 benchmarks, matching or surpassing state-of-the-art methods in several settings.
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