Graph Learning with Distributional Edge Layouts

16 Sept 2023 (modified: 11 Feb 2024)Submitted to ICLR 2024EveryoneRevisionsBibTeX
Primary Area: learning on graphs and other geometries & topologies
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Keywords: graph neural networks, edge features, graph layout
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TL;DR: We propose Distributional Edge Layouts to capture the wide latent energy distribution of layouts, achieving remarkable performance improvement in multiple datasets.
Abstract: Graph Neural Networks (GNNs) learn from graph-structured data by passing local messages between neighboring nodes along edges on certain topological layouts. Typically, these topological layouts in modern GNNs are deterministically computed (e.g., attention-based GNNs) or locally sampled (e.g., GraphSage) under heuristic assumptions. In this paper, we for the first time pose that these layouts can be globally sampled out of steady-state graphs following Boltzmann distribution equipped with explicit physical energy, leading to more viable pairwise distance configurations in the physical world. We argue that a collection of sampled/optimized layouts can capture the wide energy distribution and better characterize the intrinsic properties of input topology, therefore easing downstream tasks. As such, we propose Distributional Edge Layouts (DELs) to serve as a complement to a variety of GNNs. DEL is a pre-processing strategy independent of subsequent GNN variants, thus being highly flexible. Experimental results demonstrate that DELs consistently and substantially improve a series of GNN baselines, achieving state-of-the-art performance on multiple datasets. DEL is open-sourced at https://anonymous.4open.science/r/DEL.
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Submission Number: 595
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