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MMD Graph Kernel: Effective Metric Learning for Graphs via Maximum Mean Discrepancy

ICLR 2024 · Graph learning › Graph algorithms and clustering · approach: Graph embedding and spectral sparsification

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Proposes MMD-based graph kernels (MMD-GK) that apply maximum mean discrepancy to message-passing node representations, plus deep, unsupervised-learnable variants for graph metric learning.

Problem

Learning effective metrics/similarity measures between graphs for graph-level tasks, where existing graph kernels and metrics may be inadequate.

Approach

Computes graph kernels by applying maximum mean discrepancy to node representations obtained via message-passing propagation, and extends this to deep MMD graph kernels that learn kernel and implicit graph features adaptively in an unsupervised manner.

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