Learning to Execute Graph Algorithms Exactly with Graph Neural Networks

摘要

Understanding what graph neural networks can learn, especially their ability to learn to execute algorithms, remains a central theoretical challenge. In this work, we prove exact learnability results for graph algorithms under bounded-degree and finite-precision constraints. Our approach follows a two-step process. First, we train an ensemble of multi-layer perceptrons (MLPs) to execute the local instructions of a single node. Second, during inference, we use the trained MLP ensemble as the update function within a graph neural network (GNN). Leveraging Neural Tangent Kernel (NTK) theory, we show that local instructions can be learned from a small training set, enabling the complete graph algorithm to be executed during inference without error and with high probability. To illustrate the learning power of our setting, we establish a rigorous learnability result for the \textsc{LOCAL} model of distributed computation. We further demonstrate positive learnability results for widely studied algorithms such as message flooding, breadth-first and depth-first search, and Bellman-Ford.