Statistical Guarantees for Link Prediction using Graph Neural Networks

This paper derives statistical guarantees for the performance of Graph Neural Networks (GNNs) in link prediction tasks on graphs generated by a graphon. We propose a linear GNN architecture (LG-GNN) that produces consistent estimators for the underlying edge probabilities. We establish a bound on the mean squared error and give guarantees on the ability of LG-GNN to detect high-probability edges. Our guarantees hold for both sparse and dense graphs. Finally, we demonstrate some of the shortcomings of the classical GCN architecture, as well as verify our results on real and synthetic datasets.

A Local Graph Limits Perspective on Sampling-Based GNNs

We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based GNNs, such as GraphSAGE and FastGCN. Leveraging the theory of graph local limits, we prove that, under mild assumptions, parameters learned from training sampling-based GNNs on small samples of a large input graph are within an $\epsilon$-neighborhood of the outcome of training the same architecture on the whole graph. We derive bounds on the number of samples, the size of the graph, and the training steps required as a function of $\epsilon$. Our results give a novel theoretical understanding for using sampling in training GNNs. They also suggest that by training GNNs on small samples of the input graph, practitioners can identify and select the best models, hyperparameters, and sampling algorithms more efficiently. We empirically illustrate our results on a node classification task on large citation graphs, observing that sampling-based GNNs trained on local subgraphs 12$\times$ smaller than the original graph achieve comparable performance to those trained on the input graph.

Locality-Aware Graph-Rewiring in GNNs

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Smoothed Analysis of Discrete Tensor Decomposition and Assemblies of Neurons

We analyze linear independence of rank one tensors produced by tensor powers of randomly perturbed vectors. This enables efficient decomposition of sums of high-order tensors. Our analysis builds upon [BCMV14] but allows for a wider range of perturbation models, including discrete ones. We give an application to recovering assemblies of neurons. Assemblies are large sets of neurons representing specific memories or concepts. The size of the intersection of two assemblies has been shown in experiments to represent the extent to which these memories co-occur or these concepts are related; the phenomenon is called association of assemblies. This suggests that an animal's memory is a complex web of associations, and poses the problem of recovering this representation from cognitive data. Motivated by this problem, we study the following more general question: Can we reconstruct the Venn diagram of a family of sets, given the sizes of their $\ell$-wise intersections? We show that as long as the family of sets is randomly perturbed, it is enough for the number of measurements to be polynomially larger than the number of nonempty regions of the Venn diagram to fully reconstruct the diagram.