Task-driven Heterophilic Graph Structure Learning

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose frequency-guided graph structure learning (FgGSL), an end-to-end graph inference framework that jointly learns homophilic and heterophilic graph structures along with a spectral encoder. FgGSL employs a learnable, symmetric, feature-driven masking function to infer said complementary graphs, which are processed using pre-designed low- and high-pass graph filter banks. A label-based structural loss explicitly promotes the recovery of homophilic and heterophilic edges, enabling task-driven graph structure learning. We derive stability bounds for the structural loss and establish robustness guarantees for the filter banks under graph perturbations. Experiments on six heterophilic benchmarks demonstrate that FgGSL consistently outperforms state-of-the-art GNNs and graph rewiring methods, highlighting the benefits of combining frequency information with supervised topology inference.

Covariance Scattering Transforms

Machine learning and data processing techniques relying on covariance information are widespread as they identify meaningful patterns in unsupervised and unlabeled settings. As a prominent example, Principal Component Analysis (PCA) projects data points onto the eigenvectors of their covariance matrix, capturing the directions of maximum variance. This mapping, however, falls short in two directions: it fails to capture information in low-variance directions, relevant when, e.g., the data contains high-variance noise; and it provides unstable results in low-sample regimes, especially when covariance eigenvalues are close. CoVariance Neural Networks (VNNs), i.e., graph neural networks using the covariance matrix as a graph, show improved stability to estimation errors and learn more expressive functions in the covariance spectrum than PCA, but require training and operate in a labeled setup. To get the benefits of both worlds, we propose Covariance Scattering Transforms (CSTs), deep untrained networks that sequentially apply filters localized in the covariance spectrum to the input data and produce expressive hierarchical representations via nonlinearities. We define the filters as covariance wavelets that capture specific and detailed covariance spectral patterns. We improve CSTs' computational and memory efficiency via a pruning mechanism, and we prove that their error due to finite-sample covariance estimations is less sensitive to close covariance eigenvalues compared to PCA, improving their stability. Our experiments on age prediction from cortical thickness measurements on 4 datasets collecting patients with neurodegenerative diseases show that CSTs produce stable representations in low-data settings, as VNNs but without any training, and lead to comparable or better predictions w.r.t. more complex learning models.