Riemannian Networks over Full-Rank Correlation Matrices

Correlation matrices are fundamental summaries of functional brain networks, yet standard analyses often treat entries independently, ignoring the curved geometry of correlation space. Existing geometric methods frequently lack closed-form operations or depend on arbitrary region ordering, limiting scalability. We introduce a scalable geometric framework with two components: (i) the Off-log metric, a smooth transformation mapping correlation matrices to symmetric zero-diagonal matrices. This enables closed-form expressions for distances, Frechet means, and linear models, allowing standard statistical modeling without complex manifold optimization. (ii) Grassmannian subspace discrimination, which compares subjects via principal-angle distances between eigenvector subspaces, resolving inherent sign and basis ambiguities. Both components integrate into standard machine-learning workflows for inference, regression, and classification. Validated across two clinical cohorts (Parkinson's and psychosis) and three ageing fMRI datasets, the Off-log metric increased sensitivity in permutation tests and matched or exceeded Riemannian and Euclidean baselines in classification. Brain-age prediction performance was comparable, with Riemannian metrics excelling in two of three cohorts. The Grassmannian method consistently outperformed Euclidean baselines, highlighting disease-relevant networks. Overall, geometry-aware representations improve sensitivity and predictive performance while remaining straightforward to deploy at scale.

Deep neural networks on manifold-valued representations have attracted growing interest, but many basic components remain tied to specific manifolds, rely on Euclidean approximations, or require costly and numerically fragile geometric operations. This thesis develops a unified framework for Riemannian deep learning from three complementary perspectives: reusable neural modules, manifold-specific network architectures, and the design of underlying geometries. It generalizes batch normalization from Euclidean spaces and individual manifolds to broad classes of Lie groups and gyrogroups, and extends multinomial logistic regression from Euclidean space to SPD manifolds and then to general Riemannian manifolds. It further develops neural networks for several important geometric representations, including an unconstrained model of hyperbolic space, Busemann-based hyperbolic learning, and full-rank correlation matrices. Finally, it introduces adaptive and computationally efficient Riemannian metrics on SPD manifolds, including learnable Log-Euclidean geometries and fast, stable Cholesky-based geometries. The proposed methods are supported by theoretical analysis and validated through numerical experiments and applications in vision, signal processing, graph learning, and genomics.

Graph neural networks face two fundamental challenges rooted in the linear structure of Euclidean vector spaces: (1) Current architectures represent geometry through vectors (directions, gradients), yet many tasks require matrix-valued representations that capture relationships between directions-such as how atomic orientations covary in a molecule. These second-order representations are naturally captured by points on the symmetric positive definite matrices (SPD) manifold; (2) Standard message passing applies shared transformations across edges. Sheaf neural networks address this via edge-specific transformations, but existing formulations remain confined to vector spaces and therefore cannot propagate matrix-valued features. We address both challenges by developing the first sheaf neural network operates natively on the SPD manifold. Our key insight is that the SPD manifold admits a Lie group structure, enabling well-posed analogs of sheaf operators without projecting to Euclidean space. Theoretically, we prove that SPD-valued sheaves are strictly more expressive than Euclidean sheaves: they admit consistent configurations (global sections) that vector-valued sheaves cannot represent, directly translating to richer learned representations. Empirically, our sheaf convolution transforms effectively rank-1 directional inputs into full-rank matrices encoding local geometric structure. Our dual-stream architecture achieves SOTA on 6/7 MoleculeNet benchmarks, with the sheaf framework providing consistent depth robustness.