Equivariant Sheaf Neural Networks: Learning Geometric Transport on Graphs

Equivariant graph neural networks provide a principled way to model geometric systems, but efficient first-order architectures remain limited in how vector information can be transformed as it moves across a graph. We introduce \textsc{ESNN}, an Equivariant Sheaf Neural Network that enriches this interaction by learning directed, matrix-valued transport between neighboring vector features while preserving exact Euclidean equivariance. Rather than increasing the order of the representation, ESNN keeps scalar and vector features first-order and places the additional geometric flexibility in the edge transport itself. We characterize this transport theoretically, showing that when relative displacement is the only covariant geometric input, every linear $O(n)$-equivariant map decomposes into independent radial and tangential components, while learned covariant features enable richer feature-conditioned transformations. We also introduce controlled symmetry relaxation for systems with a preferred ambient direction, which may be prescribed or inferred from data while recovering full $E(n)$-equivariance when the directional pathway is inactive. Across particle dynamics, mesh-based simulation, point-cloud classification, and molecular property prediction, ESNN improves dynamics prediction, recovers the gravity axis when symmetry is broken, yields substantial gains on selected mesh tasks and long-horizon rollouts, and remains robust to unseen rotations. These results show that learning how geometric information is transported across edges offers a complementary route to expressive equivariant message passing without requiring higher-order representations.

Gromov-Monge Flow Matching for Equivariant Graph Generation

Graphs are invariant under node permutations, motivating the use of permutation-equivariant architectures in generative models. In flow matching, however, symmetry may also enter the source--target coupling: once graph pairs are compared up to node relabeling, the natural Wasserstein geometry is that of the graph quotient space. The Euclidean quotient metric of this space coincides with the Gromov--Monge distance, obtained by optimally relabeling the nodes. We develop this perspective theoretically, showing that quotient couplings can be lifted to aligned representatives without additional cost and that symmetrization yields equivariant flow-matching minimizers, including for categorical endpoint prediction. In practice, exact Gromov--Monge alignment is intractable, so we construct minibatch couplings using efficient Gromov--Wasserstein-type relaxations and lower bounds for the inner node alignment, optionally combined with an outer assignment between graphs. The resulting procedure changes only the training coupling and is compatible with standard permutation-equivariant architectures. Across continuous graph and categorical molecular generation, these structure-aware couplings substantially improve sample quality at small integration budgets, while our scaled-up molecular models remain competitive under conventional many-step sampling.

Foundations of Equivariant Deep Learning: Unifying Graph and Sheaf Neural Networks

Symmetry is everywhere in nature and society. Geometric deep learning builds architectures respecting group symmetries, whereas topological deep learning organizes computation through cells, incidence relations, and local-to-global structure. In this paper, we extend geometric deep learning beyond simple group actions and unify it with topological deep learning. Specifically, we develop order-equivariant neural networks (OENN), which generalize standard graph message passing and sheaf neural networks via the theory of equivariant vector bundles over face posets (or face categories). We (i) characterize all linear order-equivariant maps, (ii) build OENN layers, and (iii) prove universal approximation theorems (UATs) for continuous order-equivariant maps, which are new results even when restricted to sheaf neural networks. We illustrate the framework on graph and sheaf models. Our results can also be seen as extending the known UAT for graph neural networks to a more general setting that subsumes sheaf neural networks as well. In the appendix, we show that OENN can be connected, via the action groupoid Grothendieck construction, to CENN (category-equivariant neural network), which gives the categorical general form of equivariant neural networks, allowing us to leverage categorical symmetry in data and extending geometric deep learning from groups of symmetries to categories of transformations.

Equivariant Neural Belief Propagation

Probabilistic inference over spatially embedded variables requires beliefs that respect $SE(3)$ symmetry, yet existing equivariant networks produce only scalars and vectors -- not the rank-2 precision tensors needed for anisotropic uncertainty, and single-component messages collapse multi-modal energy landscapes to physically meaningless averages. We introduce Equivariant Neural Belief Propagation (ENBP), a factor-graph framework whose messages are equivariant Gaussian mixture models with sufficient statistics that transform exactly under $SE(3)$. Rank-2 precision matrices are synthesised via equivariant outer products, ingested through differentiable spectral decomposition, and kept tractable by a greedy KL-based mixture reduction that provably commutes with $SE(3)$. On GEOM-QM9 and GEOM-Drugs, ENBP achieves 98.9% conformational coverage at 0.090 $\mathring{A}$ error with sub-second latency -- over $100\times$ faster than diffusion baselines at higher accuracy. On multi-body robotic inference, vanilla loopy BP diverges at 15+ agents while ENBP converges with near-zero collision rates and machine-precision equivariance error (${\sim}10^{-7}$ vs.\ $10^{-1}$ for augmented baselines).

Theoretical Aspects of Lie Groupoid and Lie Algebroid Equivariant Convolutional Neural Networks

We introduce Lie groupoid equivariant neural networks as a specialization of recently proposed topological category-equivariant neural networks to the differentiable setting. Lie groupoid equivariant neural networks are composed from Lie groupoid lifting convolutions and Lie groupoid convolution layers, and we show how for suitable Lie groupoids they are equivalent to certain Lie algebroid-equivariant neural networks. We additionally describe groupoid invariant global pooling as a generalization of group invariant global pooling. Furthermore, we show that each of the aforementioned layers is a special case of recently introduced admissible category-equivariant layers by demonstrating that they define continuous natural transformations between continuous feature functors.