Sheaf Neural Networks

Sheaf Neural Networks generalize scalar-weighted message passing by replacing scalar edge weights with linear transport maps between local feature spaces. Yet the role of this matrix-valued transport is entangled with the broader sheaf-diffusion construction. We isolate the transport primitive through quiver representations and establish a direct connection with multi-head attention. Treating attention heads as coordinates of a local transport space reveals that standard multi-head attention implements diagonal edge maps: along each directed interaction, a source head can contribute only to the corresponding receiver head. Allowing off-diagonal entries instead enables edge-conditioned communication across heads before neighborhood aggregation. We show that this operation cannot, in general, be absorbed into a single shared linear map applied after aggregation. Building on this characterization, we introduce Topological Attention (Top-A), a multi-head attention that learns edge-dependent off-diagonal routes while preserving the original same-head paths and exactly recovering vanilla attention when the additional routing vanishes. We evaluate Top-A on relational reasoning, heterogeneous graph learning, and algorithmic reasoning, including out-of-distribution generalization, with heterophilic node classification as a contrast setting. The results show that cross-head transport is most useful when the task benefits from interaction-dependent transformations, while heterophily alone provides no systematic advantage. These findings identify edge-conditioned cross-head communication as a distinct computational primitive of matrix-valued transport.

We introduce the Clifford Sheaf Neural Network (CSNN), an equivariant sheaf neural network for geometric graphs that places a Clifford algebra on each stalk of a cellular sheaf and transports multivector features along edges. The canonical choice of restriction map for sheaves with algebra-valued stalks is algebra homomorphism. Adding the constraint of equivariance, the naive choice becomes versor conjugation. However, versor conjugation is expressively weak, so we drop algebra homomorphism and arrive at the K-term sandwich. The resulting sheaf Laplacian is positive semidefinite by construction, needs no versor constraint, and still mixes grades. Our main contribution characterizes the resulting family of restriction maps along three axes: which grades a map couples, how much of the endomorphism space it reaches, and how well it is conditioned. The K-term sandwich spans half of the endomorphism space, and in Cl(3, 0, 0) it corresponds to the maps that commute with the central pseudoscalar. The number of terms controls expressivity. CSNN is the reversion member, a first-order model by construction and the grade-mixing corner of this family, developed as a sheaf construction for graph-level equivariant regression.

Sheaf Neural Networks (SNNs) generalize message passing by replacing scalar edge weights of standard Graph Neural Networks (GNNs) with learnable, edge-dependent restriction maps between node stalks. Despite their strong theoretical foundations and promising transductive results, SNNs have been evaluated almost exclusively on transductive node classification, leaving their behaviour under inductive protocols unknown. We address this gap through the first systematic benchmark of the sheaf design space, evaluating three diffusion mechanisms (neural sheaf diffusion, sheaf attention, and sheaf attention with Graph Attention Network v2), three restriction-map parameterizations, three stalk dimensions, and six modern GNN architectural components, within a message-passing reformulation that never assembles the heavy sheaf Laplacian, making the full design space trainable under cross-graph batching. Across $1{,}890$ controlled experiments on 14 inductive datasets, multiple insights emerge: restriction maps are the dominant design choice and general maps are preferable, larger stalks add capacity but not long-range reach, architectural components explain more performance variation than the entire sheaf-specific design space itself. Under a matched protocol, SNNs transfer to inductive settings but do not reach the strongest baselines, with gaps being dataset-dependent. Practically, a single sheaf configuration can generalize across datasets, so effort is better spent tuning the surrounding architectural recipe than the sheaf operator itself.

Learned restriction maps in sheaf graph neural networks are often treated as proof that the model has discovered useful edge geometry. That conclusion does not follow from parameter movement or from a post-hoc ablation: both can show how one checkpoint is organized while leaving open whether learned transport still helps after the rest of the model adapts. We separate these claims with two estimands. Checkpoint reliance intervenes on the maps of a fixed predictor; protocol-relative replacement retrains matched families that remove map capacity, edge variation, or persistent edge assignment. A task-null theorem shows why the claims can diverge: labels identify only the transported classifier directions, leaving $d^2-d$ invisible degrees of freedom in every full $d\times d$ map. An exact frame model then gives the boundary at which reliance becomes unreplaced task value. Label-only training realizes the predicted separation, while audits of public NSD, DNSD, and Directed Sheaf Neural Network (DSNN) implementations recover both replaceable and unreplaced transport regimes on real graphs. All five DNSD benchmarks exhibit fixed-checkpoint reliance. After retraining, assignment-breaking or shared-map controls recover Full performance on four; Roman-Empire retains a $.0675$ advantage over continually resampled assignment and a $.0391$ advantage over a parameter-matched shared map across ten official splits. Thus, a learned map can govern a fitted computation without constituting indispensable edge geometry. Claims of learned transport should pair checkpoint interventions with matched retraining.

Geometric architectures are often justified by internal mechanisms such as rotations, yet task performance alone cannot show whether those mechanisms drive predictions. Using sheaf neural networks (SNNs) as a testbed, we introduce the first basis-independent measurement of trained triangle-loop products, separating rotation, stalk-space area, and orientation. In a custom high-homophily GraphUniverse regime, Neural Sheaf Propagation (NSP) increases the triangle-weighted mean two-dimensional SO(2) loop rotation from 0.010 to 0.388 radians for triangle counting, while the community-detection comparison ends at 0.029 radians. Across the training-set-size experiment, replacing all learned SO(2) transports with identities sharply increases test error, establishing post-training sensitivity to the complete learned connection. However, a graph-summary ridge predictor is more accurate, diagonal maps also improve, and fixed-degree graphs develop increasing rotation without outperforming the training-mean predictor. This measure-intervene-control study separates geometric change, connection sensitivity, and evidence for triangle-specific computation.

Symmetry is everywhere in nature and society. Geometric deep learning exploits symmetries in data to improve the performance and efficiency of deep learning systems. In this paper, we extend geometric deep learning to utilize richer symmetry structures. Specifically, we develop order-equivariant neural networks (OENN), which generalize standard graph message passing and sheaf neural networks via the theory of equivariant bundles over face posets (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 (for which no UAT was known before). 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 addition, we show that OENN can be extended further to CENN, Category-Equivariant Neural Network, which gives the general form of equivariant neural networks as well as of equivariant universal approximation theorems, allowing us to leverage categorical symmetry in data (e.g., non-invertible symmetries on multiple objects with compositional relations on those symmetries).

Detecting communities in heterophilic graphs -- where connected nodes often belong to different classes -- is hard for unsupervised methods: classical modularity and spectral methods are feature agnostic, while deep graph-clustering methods rely on contrastive or generative machinery that is opaque. We propose Curvature-Guided Sheaf Diffusion (CGSD), a fully unsupervised community-detection algorithm that uses the discrete Forman--Ricci curvature of each edge as its single topological signal, propagated through every stage of an end-to-end pipeline. CGSD makes three concrete contributions: (i)~a curvature-gated sheaf-diffusion encoder that gates edge messages by $σ(κ_e)$ and is trained from three label-free structural losses (modularity, anti-collapse, curvature-weighted reconstruction); (ii)~a curvature-aware spectral clusterer (CSpec) that re-weights the $k$-NN affinity of the embedding by $σ(ακ_{e^*})$ before Ng--Jordan--Weiss; and (iii)~a unified label-free evaluation against nine truly-unsupervised baselines. On five heterophilic benchmarks (Cora, Cornell, Texas, Wisconsin, Chameleon), CGSD wins outright on Wisconsin and Chameleon and is competitive on the remaining three against nine unsupervised baselines. The gain over the strongest baseline is driven by the clusterer, not the encoder: on the same embedding, CSpec improves mean NMI from $0.091$ with $K$-Means to $0.107$ ($+15\%$, paired $t$-test $p=0.008$). The mechanism is interpretable: intra-community and inter-community curvature distributions are visibly separated. Code is open-sourced at https://github.com/woodywff/cgsd.

Sheaf Neural Networks (SNNs) generalize Graph Neural Networks (GNNs) by replacing scalar node signals with stalk-valued signals and by using restriction maps to measure compatibility across edges. Unlike standard graph diffusion, which encourages neighboring node features to become similar, sheaf diffusion promotes consistency through the restriction maps and can therefore model more general relationships between neighboring nodes. However, existing sheaf neural architectures mainly operate at a fixed graph resolution and do not provide a principled pooling mechanism for building hierarchical representations. In this paper, we introduce Hierarchical Sheaf Pool (HiSP), a sheaf-aware pooling framework based on local spectral coarsening. Given a partition of the graph, HiSP constructs each coarse stalk by projecting fine stalk-valued features onto the low-frequency eigenmodes of the cluster-internal sheaf Laplacian. These local modes define a cochain-level prolongation map, which allows the fine sheaf energy to be represented on the coarse space through a Galerkin operator. We further analyze the approximation induced by coarsening by separating truncation loss, due to discarded local modes, from realization loss, due to representing the projected operator as a coarse sheaf. Finally, we implement HiSP as a GNN pooling layer compatible with SNNs and provide a PyG implementation supporting batching, lifted sheaf Laplacians, and hierarchical architectures.

We introduce Temporal Sheaf Neural Networks (TSNN), a temporal link prediction framework that equips each node with a time-varying orthogonal frame and compares node states only after explicit transport between local coordinate systems. In contrast to existing continuous-time graph models that operate in a shared global embedding space, TSNN models node-specific and evolving interaction semantics through dynamic local frames. The model parameterizes per-node frames via efficient low-rank Householder products, preserves stored hidden states exactly under frame updates, and uses a geometric-residual decoder that anchors predictions on transported distances while learning residual corrections. All computations are strictly causal and use only the pre-event history. We show that the symmetric degree-normalized sheaf Laplacian is orthogonally similar to the symmetric normalized graph Laplacian, with the random-walk normalized form similar in the corresponding degree metric; the full-active, feature-scaled diffusion used by TSNN is exactly a metric-gradient step on the combinatorial sheaf Dirichlet energy, with a degree-free monotone-descent and non-expansiveness guarantee. Frame drift perturbs updates only linearly. Across TGB v2 link-prediction and temporal-heterogeneous leaderboards, together with the DGB benchmark suite, TSNN matches or surpasses the strongest prior methods on most benchmarks, with the largest improvements on graphs exhibiting strong node-role heterogeneity. Ablations confirm the distinct benefit of dynamic frames, orthogonal transport, and geometric-residual decoding.

Graph Neural Networks (GNNs) have become the de facto standard for learning on relational data. While traditional GNNs' message passing is well suited for vector-valued node features, there are cases in which node features are better represented by probability distributions than real vectors. Concretely, when node features are Gaussians, characterized by a mean and a covariance matrix, naively concatenating their parameters into a single vector and applying standard message passing discards the geometric and algebraic structure that governs means and covariances. We propose Gaussian Sheaf Neural Networks (GSNNs), a principled framework that incorporates these inductive biases into graph-based learning. Building on the theory of cellular sheaves, we derive a new Laplacian operator that generalizes the sheaf Laplacian to this setting and preserves its key properties. We complement our theoretical contributions with experiments on synthetic and real-world data that illustrate the practical relevance of GSNNs.

Deep Graph Neural Networks (GNNs) are essential for capturing complex dependencies in graph-structured data. However, scaling GNNs to depth remains challenging, as stacking layers leads to representation collapse and diminishing sensitivity due to repeated aggregation. While Neural Sheaf Diffusion (NSD) provides strong theoretical guarantees against such collapse, these guarantees do not translate to practice: as depth increases, the disagreement signal of the sheaf Laplacian vanishes, limiting the contribution of deeper layers. We identify mechanisms that hinder NSD effectiveness at depth and propose \emph{Deep Neural Sheaf Diffusion} (DNSD), which replaces the sheaf Laplacian with a sheaf adjacency operator to maintain informative signals across layers. This is complemented by normalization, odd nonlinearities, and gating. To provide a principled explanation of the expected performance improvement, we contrast sheaf diffusion to graph attention mechanisms, highlighting that DNSD replaces scalar attention scores with matrix-valued edge functions and normalizes node representations rather than attention scores. We demonstrate empirically that DNSD effectively utilizes deep aggregation in graph tasks, outperforming GNN and NSD baselines with up to 30pp accuracy on synthetic long-range datasets, and consistently outperforming them on real-world benchmarks. These results position sheaf-based architectures as a promising building block for graph foundation models by supporting effective deep architectures.

Most dimensionality reduction methods treat data as discrete point clouds, ignoring the continuous domain structure inherent to many real-world processes. To bridge this gap, we introduce Neural Operator Function Embedding (NOFE), a domain-aware framework for continuous dimensionality reduction. NOFE learns function-to-function mappings via a Graph Kernel Operator, enabling mesh-free evaluation at arbitrary query locations independent of input discretization. We establish NOFE as approximation of sheaf-to-sheaf mappings, generalizing Sheaf Neural Networks to continuous domains. We evaluate NOFE across different datasets, comparing it against PCA, t-SNE, and UMAP. Our results demonstrate that NOFE significantly outperforms baselines in local structure preservation, achieving a local Stress of 0.111 compared to 0.398 for PCA, 0.773 for t-SNE, and 0.791 for UMAP for the ERA5 climate reanalysis dataset. NOFE also exhibits robust sampling independence, reducing the Patch Stitching Error by up to $20.0\times$ relative to UMAP (59.0 vs. 267.6 under regional normalization) and ensuring consistency across disjoint domain patches. While maintaining competitive global structure preservation (Stress-1: 0.379 vs. PCA's 0.268), NOFE resolves fine-grained structures and produces smooth, consistent embeddings that generalize across varying sample densities, addressing key limitations of discrete reduction methods.

Local interaction laws governing multi-agent systems can be difficult to recover from trajectory data, even when the dynamics are observed faithfully. In systems governed by a nonlinear sheaf Laplacian -- a generalization of the graph Laplacian accommodating heterogeneous state spaces and asymmetric communication channels -- the coordination law is encoded by edge potential functions whose gradients produce the inter-agent forces. Because trajectory observations record node-state evolution, they expose only the aggregate effect of the edge forces at each node: distinct interaction laws that agree at the node level are indistinguishable from trajectory data alone. We show that the fundamental obstruction to recovery is topological, measured by sheaf cohomology, and that unique recovery from an unconstrained function class is possible if and only if this cohomology vanishes. When the obstruction is nontrivial, we show that recovery within a finite-dimensional parameterized class is possible precisely when a data-dependent information matrix is positive definite. Experiments validate the theory and illustrate that accurate trajectory reproduction need not certify recovery of the underlying interaction law.

Neural Sheaf Diffusion (NSD) generalizes diffusion-based Graph Neural Networks by replacing scalar graph Laplacians with sheaf Laplacians whose learned restriction maps define a task-adapted geometry. While the diffusion limit of NSD is known to be the space of global sections, the representation-theoretic structure of this harmonic space remains largely implicit. We develop a quiver-theoretic interpretation of NSD by identifying cellular sheaves on graphs with representations of the associated incidence quiver. Under this correspondence, learned sheaf geometries become points in a finite-dimensional representation space. We show that direct-sum decompositions of the underlying incidence-quiver representation induce decompositions of the harmonic space reached in the diffusion limit. This gives an algebraic interpretation of oversmoothing as representation degeneration: learned sheaves may collapse toward low-complexity summands whose global sections fail to preserve discriminative information. Building on this viewpoint, we connect sheaf diffusion to stability and moment-map principles from Geometric Invariant Theory. We introduce moment-map-inspired regularizers that bias restriction maps toward balanced representation geometries, and identify a structural obstruction in equal-stalk architectures: when $d_v = d_e$, admissibility for learnable stability parameters forces the trivial all-object summand onto a stability wall. Non-uniform stalk dimensions remove this obstruction, making adaptive stability meaningful. Experiments on heterophilic benchmarks are consistent with this mechanism: breaking stalk symmetry can reduce variance or improve validation behavior, and adaptive stability becomes more effective in selected rectangular settings. Overall, our framework reframes oversmoothing as a degeneration phenomenon in the representation geometry underlying learned sheaf diffusion.

Neural operators have emerged as powerful data-driven surrogates for learning solution operators of parametric partial differential equations (PDEs). However, widely used Fourier Neural Operators (FNOs) rely on global Fourier representations, which can be inefficient for resolving anisotropic structures, sharp gradients, and spatially localized discontinuities that arise in shock-dominated and multiscale regimes. To address these limitations, we introduce the Shearlet Neural Operator (SNO), a neural operator architecture that replaces the Fourier transform with a shearlet-based representation. Shearlets offer directional, multiscale, and spatially localized atoms with near-optimal sparse approximation of anisotropic features, providing an inductive bias aligned with PDE solutions containing edges, fronts, and shocks. SNO learns in the shearlet domain and reconstructs predictions via the inverse transform, retaining efficient spectral computation while improving locality and directional selectivity. Across seven benchmark PDE families, including strongly anisotropic advection, anisotropic diffusion, and nonlinear conservation laws with straight, curved, interacting, spiral, and polygonal shock structures, SNO consistently improves predictive accuracy and feature fidelity over FNO baselines, with the largest gains observed in anisotropic and discontinuity-dominated settings.

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.