Graph Neural Networks (GNNs) are widely used on graph-structured data, but most suffer from two key weaknesses. First, message passing behaves as a low-pass filter under the homophily assumption, leading to poor performance on heterophilic graphs. Second, stacking layers drives node features toward constants, causing over-smoothing. Existing methods usually address these issues separately, while the few joint solutions rely largely on empirical heuristics, and many over-smoothing remedies sacrifice model expressiveness. We propose \textbf{CTQW-GNN}, a GNN based on Continuous-Time Quantum Walks (CTQW), to address both issues with theoretical justification. Its design exploits two properties of the CTQW propagator $e^{-\mathrm{i}Ht}$. First, it is unitary and has eigenvalues on the unit circle, so no frequency component is damped, counteracting the low-pass bias. Second, unitarity preserves feature norms and prevents the Dirichlet energy from decaying exponentially with depth, thereby mitigating over-smoothing. CTQW-GNN combines three complementary aggregation modules. \textit{CTQW-based Aggregation} evolves node features through the unitary propagator, preserving mid- and high-frequency signals for heterophilic graphs while preventing Dirichlet-energy collapse. \textit{CTQW-Attention Aggregation} constructs a multi-hop neighbor graph from CTQW amplitudes and applies attention over it, enabling access to distant homophilic nodes missed by single-hop aggregation. \textit{LF Aggregation} uses a standard low-pass GAT branch to retain strong performance on homophilic graphs, where pure CTQW aggregation can be suboptimal. We further provide a spectral-gap analysis explaining energy preservation and a Lieb--Robinson-type bound that gives a principled rule for selecting the walk time $t$.
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.
Spectral graph neural networks (GNNs) interpret message passing as frequency-selective filtering. While low-order spectral filters are efficient, their limited selectivity often leads to weak attenuation outside the passband, whereas high-order alternatives introduce optimization challenges. We propose DCQ-GNN, a spectral GNN based on a compact bank of adaptive convex--concave quadratic filters. By restricting the filter order to two while explicitly exploiting complementary curvature, DCQ-GNN improves spectral selectivity as quantified by Dirichlet energy and entropy measures without resorting to high-order polynomial expansions. The model fuses filter outputs through a node-adaptive gating mechanism to enable node-wise structure-aware spectral selection. We provide a formal spectral analysis grounded in Dirichlet energy attenuation, von Neumann entropy, and curvature polarity, and derive explicit characterizations of filter behavior across varying levels of homophily and structural perturbations. Extensive benchmarks on 10 datasets show that DCQ-GNN ties for the top average rank (3.0) on heterophilic graphs and obtains the second-best rank (4.2) on homophilic graphs, remaining competitive with representative high-order polynomial spectral filters. Furthermore, under strong structural perturbations, DCQ-GNN exhibits substantially smaller performance degradation compared to both first-order and high-order baselines. These results demonstrate that curvature-aware quadratic banks provide a robust and efficient alternative to high-order spectral models while preserving optimization stability and computational efficiency.