arXiv Machine Learning

Deep Neural Sheaf Diffusion

Deep Neural Sheaf Diffusion (DNSD) is a new graph neural network architecture that replaces the sheaf Laplacian with a sheaf adjacency operator to keep informative signals across many layers. It also uses normalization, odd nonlinearities, and gating, and replaces scalar attention with matrix-valued edge functions. Experiments show DNSD outperforms existing GNNs and Neural Sheaf Diffusion on both synthetic long‑range and real‑world graph benchmarks, achieving up to 30 percentage‑point gains in accuracy.

arXiv AI
Oct 27

Graph-dependent pooling: adaptive granularity in hierarchical graph neural networks

Graph-Dependent Pooling (GDPool) introduces a dynamic approach to hierarchical graph pooling, allowing each graph to determine its own pooling granularity rather than relying on fixed cluster numbers or ratios. The method employs self-attention to select graph-specific anchors and uses soft node assignment to build coarser graphs, addressing optimization conflicts identified through gradient alignment analysis. Experiments on metal‑organic framework and molecular graph datasets demonstrate that GDPool outperforms existing methods in predictive accuracy, modularity, and exhibits stable behavior across various hyperparameters.

By Bohan Yoon, Hyejin Jang
Hugging Face Trending Papers
Aug 3

CoRe-GNN: Multilevel Message passing on Coarsened graphs

Training Graph Neural Networks on large graphs is challenged by the memory cost of storing all node representations across layers. We show that several existing scalable approaches can be written as structured modifications of the GNN propagation matrix, providing a unified perspective that exposes their respective limitations.

arXiv Machine Learning
Sep 29

Fixed Points Without Fixed Diffusion: Implicit Neural Sheaves for Convergent Test-Time Computation

The paper introduces SheafDEQ, a subhomogeneous deep-equilibrium architecture that uses adaptive neural-sheaf propagation to allow richer, edge-dependent transformations in implicit graph neural networks while guaranteeing a unique equilibrium. The authors prove that SheafDEQ’s equilibrium is globally reachable from any positive initialization and remains contractive even with bounded communication staleness. Experiments demonstrate that SheafDEQ outperforms fixed-propagation implicit baselines on tasks such as Sums, MNIST Terrain, Coordinates, and community detection, especially as graph connectivity becomes increasingly heterophilic.

By R\'emi Bourgerie, \v{S}ar\={u}nas Girdzijauskas, Viktoria Fodor
arXiv Machine Learning
Oct 3

Let the Heads Talk: Beyond Diagonal Graph Attention

The paper introduces Topological Attention (Top‑A), a multi‑head attention mechanism that extends standard diagonal edge maps by allowing off‑diagonal, edge‑conditioned communication across attention heads. By isolating the transport primitive through quiver representations, the authors show that standard multi‑head attention only implements diagonal edge maps, whereas Top‑A learns additional cross‑head routes while preserving the original same‑head paths. Experiments on relational reasoning, heterogeneous graph learning, and algorithmic reasoning demonstrate that cross‑head transport is most beneficial when tasks require interaction‑dependent transformations, whereas heterophily alone does not provide a systematic advantage.

By Riccardo Ali, Alessio Borgi, Mario Severino, Alessio Gravina, Davide Bacciu, Pietro Li\`o, Christopher Irwin
arXiv Machine Learning
Aug 19

HyPE-GT: where Graph Transformers meet Hyperbolic Positional Encodings

HyPE-GT introduces a framework that generates learnable hyperbolic positional encodings for Graph Transformers, enabling the capture of complex hierarchical relationships in graph-structured data. Unlike traditional Euclidean encodings, HyPE’s hyperbolic encodings can be selected to suit specific downstream tasks and help mitigate oversmoothing in deep Graph Neural Networks. Experiments on molecular benchmarks and large-scale Open Graph Benchmark datasets demonstrate improved performance, while additional tests on Coauthor and Copurchase networks confirm HyPE’s effectiveness in controlling oversmoothing.

By Kushal Bose, Swagatam Das