arXiv AI

On the Expressive Power of Sparse Geometric MPNNs

arXiv:2407. 02025v5 Announce Type: replace-cross Abstract: Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions.

arXiv Machine Learning
Jun 30

Lost in Aggregation: On a Fundamental Expressivity Limit of Message-Passing Graph Neural Networks

arXiv:2603. 14846v3 Announce Type: replace Abstract: We define an information-complexity property for aggregation functions, capturing a vast range of practical aggregations, and prove that any Message-Passing Graph Neural Network (MP-GNN) model with such aggregations induces only a polynomial number of equivalence classes on all graphs - while the number of non-isomorphic graphs is super-exponential (in number of vertices).

By Eran Rosenbluth
arXiv Machine Learning
Jun 5

HOPSE: Scalable Higher-Order Positional and Structural Encoder for Combinatorial Representations

arXiv:2505. 15405v3 Announce Type: replace Abstract: While Graph Neural Networks (GNNs) have proven highly effective at modeling relational data, pairwise connections cannot fully capture multi-way relationships naturally present in complex real-world systems.

By Guillermo Bern\'ardez, Marco Montagna, Louis Van Langendonck, Martin Carrasco, Amirreza Akbari, Louisa Cornelis, Mathilde Papillon, Pere Barlet-Ros, Nina Miolane, Lev Telyatnikov
arXiv Machine Learning
Jun 16

Graph Learning Should Move Beyond Restrictive Views of Spectral and Message-Passing GNNs

arXiv:2602. 10031v2 Announce Type: replace Abstract: Graph neural networks (GNNs) are commonly divided into message-passing neural networks (MPNNs) and spectral GNNs, reflecting two largely separate research traditions in machine learning and signal processing.

By Antonis Vasileiou, Juan Cervino, Pascal Frossard, Charilaos I. Kanatsoulis, Christopher Morris, Michael T. Schaub, Pierre Vandergheynst, Zhiyang Wang, Guy Wolf, Ron Levie
arXiv Machine Learning
Jun 2

Sheaf Neural Networks on SPD Manifolds: Second-Order Geometric Representation Learning

arXiv:2604. 20308v2 Announce Type: replace Abstract: 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.

By Yuhan Peng, Junwen Dong, Yuzhi Zeng, Hao Li, Ce Ju, Huitao Feng, Diaaeldin Taha, Anna Wienhard, Kelin Xia