arXiv Machine Learning

Graph Neural Networks for Predicting Solvability of Finite Groups

arXiv:2606. 07619v1 Announce Type: new Abstract: We present a Graph Neural Network (GNN) framework for the classification of finite groups according to their solvability.

arXiv Machine Learning
Jul 15

Learning the Graphical Nature of Symmetries

arXiv:2607. 12026v1 Announce Type: cross Abstract: Finite groups are rigid algebraic objects, whose Cayley graphs expose a rich network geometry through which group-theoretic structure can be measured, compared, and learned.

By Rashid Barket, Enrico Grimaldi, Yacoub Hendi, Edward Hirst, Adam Onus, Harmeet Singh
arXiv Machine Learning
Sep 7

The Geometry of Polynomial Group Convolutional Neural Networks

The paper introduces a new mathematical framework for polynomial group convolutional neural networks (PGCNNs) using graded group algebras. It presents two natural parametrizations of the architecture—based on Hadamard and Kronecker products—that are related by a linear map. The authors compute the dimension of the resulting neuromanifold, show it depends only on the number of layers and group size, and describe the general fiber of the Kronecker parametrization, conjecturing a similar description for the Hadamard case, supported by explicit computations for small groups and shallow networks.

By Yacoub Hendi, Daniel Persson, Magdalena Larfors
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
Jul 3

An Additive MLP-GNN Framework for Characterizing Chemical and Structural Contributions to Aqueous Solubility

arXiv:2607. 02212v1 Announce Type: cross Abstract: Aqueous solubility is a key property in early-stage drug discovery, but most predictive models merge physicochemical descriptors and molecular graph information into a single representation, obscuring whether a prediction is driven by global chemistry, molecular structure, or both.

By Sampreeti Bhattacharya, Arkaprava Roy
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