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Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

Machine Learning · Computer Science 2022-04-19 Stefanie Jegelka

Graph neural networks have shown superior performance in a wide range of applications providing a powerful representation of graph-structured data. Recent works show that the representation can be further improved by auxiliary tasks.…

Machine Learning · Computer Science 2021-02-09 Dasol Hwang , Jinyoung Park , Sunyoung Kwon , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

By a map we mean a $2$-cell decomposition of a closed compact surface, i.e., an embedding of a graph such that every face is homeomorphic to an open disc. Automorphism of a map can be thought of as a permutation of the vertices which…

Combinatorics · Mathematics 2021-01-08 Ken-ichi Kawarabayashi , Bojan Mohar , Roman Nedela , Peter Zeman

Symmetries and equivariance are fundamental to the generalization of neural networks on domains such as images, graphs, and point clouds. Existing work has primarily focused on a small number of groups, such as the translation, rotation,…

Machine Learning · Computer Science 2021-04-20 Marc Finzi , Max Welling , Andrew Gordon Wilson

A nut graph is a simple graph of order 2 or more for which the adjacency matrix has a single zero eigenvalue such that all non-zero kernel eigenvectors have no zero entry (i.e. are full). It is shown by construction that every finite group…

Combinatorics · Mathematics 2024-05-08 Nino Bašić , Patrick W. Fowler

A regular bipartite graph $\Gamma$ is called semisymmetric if its full automorphism group $\mathrm{Aut}(\Gamma)$ acts transitively on the edge set but not on the vertex set. For a subgroup $G$ of $\mathrm{Aut}(\Gamma)$ that stabilizes the…

Group Theory · Mathematics 2024-12-05 Yunsong Gan , Weijun Liu , Binzhou Xia

Polynomial graph filters have been widely used as guiding principles in the design of Graph Neural Networks (GNNs). Recently, the adaptive learning of the polynomial graph filters has demonstrated promising performance for modeling graph…

Machine Learning · Computer Science 2023-07-18 Wendi Yu , Zhichao Hou , Xiaorui Liu

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

We propose an end-to-end deep learning learning model for graph classification and representation learning that is invariant to permutation of the nodes of the input graphs. We address the challenge of learning a fixed size graph…

Machine Learning · Computer Science 2019-05-09 Peter Meltzer , Marcelo Daniel Gutierrez Mallea , Peter J. Bentley

Geometric quantum machine learning uses the symmetries inherent in data to design tailored machine learning tasks with reduced search space dimension. The field has been well-studied recently in an effort to avoid barren plateau issues…

Quantum Physics · Physics 2025-07-14 Zachary P. Bradshaw , Ethan N. Evans , Matthew Cook , Margarite L. LaBorde

We describe generalizations of the universal approximation theorem for neural networks to maps invariant or equivariant with respect to linear representations of groups. Our goal is to establish network-like computational models that are…

Neural and Evolutionary Computing · Computer Science 2018-04-30 Dmitry Yarotsky

Graph neural networks are prominent models for representation learning over graphs, where the idea is to iteratively compute representations of nodes of an input graph through a series of transformations in such a way that the learned graph…

Machine Learning · Computer Science 2023-10-26 Radoslav Dimitrov , Zeyang Zhao , Ralph Abboud , İsmail İlkan Ceylan

We develop a theory of category-equivariant neural networks (CENNs) that unifies group/groupoid-equivariant networks, poset/lattice-equivariant networks, graph and sheaf neural networks. Equivariance is formulated as naturality in a…

Machine Learning · Computer Science 2025-12-24 Yoshihiro Maruyama

We provide a full characterisation of all of the possible group equivariant neural networks whose layers are some tensor power of $\mathbb{R}^{n}$ for three symmetry groups that are missing from the machine learning literature: $O(n)$, the…

Machine Learning · Computer Science 2023-06-21 Edward Pearce-Crump

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

We introduce a novel architecture for graph networks which is equivariant to any transformation in the coordinate embeddings that preserves the distance between neighbouring nodes. In particular, it is equivariant to the Euclidean and…

Machine Learning · Computer Science 2021-07-13 Francesco Farina , Emma Slade

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

We investigate connections between the symmetries (automorphisms) of a graph and its spectral properties. Whenever a graph has a symmetry, i.e. a nontrivial automorphism $\phi$, it is possible to use $\phi$ to decompose any matrix…

Combinatorics · Mathematics 2016-10-07 Wayne Barrett , Amanda Francis , Ben Webb

Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

Machine Learning · Computer Science 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Comparability graphs are graphs which have transitive orientations. The dimension of a poset is the least number of linear orders whose intersection gives this poset. The dimension ${\rm dim}(X)$ of a comparability graph $X$ is the…

Discrete Mathematics · Computer Science 2015-06-17 Pavel Klavík , Peter Zeman
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