Related papers: Mathematical Foundation of Interpretable Equivaria…

The theory of Group Equivariant Non-Expansive Operators (GENEOs) was initially developed in Topological Data Analysis for the geometric approximation of data observers, including their invariances and symmetries. This paper departs from…

Group Equivariant Non-Expansive Operators (GENEOs) have emerged as mathematical tools for constructing networks for Machine Learning and Artificial Intelligence. Recent findings suggest that such models can be inserted within the domain of…

Geometric and Topological Deep Learning are rapidly growing research areas that enhance machine learning through the use of geometric and topological structures. Within this framework, Group Equivariant Non-Expansive Operators (GENEOs) have…

In this paper we establish a bridge between Topological Data Analysis and Geometric Deep Learning, adapting the topological theory of group equivariant non-expansive operators (GENEOs) to act on the space of all graphs weighted on vertices…

The aim of this paper is to provide a general mathematical framework for group equivariance in the machine learning context. The framework builds on a synergy between persistent homology and the theory of group actions. We define…

In this article, we propose a topological model to encode partial equivariance in neural networks. To this end, we introduce a class of operators, called P-GENEOs, that change data expressed by measurements, respecting the action of certain…

Group equivariant operators are playing a more and more relevant role in machine learning and topological data analysis. In this paper we present some new results concerning the construction of $G$-equivariant non-expansive operators…

We survey the mathematical foundations of geometric deep learning, focusing on group equivariant and gauge equivariant neural networks. We develop gauge equivariant convolutional neural networks on arbitrary manifolds $\mathcal{M}$ using…

Recent work in equivariant deep learning bears strong similarities to physics. Fields over a base space are fundamental entities in both subjects, as are equivariant maps between these fields. In deep learning, however, these maps are…

Group equivariant neural networks have been explored in the past few years and are interesting from theoretical and practical standpoints. They leverage concepts from group representation theory, non-commutative harmonic analysis and…

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

Neural operators (NOs) are a class of deep learning models designed to simultaneously solve infinitely many related problems by casting them into an infinite-dimensional space, whereon these NOs operate. A significant gap remains between…

Learning solution operators of partial differential equations (PDEs) from data has emerged as a promising route to fast surrogate models in multi-query scientific workflows. However, for geometric PDEs whose inputs and outputs transform…

Interpretable graph neural networks (XGNNs ) are widely adopted in various scientific applications involving graph-structured data. Existing XGNNs predominantly adopt the attention-based mechanism to learn edge or node importance for…

Nowadays there is a big spotlight cast on the development of techniques of explainable machine learning. Here we introduce a new computational paradigm based on Group Equivariant Non-Expansive Operators, that can be regarded as the product…

Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

The translation equivariance of convolutions can make convolutional neural networks translation equivariant or invariant. Equivariance to other transformations (e.g. rotations, affine transformations, scalings) may also be desirable as soon…