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In this paper we propose a family of tractable kernels that is dense in the family of bounded positive semi-definite functions (i.e. can approximate any bounded kernel with arbitrary precision). We start by discussing the case of stationary…

Machine Learning · Statistics 2015-10-13 Yves-Laurent Kom Samo , Stephen Roberts

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Let $M$ be a complex manifold with boundary $X$, which admits a holomorphic Lie group $G$-action preserving $X$. We establish a full asymptotic expansion for the $G$-invariant Bergman kernel under certain assumptions. As an application, we…

Complex Variables · Mathematics 2024-04-25 Chin-Yu Hsiao , Rung-Tzung Huang , Xiaoshan Li , Guokuan Shao

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…

Machine Learning · Computer Science 2019-03-05 Mattia G. Bergomi , Patrizio Frosini , Daniela Giorgi , Nicola Quercioli

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

We consider positive semidefinite kernels valued in the $*$-algebra of continuous and continuously adjointable operators on a VH-space (Vector Hilbert space in the sense of Loynes) and that are invariant under actions of $*$-semigroups. For…

Operator Algebras · Mathematics 2025-11-04 Serdar Ay , Aurelian Gheondea

We prove general kernel theorems for operators acting between coorbit spaces. These are Banach spaces associated to an integrable representation of a locally compact group and contain most of the usual function spaces (Besov spaces,…

Functional Analysis · Mathematics 2020-10-21 Peter Balazs , Karlheinz Gröchenig , Michael Speckbacher

PDE-based Group Convolutional Neural Networks (PDE-G-CNNs) use solvers of evolution PDEs as substitutes for the conventional components in G-CNNs. PDE-G-CNNs can offer several benefits simultaneously: fewer parameters, inherent…

Machine Learning · Computer Science 2024-11-21 Gijs Bellaard , Sei Sakata , Bart M. N. Smets , Remco Duits

The Gaussian kernel and its derivatives have already been employed for Convolutional Neural Networks in several previous works. Most of these papers proposed to compute filters by linearly combining one or several bases of fixed or slightly…

Neural and Evolutionary Computing · Computer Science 2022-07-19 Valentin Penaud--Polge , Santiago Velasco-Forero , Jesus Angulo

Convolutional Neural Networks (CNNs) excel at extracting local features hierarchically, but their performance in capturing complex correlations hinges heavily on deep architectures, which are usually computationally demanding and difficult…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Chia-Wei Hsing , Wei-Lin Tu

Discovering new phenomena at the Large Hadron Collider (LHC) involves the identification of rare signals over conventional backgrounds. Thus binary classification tasks are ubiquitous in analyses of the vast amounts of LHC data. We develop…

Equivariant neural networks (ENNs) are graph neural networks embedded in $\mathbb{R}^3$ and are well suited for predicting molecular properties. The ENN library e3nn has customizable convolutions, which can be designed to depend only on…

Machine Learning · Computer Science 2020-11-25 Benjamin Kurt Miller , Mario Geiger , Tess E. Smidt , Frank Noé

Motivated by practical applications, I present a novel and comprehensive framework for operator-valued positive definite kernels. This framework is applied to both operator theory and stochastic processes. The first application focuses on…

Statistics Theory · Mathematics 2025-11-04 Saeed Hashemi Sababe

Spatial clustering is a crucial field, finding universal use across criminology, pathology, and urban planning. However, most spatial clustering algorithms cannot pull information from nearby nodes and suffer performance drops when dealing…

Machine Learning · Computer Science 2025-03-12 Aidan Gao , Junhong Lin

Recently, non-stationary spectral kernels have drawn much attention, owing to its powerful feature representation ability in revealing long-range correlations and input-dependent characteristics. However, non-stationary spectral kernels are…

Machine Learning · Computer Science 2020-03-02 Jian Li , Yong Liu , Weiping Wang

Inspired by topological Wiener-Wintner theorems we study the mean ergodicity of amenable semigroups of Markov operators on $C(K)$ and show the connection to the convergence of strong and weak ergodic nets. The results are then used to…

Dynamical Systems · Mathematics 2013-01-30 Marco Schreiber

Quantum neural networks (QNNs) represent a pioneering intersection of quantum computing and deep learning. In this study, we unveil a fundamental convolution property inherent to QNNs, stemming from the natural parallelism of quantum gate…

Quantum Physics · Physics 2025-04-14 Guangkai Qu , Zhimin Wang , Guoqiang Zhong , Yongjian Gu

We consider a family of norms (called operator E-norms) on the algebra $B(H)$ of all bounded operators on a separable Hilbert space $H$ induced by a positive densely defined operator $G$ on $H$. Each norm of this family produces the same…

Functional Analysis · Mathematics 2021-09-28 M. E. Shirokov

The seminal theorem of I.J. Schoenberg characterizes positive definite (p.d.) kernels on the unit sphere $S^{n-1}$ invariant under the automorphisms of the sphere. We obtain two generalizations of this theorem for p.d. kernels on fiber…

Classical Analysis and ODEs · Mathematics 2019-04-05 Olga Kuryatnikova , Juan C. Vera

Clifford Group Equivariant Neural Networks (CGENNs) leverage Clifford algebras and multivectors as an alternative approach to incorporating group equivariance to ensure symmetry constraints in neural representations. In principle, this…

Machine Learning · Computer Science 2025-06-11 Riccardo Ali , Paulina Kulytė , Haitz Sáez de Ocáriz Borde , Pietro Liò