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When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often…

Machine Learning · Computer Science 2023-10-24 Fabien Casenave , Brian Staber , Xavier Roynard

One of the main challenges in using deep learning-based methods for simulating physical systems and solving partial differential equations (PDEs) is formulating physics-based data in the desired structure for neural networks. Graph neural…

Research on graph representation learning has received great attention in recent years. However, most of the studies so far have focused on the embedding of single-layer graphs. The few studies dealing with the problem of representation…

Machine Learning · Computer Science 2022-06-28 Luca Gallo , Vito Latora , Alfredo Pulvirenti

Due to the increasing heterogeneity and deployment density of emerging cellular networks, new flexible and scalable approaches for their modeling, simulation, analysis and optimization are needed. Recently, a new approach has been proposed:…

Information Theory · Computer Science 2015-06-15 Wei Lu , Marco Di Renzo

Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that…

The characterization of dynamical processes in living systems provides important clues for their mechanistic interpretation and link to biological functions. Thanks to recent advances in microscopy techniques, it is now possible to…

Data Analysis, Statistics and Probability · Physics 2023-11-29 Jesús Pineda , Benjamin Midtvedt , Harshith Bachimanchi , Sergio Noé , Daniel Midtvedt , Giovanni Volpe , Carlo Manzo

We present a new strategy for learning the functional relation between a pair of variables, while addressing inhomogeneities in the correlation structure of the available data, by modelling the sought function as a sample function of a…

Machine Learning · Statistics 2024-04-22 Gargi Roy , Dalia Chakrabarty

In this contribution we deal with the problem of learning an undirected graph which encodes the conditional dependence relationship between variables of a complex system, given a set of observations of this system. This is a very central…

Methodology · Statistics 2019-07-26 Daniela De Canditiis , Armando Guardasole

Graphs are common mathematical structures that are visual and intuitive. They constitute a natural and seamless way for system modelling in science, engineering and beyond, including computer science, biology, business process modelling,…

Formal Languages and Automata Theory · Computer Science 2020-12-03 Berthold Hoffmann , Mark Minas

This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial properties of atomic-scale structures. We focus on Gaussian…

Chemical Physics · Physics 2019-04-04 Andrea Grisafi , David M. Wilkins , Michael J. Willatt , Michele Ceriotti

Despite the effectiveness of multitask deep neural network (MTDNN), there is a limited theoretical understanding on how the information is shared across different tasks in MTDNN. In this work, we establish a formal connection between MTDNN…

Machine Learning · Computer Science 2019-12-13 Karthikeyan K , Shubham Kumar Bharti , Piyush Rai

Transformed Gaussian Processes (TGPs) are stochastic processes specified by transforming samples from the joint distribution from a prior process (typically a GP) using an invertible transformation; increasing the flexibility of the base…

Machine Learning · Computer Science 2023-11-03 Francisco Javier Sáez-Maldonado , Juan Maroñas , Daniel Hernández-Lobato

Learning representation on graph plays a crucial role in numerous tasks of pattern recognition. Different from grid-shaped images/videos, on which local convolution kernels can be lattices, however, graphs are fully coordinate-free on…

Machine Learning · Computer Science 2018-11-13 Jiatao Jiang , Zhen Cui , Chunyan Xu , Jian Yang

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We…

Machine Learning · Computer Science 2020-02-05 Nils M. Kriege , Fredrik D. Johansson , Christopher Morris

Artificial intelligence for graphs has achieved remarkable success in modeling complex systems, ranging from dynamic networks in biology to interacting particle systems in physics. However, the increasingly heterogeneous graph datasets call…

Machine Learning · Computer Science 2023-01-25 Yasha Ektefaie , George Dasoulas , Ayush Noori , Maha Farhat , Marinka Zitnik

We study the application of graph random features (GRFs) - a recently introduced stochastic estimator of graph node kernels - to scalable Gaussian processes on discrete input spaces. We prove that (under mild assumptions) Bayesian inference…

Machine Learning · Computer Science 2025-09-29 Matthew Zhang , Jihao Andreas Lin , Krzysztof Choromanski , Adrian Weller , Richard E. Turner , Isaac Reid

In this paper we investigate a link between state- space models and Gaussian Processes (GP) for time series modeling and forecasting. In particular, several widely used state- space models are transformed into continuous time form and…

Machine Learning · Statistics 2016-10-27 Alexander Grigorievskiy , Juha Karhunen

Bayesian inference and kernel methods are well established in machine learning. The neural network Gaussian process in particular provides a concept to investigate neural networks in the limit of infinitely wide hidden layers by using…

Disordered Systems and Neural Networks · Physics 2023-11-10 Javed Lindner , David Dahmen , Michael Krämer , Moritz Helias

Within the past two decades, Gaussian process regression has been increasingly used for modeling dynamical systems due to some beneficial properties such as the bias variance trade-off and the strong connection to Bayesian mathematics. As…

Systems and Control · Electrical Eng. & Systems 2021-02-11 Thomas Beckers

This paper considers generalised network, intended as networks where (a) the edges connecting the nodes are nonlinear, and (b) stochastic processes are continuously indexed over both vertices and edges. Such topological structures are…

Social and Information Networks · Computer Science 2023-09-29 Tobia Filosi , Claudio Agostinelli , Emilio Porcu