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We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

This paper introduces a novel graph signal processing framework for building graph-based models from classes of filtered signals. In our framework, graph-based modeling is formulated as a graph system identification problem, where the goal…

Machine Learning · Computer Science 2018-03-08 Hilmi E. Egilmez , Eduardo Pavez , Antonio Ortega

Geometric Deep Learning (GDL) unifies a broad class of machine learning techniques from the perspectives of symmetries, offering a framework for introducing problem-specific inductive biases like Graph Neural Networks (GNNs). However, the…

Machine Learning · Computer Science 2024-08-29 Osvaldo Velarde , Lucas Parra , Paolo Boldi , Hernan Makse

Graph Neural Networks (GNNs) are a form of deep learning that enable a wide range of machine learning applications on graph-structured data. The learning of GNNs, however, is known to pose challenges for memory-constrained devices such as…

Machine Learning · Computer Science 2023-05-01 Jeroen Bollen , Jasper Steegmans , Jan Van den Bussche , Stijn Vansummeren

We introduce Geometric Neural Operators (GNPs) for accounting for geometric contributions in data-driven deep learning of operators. We show how GNPs can be used (i) to estimate geometric properties, such as the metric and curvatures, (ii)…

Machine Learning · Computer Science 2024-04-18 Blaine Quackenbush , Paul J. Atzberger

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

Computational Physics · Physics 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

Parametric approaches to Learning, such as deep learning (DL), are highly popular in nonlinear regression, in spite of their extremely difficult training with their increasing complexity (e.g. number of layers in DL). In this paper, we…

Machine Learning · Computer Science 2018-03-23 Ashkan Panahi , Hamid Krim , Liyi Dai

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Deep learning is a hierarchical inference method formed by subsequent multiple layers of learning able to more efficiently describe complex relationships. In this work, Deep Gaussian Mixture Models are introduced and discussed. A Deep…

Machine Learning · Statistics 2017-11-21 Cinzia Viroli , Geoffrey J. McLachlan

Graph attention networks learn neighbor importance through data-dependent coefficients, but standard layers lack explicit control over unreliable feature dimensions and use fixed sharpness of attention coefficient distributions. This paper…

Machine Learning · Computer Science 2026-05-29 Zhongtian Ma , Hao Wu , Yexin Zhang , Qiaosheng Zhang , Zhen Wang

Deep neural networks (DNNs) are powerful tools for compressing and distilling information. Their scale and complexity, often involving billions of inter-dependent parameters, render direct microscopic analysis difficult. Under such…

Machine Learning · Statistics 2022-09-26 Inbar Seroussi , Gadi Naveh , Zohar Ringel

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

Despite significant advances in the field of deep learning in applications to various fields, explaining the inner processes of deep learning models remains an important and open question. The purpose of this article is to describe and…

Machine Learning · Computer Science 2022-04-20 German Magai , Anton Ayzenberg

In a variety of geoscientific applications scientists often need to image properties of the Earth's interior in order to understand the heterogeneity and processes taking place within the Earth. Seismic tomography is one such method which…

Geophysics · Physics 2025-04-22 Xin Zhang , Kaiwen Xia

This article provides an expository account of training dynamics in the Deep Linear Network (DLN) from the perspective of the geometric theory of dynamical systems. Rigorous results by several authors are unified into a thermodynamic…

Neural and Evolutionary Computing · Computer Science 2024-11-15 Govind Menon

Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

Machine Learning · Computer Science 2021-06-28 Michael Hunter Ashby , Jenna A. Bilbrey

Deep Neural Networks (DNNs) can be represented as graphs whose links and vertices iteratively process data and solve tasks sub-optimally. Complex Network Theory (CNT), merging statistical physics with graph theory, provides a method for…

Machine Learning · Computer Science 2024-04-19 Emanuele La Malfa , Gabriele La Malfa , Giuseppe Nicosia , Vito Latora

A graph neural network (GCN) is employed in the deep energy method (DEM) model to solve the momentum balance equation in 3D for the deformation of linear elastic and hyperelastic materials due to its ability to handle irregular domains over…

Computational Engineering, Finance, and Science · Computer Science 2022-10-21 Junyan He , Diab Abueidda , Seid Koric , Iwona Jasiuk

Establishing accurate morphological measurements of galaxies in a reasonable amount of time for future big-data surveys such as EUCLID, the Large Synoptic Survey Telescope or the Wide Field Infrared Survey Telescope is a challenge. Because…

Instrumentation and Methods for Astrophysics · Physics 2017-06-14 D. Tuccillo , M. Huertas-Company , E. Decenciere , S. Velasco-Forero