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Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis.…

Machine Learning · Computer Science 2023-10-04 Emanuele Zappala , Daniel Levine , Sizhuang He , Syed Rizvi , Sacha Levy , David van Dijk

We develop DeepOPF as a Deep Neural Network (DNN) approach for solving security-constrained direct current optimal power flow (SC-DCOPF) problems, which are critical for reliable and cost-effective power system operation.DeepOPF is inspired…

Systems and Control · Electrical Eng. & Systems 2020-09-24 Xiang Pan , Tianyu Zhao , Minghua Chen , Shengyu Zhang

The recently introduced DeepONet operator-learning framework for PDE control is extended from the results for basic hyperbolic and parabolic PDEs to an advanced hyperbolic class that involves delays on both the state and the system output…

Optimization and Control · Mathematics 2024-06-17 Jie Qi , Jing Zhang , Miroslav Krstic

Deep neural networks (DNNs) have emerged as a popular mathematical tool for function approximation due to their capability of modelling highly nonlinear functions. Their applications range from image classification and natural language…

Machine Learning · Computer Science 2019-12-30 SiQi Zhou , Angela P. Schoellig

This work explores the application of deep operator learning principles to a problem in statistical physics. Specifically, we consider the linear kinetic equation, consisting of a differential advection operator and an integral collision…

Numerical Analysis · Mathematics 2024-02-27 Jae Yong Lee , Steffen Schotthöfer , Tianbai Xiao , Sebastian Krumscheid , Martin Frank

Deep Operator Networks (DeepONets) provide a branch-trunk neural architecture for approximating nonlinear operators acting between function spaces. In the classical operator approximation framework, the input is a function $u\in C(K_1)$…

Machine Learning · Computer Science 2026-03-13 Vugar Ismailov

This paper proposes a learning-based framework for reconstructing 3D shapes from functional operators, compactly encoded as small-sized matrices. To this end we introduce a novel neural architecture, called OperatorNet, which takes as input…

Graphics · Computer Science 2019-08-29 Ruqi Huang , Marie-Julie Rakotosaona , Panos Achlioptas , Leonidas Guibas , Maks Ovsjanikov

Deep Neural Networks (DNNs) excel at many tasks, often rivaling or surpassing human performance. Yet their internal processes remain elusive, frequently described as "black boxes." While performance can be refined experimentally, achieving…

Disordered Systems and Neural Networks · Physics 2025-02-03 Sebastiano Ariosto

Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…

Materials Science · Physics 2021-12-06 Van-Quyen Nguyen , Viet-Cuong Nguyen , Tien-Cuong Nguyen , Tien-Lam Pham

Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…

Other Condensed Matter · Physics 2015-06-24 Robert K. Nesbet

Metasurfaces, typically realized as arrays of nanopillars, transform electromagnetic (EM) fields depending on their geometry and spatial arrangement. For solving the inverse problem of designing new metasurfaces that transform EM fields in…

Recently, neural operators have emerged as powerful tools for learning mappings between function spaces, enabling data-driven simulations of complex dynamics. Despite their successes, a deeper understanding of their learning mechanisms…

Machine Learning · Computer Science 2025-10-06 Wenhan Gao , Jian Luo , Fang Wan , Ruichen Xu , Xiang Liu , Haipeng Xing , Yi Liu

Neural Network Potentials (NNPs) have attracted significant attention as a method for accelerating density functional theory (DFT) calculations. However, conventional NNP models typically do not incorporate spin degrees of freedom, limiting…

Materials Science · Physics 2024-09-10 Koki Ueno , Satoru Ohuchi , Kazuhide Ichikawa , Kei Amii , Kensuke Wakasugi

Finding accurate exchange-correlation (XC) functionals remains the defining challenge in density functional theory (DFT). Despite 40 years of active development, the desired chemical accuracy is still elusive with existing functionals. We…

Chemical Physics · Physics 2024-09-11 Bikash Kanungo , Jeffrey Hatch , Paul M. Zimmerman , Vikram Gavini

This paper advances the study of multivariate function approximation using neural network operators activated by symmetrized and perturbed hyperbolic tangent functions. We propose new non-linear operators that preserve dynamic symmetries…

General Mathematics · Mathematics 2025-01-29 Rômulo Damasclin Chaves dos Santos , Jorge Henrique de Oliveira Sales

Neural operators have recently become popular tools for designing solution maps between function spaces in the form of neural networks. Differently from classical scientific machine learning approaches that learn parameters of a known…

Machine Learning · Computer Science 2022-09-07 Huaiqian You , Yue Yu , Marta D'Elia , Tian Gao , Stewart Silling

Recent work suggests goal-driven training of neural networks can be used to model neural activity in the brain. While response properties of neurons in artificial neural networks bear similarities to those in the brain, the network…

Neurons and Cognition · Quantitative Biology 2020-05-19 Christopher J. Cueva , Peter Y. Wang , Matthew Chin , Xue-Xin Wei

Deep neural networks (DNNs) have recently emerged as effective tools for approximating solution operators of partial differential equations (PDEs) including evolutionary problems. Classical numerical solvers for such PDEs often face…

Numerical Analysis · Mathematics 2025-09-05 Ke Chen , Meenakshi Krishnan , Haizhao Yang

Deep Neural networks are efficient and flexible models that perform well for a variety of tasks such as image, speech recognition and natural language understanding. In particular, convolutional neural networks (CNN) generate a keen…

Machine Learning · Computer Science 2018-12-20 Yesmina Jaafra , Jean Luc Laurent , Aline Deruyver , Mohamed Saber Naceur

Deep neural operators, such as DeepONets, have changed the paradigm in high-dimensional nonlinear regression from function regression to (differential) operator regression, paving the way for significant changes in computational engineering…