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This chapter deals with kernel methods as a special class of techniques for surrogate modeling. Kernel methods have proven to be efficient in machine learning, pattern recognition and signal analysis due to their flexibility, excellent…

Numerical Analysis · Mathematics 2022-10-31 Gabriele Santin , Bernard Haasdonk

The increasing use of stochastic models for describing complex phenomena warrants surrogate models that capture the reference model characteristics at a fraction of the computational cost, foregoing potentially expensive Monte Carlo…

Machine Learning · Computer Science 2024-06-10 Neil Kichler , Sher Afghan , Uwe Naumann

We present a framework for inferring an atmospheric transmission profile from a spectral scene. This framework leverages a lightweight, physics-based simulator that is automatically tuned - by virtue of autodifferentiation and…

Machine Learning · Computer Science 2024-05-01 James Koch , Brenda Forland , Bruce Bernacki , Timothy Doster , Tegan Emerson

This study investigates whether Physically Recurrent Neural Networks (PRNNs), a recent surrogate model for heterogeneous materials, trained on a micromodel with fixed material parameters, can maintain accuracy for varying material…

Disordered Systems and Neural Networks · Physics 2025-04-17 N. Kovács , I. B. C. M. Rocha , F. P. van der Meer , C. Furtado , P. P. Camanho

Significant theoretical work has established that in specific regimes, neural networks trained by gradient descent behave like kernel methods. However, in practice, it is known that neural networks strongly outperform their associated…

Machine Learning · Computer Science 2022-07-01 Alex Damian , Jason D. Lee , Mahdi Soltanolkotabi

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior.…

Machine Learning · Computer Science 2023-03-20 Matthias Bitzer , Mona Meister , Christoph Zimmer

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Spiking neural networks are nature's versatile solution to fault-tolerant and energy efficient signal processing. To translate these benefits into hardware, a growing number of neuromorphic spiking neural network processors attempt to…

Neural and Evolutionary Computing · Computer Science 2019-05-06 Emre O. Neftci , Hesham Mostafa , Friedemann Zenke

Seismic events, among many other natural hazards, reduce due functionality and exacerbate vulnerability of in-service buildings. Accurate modeling and prediction of building's response subjected to earthquakes makes possible to evaluate…

Signal Processing · Electrical Eng. & Systems 2019-09-19 Ruiyang Zhang , Yang Liu , Hao Sun

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

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

We introduce physics informed neural networks -- neural networks that are trained to solve supervised learning tasks while respecting any given law of physics described by general nonlinear partial differential equations. In this two part…

Artificial Intelligence · Computer Science 2017-11-30 Maziar Raissi , Paris Perdikaris , George Em Karniadakis

Numerical models based on physics represent the state-of-the-art in earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model…

Machine Learning · Computer Science 2022-01-10 Kate Duffy , Thomas Vandal , Weile Wang , Ramakrishna Nemani , Auroop R. Ganguly

The relative balance between physics and data within any physics-informed machine learner is an important modelling consideration to ensure that the benefits of both physics and data-based approaches are maximised. An over reliance on…

Machine Learning · Computer Science 2025-06-16 Daniel James Pitchforth , Matthew Rhys Jones , Samuel John Gibson , Elizabeth Jane Cross

In the continual effort to improve product quality and decrease operations costs, computational modeling is increasingly being deployed to determine feasibility of product designs or configurations. Surrogate modeling of these computer…

Machine Learning · Statistics 2021-11-10 Nathan Wycoff , Mickaël Binois , Robert B. Gramacy

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

A deep-learning-based surrogate model is developed and applied for predicting dynamic subsurface flow in channelized geological models. The surrogate model is based on deep convolutional and recurrent neural network architectures,…

Machine Learning · Computer Science 2020-05-20 Meng Tang , Yimin Liu , Louis J. Durlofsky

There is renewed interest in developing small modular reactors and micro-reactors. Innovation is necessary in both construction and operation methods of these reactors to be financially attractive. For operation, an area of interest is the…

Computational Physics · Physics 2020-07-14 Akshay J. Dave , Jarod Wilson , Kaichao Sun

Recent works have explored the potential of machine learning as data-driven turbulence closures for RANS and LES techniques. Beyond these advances, the high expressivity and agility of physics-informed neural networks (PINNs) make them…

Machine Learning · Computer Science 2021-03-08 Didier Lucor , Atul Agrawal , Anne Sergent

Data-driven models for predicting dynamic responses of linear and nonlinear systems are of great importance due to their wide application from probabilistic analysis to inverse problems such as system identification and damage diagnosis. In…

Machine Learning · Computer Science 2020-12-29 Soheil Sadeghi Eshkevari , Martin Takáč , Shamim N. Pakzad , Majid Jahani