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The Direct Simulation Monte Carlo (DSMC) method is the gold standard for non-equilibrium rarefied gas dynamics, yet its computational cost can be prohibitive, especially for near-continuum regimes and high-fidelity \emph{ab initio}…

Computational Physics · Physics 2026-02-26 Ehsan Roohi , Ahmad Shoja-Sani , Stefan Stefanov

In this work, we propose a uniformly accurate, structure-preserving neural surrogate for the radiative transfer equation with periodic boundary conditions based on a multiscale parity decomposition framework. The formulation introduces a…

Numerical Analysis · Mathematics 2025-11-10 Mengjia Bai , Jingrun Chen , Keke Wu

This work introduces a neural operator based surrogate modeling framework for neutron transport computation. Two architectures, the Deep Operator Network (DeepONet) and the Fourier Neural Operator (FNO), were trained for fixed source…

Computational Physics · Physics 2026-02-19 Md Hossain Sahadath , Qiyun Cheng , Shaowu Pan , Wei Ji

Previously derived Lane consistent dispersive coupled-channel optical model for nucleon scattering on $^{232}$Th and $^{238}$U nuclei is extended to describe scattering on even-even actinides with $Z=$90--98. A soft-rotator-model (SRM)…

Nuclear Theory · Physics 2017-10-11 D. S. Martyanov , E. Sh. Soukhovitskii , R. Capote , J. M. Quesada , S. Chiba

We introduce a new strategy for compositional neural surrogates for radiation-matter interactions, a key task spanning domains from particle physics through nuclear and space engineering to medical physics. Exploiting the locality and the…

This paper introduces a comprehensive open-source framework for developing correlation kernels, with a particular focus on user-defined and composition of kernels for surrogate modeling. By advancing kernel-based modeling techniques, we…

Machine Learning · Computer Science 2025-07-15 Nicolas Gonel , Paul Saves , Joseph Morlier

We present three variants of a lightweight, fully connected artificial neural network, suited for interactive estimation of three-dimensional, spatially resolved volumes of scattered radiation fields and a corresponding training pipeline…

Machine Learning · Computer Science 2026-04-16 Felix Lehner , Pasquale Lombardo , Susana Castillo , Oliver Hupe , Marcus Magnor

Scattering networks are a class of designed Convolutional Neural Networks (CNNs) with fixed weights. We argue they can serve as generic representations for modelling images. In particular, by working in scattering space, we achieve…

Surrogate neural network-based models have been lately trained and used in a variety of science and engineering applications where the number of evaluations of a target function is limited by execution time. In cell phone camera systems,…

Computational Engineering, Finance, and Science · Computer Science 2022-06-29 Shantanu Shahane , Erman Guleryuz , Diab W Abueidda , Allen Lee , Joe Liu , Xin Yu , Raymond Chiu , Seid Koric , Narayana R Aluru , Placid M Ferreira

High-resolution optical microscopy has transformed biological imaging, yet its resolution and contrast deteriorate with depth due to multiple light scattering. Conventional correction strategies typically approximate the medium as one or a…

The computational cost of geochemical solvers is a challenging matter. For reactive transport simulations, where chemical calculations are performed up to billions of times, it is crucial to reduce the total computational time. Existing…

Machine Learning · Computer Science 2026-03-17 Leonardo Boledi , Dirk Bosbach , Jenna Poonoosamy

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

This study presents a deep neural network (DNN) framework that accelerates Direct Simulation Monte Carlo (DSMC) computations for rarefied-gas flows, while maintaining high physical fidelity. First, a fully connected deep neural network is…

Computational Physics · Physics 2025-07-01 Ehsan Roohi , Ahmad Shoja-sani

This study presents an integrated computational framework that, given synthesis parameters, predicts the resulting microstructural morphology and mechanical response of ceramic aerogel porous materials by combining physics-based simulations…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Md Azharul Islam , Dwyer Deighan , Shayan Bhattacharjee , Daniel Tantalo , Pratyush Kumar Singh , David Salac , Danial Faghihi

Inverse problems and, in particular, inferring unknown or latent parameters from data are ubiquitous in engineering simulations. A predominant viewpoint in identifying unknown parameters is Bayesian inference where both prior information…

Computation · Statistics 2022-08-31 Vahid Keshavarzzadeh , Robert M. Kirby , Akil Narayan

This paper presents an end-to-end differentiable algorithm for robust and detail-preserving surface normal estimation on unstructured point-clouds. We utilize graph neural networks to iteratively parameterize an adaptive anisotropic kernel…

Computer Vision and Pattern Recognition · Computer Science 2020-06-24 Jan Eric Lenssen , Christian Osendorfer , Jonathan Masci

Simulating complex physical processes across a domain of input parameters can be very computationally expensive. Multi-fidelity surrogate modeling can resolve this issue by integrating cheaper simulations with the expensive ones in order to…

Methodology · Statistics 2026-02-03 Romain Boutelet , Chih-Li Sung

Gravitational waveform templates are a key ingredient for the detection and characterization of gravitational waves emitted by compact binary mergers in the universe. These templates must be physically accurate and extensive, but also…

General Relativity and Quantum Cosmology · Physics 2026-04-17 Christopher Whittall , Geraint Pratten

We develop a unified geometric framework for nonparametric estimation based on the notion of Twin Kernel Spaces, defined as orbits of a reproducing kernel under a group action. This structure induces a family of transported RKHS geometries…

Statistics Theory · Mathematics 2025-12-16 Jocelyn Nembé

We present a probabilistic, data-driven surrogate model for predicting the radiative properties of nanoparticle embedded scattering media. The model uses conditional normalizing flows, which learn the conditional distribution of optical…

Machine Learning · Statistics 2025-08-28 Fahime Seyedheydari , Kevin Conley , Simo Särkkä
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