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We investigate a deep learning approach to efficiently perform Bayesian inference in partial differential equation (PDE) and integral equation models over potentially high-dimensional parameter spaces. The contributions of this paper are…

Numerical Analysis · Mathematics 2021-03-26 Teo Deveney , Eike Mueller , Tony Shardlow

Controlling heat flow at the nanoscales is pivotal to several applications, including thermal energy harvesting and heat management. However, engineering nanostructures is challenging because phonon-boundary interaction, not contemplated by…

Materials Science · Physics 2021-06-08 Giuseppe Romano

Nanostructured semiconducting materials are promising candidates for thermoelectrics due to their potential to suppress phonon transport while preserving electrical properties. Modeling phonon-boundary scattering in complex geometries is…

Materials Science · Physics 2017-10-02 Giuseppe Romano , Alexie M. Kolpak

We propose Physics-Aware Neural Implicit Solvers (PANIS), a novel, data-driven framework for learning surrogates for parametrized Partial Differential Equations (PDEs). It consists of a probabilistic, learning objective in which weighted…

Machine Learning · Statistics 2025-01-27 Matthaios Chatzopoulos , Phaedon-Stelios Koutsourelakis

An efficient implicit kinetic scheme is developed to solve the stationary phonon Boltzmann transport equation (BTE) based on the non-gray model including the phonon dispersion and polarization. Due to the wide range of the dispersed phonon…

Computational Physics · Physics 2018-06-08 Chuang Zhang , Songze Chen , Zhaoli Guo

The Boltzmann transport equation (BTE) has proven indispensable in elucidating quasiballistic heat dynamics. Experimental observations of nondiffusive thermal transients, however, are interpreted almost exclusively through purely diffusive…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 Bjorn Vermeersch

Advances in nanotechnology have facilitated the exploration of submicron thermal transport. At this scale, Fourier's law is no longer applicable, and the governing equation for thermal transport is the phonon Boltzmann transport equation…

Mesoscale and Nanoscale Physics · Physics 2023-06-27 Yue Hu , Ru Jia , Jiaxuan Xu , Yufei Sheng , Minhua Wen , James Lin , Yongxing Shen , Hua Bao

We consider solving complex spatiotemporal dynamical systems governed by partial differential equations (PDEs) using frequency domain-based discrete learning approaches, such as Fourier neural operators. Despite their widespread use for…

Machine Learning · Computer Science 2024-07-17 Qingsong Xu , Nils Thuerey , Yilei Shi , Jonathan Bamber , Chaojun Ouyang , Xiao Xiang Zhu

Neural networks (NNs) are often used as surrogates or emulators of partial differential equations (PDEs) that describe the dynamics of complex systems. A virtually negligible computational cost of such surrogates renders them an attractive…

Numerical Analysis · Mathematics 2021-05-04 Dong H. Song , Daniel M. Tartakovsky

This study proposes FTI-PBSM (Fixed-Time-Increment Physics-informed neural network-Based Surrogate Model), a novel physics-informed surrogate modeling framework designed for real-time reconstruction of transient responses in time-dependent…

Computational Physics · Physics 2025-08-11 Hong-Kyun Noh , Jeong-Hoon Park , Minseok Choi , Jae Hyuk Lim

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the dependence of the solution on the shape of the…

Numerical Analysis · Mathematics 2024-09-20 Linying Zhang , Stefano Pagani , Jun Zhang , Francesco Regazzoni

Neural networks can be used as surrogates for PDE models. They can be made physics-aware by penalizing underlying equations or the conservation of physical properties in the loss function during training. Current approaches allow to…

Machine Learning · Computer Science 2022-07-01 Raphael Leiteritz , Patrick Buchfink , Bernard Haasdonk , Dirk Pflüger

Traditional numerical schemes for simulating fluid flow and transport in porous media can be computationally expensive. Advances in machine learning for scientific computing have the potential to help speed up the simulation time in many…

Computational Physics · Physics 2023-07-06 Waleed Diab , Omar Chaabi , Shayma Alkobaisi , Abeeb Awotunde , Mohammed Al Kobaisi

Specifying a governing physical model in the presence of missing physics and recovering its parameters are two intertwined and fundamental problems in science. Modern machine learning allows one to circumvent these, via emulators and…

Machine Learning · Computer Science 2020-06-30 Daniel J. Tait , Theodoros Damoulas

Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…

Materials Science · Physics 2023-08-03 S. Aria Hosseini , Alex Greaney , Giuseppe Romano

High-density through-substrate vias (TSVs) enable 2.5D/3D heterogeneous integration but introduce significant signal-integrity and thermal-reliability challenges due to electrical coupling, insertion loss, and self-heating. Conventional…

Machine Learning · Computer Science 2026-04-01 Mohamed Gharib , Leonid Popryho , Inna Partin-Vaisband

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained…

Machine Learning · Computer Science 2023-10-24 Phillip Lippe , Bastiaan S. Veeling , Paris Perdikaris , Richard E. Turner , Johannes Brandstetter

Developing fast surrogates for Partial Differential Equations (PDEs) will accelerate design and optimization in almost all scientific and engineering applications. Neural networks have been receiving ever-increasing attention and…

Machine Learning · Computer Science 2024-11-21 AmirPouya Hemmasian , Amir Barati Farimani

This paper presents a comprehensive review of the design of experiments used in the surrogate models. In particular, this study demonstrates the necessity of the design of experiment schemes for the Physics-Informed Neural Network (PINN),…

Machine Learning · Statistics 2022-02-15 Sourav Das , Solomon Tesfamariam