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Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…

Computational Physics · Physics 2015-06-05 Jean-Philippe Peraud , Nicolas Hadjiconstantinou

This paper concerns a kinetic model of the thermostated Boltzmann equation with a linear deformation force described by a constant matrix. The collision kernel under consideration includes both the Maxwell molecule and general hard…

Analysis of PDEs · Mathematics 2023-06-05 Renjun Duan , Shuangqian Liu

All discretized numerical models contain modelling errors - this reality is amplified when reduced-order models are used. The ability to accurately approximate modelling errors informs statistics on model confidence and improves…

Computational Physics · Physics 2021-03-17 Danny Smyl , Tyler N. Tallman , Jonathan A. Black , Andreas Hauptmann , Dong Liu

We design an asymptotic-preserving scheme for the semiconductor Boltzmann equation which leads to an energy-transport system for electron mass and internal energy as mean free path goes to zero. To overcome the stiffness induced by the…

Numerical Analysis · Mathematics 2013-09-06 Jingwei Hu , Li Wang

Finding reduced models of spatially-distributed chemical reaction networks requires an estimation of which effective dynamics are relevant. We propose a machine learning approach to this coarse graining problem, where a maximum entropy…

Biological Physics · Physics 2018-08-15 Oliver K. Ernst , Thomas Bartol , Terrence Sejnowski , Eric Mjolsness

Classical model reduction techniques project the governing equations onto a linear subspace of the original state space. More recent data-driven techniques use neural networks to enable nonlinear projections. Whilst those often enable…

Numerical Analysis · Mathematics 2024-06-19 Tjeerd Jan Heeringa , Christoph Brune , Mengwu Guo

This research addresses the numerical simulation of the Boltzmann transport equation for semiconductor devices by proposing a multidimensional self-adaptive numerical simulation framework. This framework is applied to two important…

Numerical Analysis · Mathematics 2025-09-22 Zeyu Zhang , Xiaoyu Zhang , Zhigang Song , Qing Fang

A double-distribution-function based lattice Boltzmann method (DDF-LBM) is proposed for the simulation of polyatomic gases in the supersonic regime. The model relies on an extended equilibrium state that is constructed to reproduce the…

Computational Physics · Physics 2020-02-13 Jonas Latt , Christophe Coreixas , Joel Beny , Andrea Parmigiani

We show how to accelerate the direct solution of the Boltzmann equation using Graphics Processing Units (GPUs). In order to fully exploit the computational power of the GPU, we choose a method of solution which combines a finite difference…

Computational Physics · Physics 2011-08-18 Aldo Frezzotti , Gian Pietro Ghiroldi , Livio Gibelli

The theory of Bayesian learning incorporates the use of Student-t Processes to model heavy-tailed distributions and datasets with outliers. However, despite Student-t Processes having a similar computational complexity as Gaussian…

Machine Learning · Computer Science 2025-08-12 Jian Xu , Delu Zeng

The non-equilibrium gas dynamics is described by the Boltzmann equation, which can be solved numerically through the deterministic and stochastic methods. Due to the complicated collision term of the Boltzmann equation, many kinetic…

Computational Physics · Physics 2021-02-03 Xiaocong Xu , Yipei Chen , Kun Xu

We propose a novel stochastic distributed method for both monotone and strongly monotone variational inequalities with Lipschitz operator and proper convex regularizers arising in various applications from game theory to adversarial…

Optimization and Control · Mathematics 2024-10-07 Aleksandr Beznosikov , Darina Dvinskikh , Dmitry Bylinkin , Andrei Semenov , Alexander Gasnikov

The radiative transfer equation is a fundamental equation in transport theory and applications, which is a 5-dimensional PDE in the stationary one-velocity case, leading to great difficulties in numerical simulation. To tackle this…

Numerical Analysis · Mathematics 2022-01-05 Jianguo Huang , Yue Yu

We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…

Quantum Physics · Physics 2016-12-06 R. Esteban Goetz , Andrea Simoni , Christiane P. Koch

Dynamical low-rank (DLR) approximation has gained interest in recent years as a viable solution to the curse of dimensionality in the numerical solution of kinetic equations including the Boltzmann and Vlasov equations. These methods…

Numerical Analysis · Mathematics 2024-04-12 Jack Coughlin , Jingwei Hu , Uri Shumlak

Deep neural network (DNN) and auto differentiation have been widely used in computational physics to solve variational problems. When DNN is used to represent the wave function to solve quantum many-body problems using variational…

Nuclear Theory · Physics 2023-04-26 Kai-Fang Pu , Hanlin Li , Hong-Liang Lu , Long-Gang Pang

Graph Representation Learning (GRL) has become a key paradigm in network analysis, with a plethora of interdisciplinary applications. As the scale of networks increases, most of the widely used learning-based graph representation models…

Machine Learning · Computer Science 2022-10-12 Abdulkadir Çelikkanat , Fragkiskos D. Malliaros , Apostolos N. Papadopoulos

This work is aimed to develop a new class of methods for the BGK model of the Boltzmann equation. This technique allows to get high order of accuracy both in space and time, theoretically without CFL stability limitation. It's based on a…

Numerical Analysis · Mathematics 2011-03-29 Pietro Santagati , Giovanni Russo

Stochastic convex optimization algorithms are the most popular way to train machine learning models on large-scale data. Scaling up the training process of these models is crucial, but the most popular algorithm, Stochastic Gradient Descent…

Machine Learning · Statistics 2018-10-30 Ashok Cutkosky , Robert Busa-Fekete

Accurate quantification of uncertainty in neural network predictions remains a central challenge for scientific applications involving high-dimensional, correlated data. While existing methods capture either aleatoric or epistemic…

Machine Learning · Computer Science 2025-08-26 Harrison J. Goldwyn , Mitchell Krock , Johann Rudi , Daniel Getter , Julie Bessac