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We propose a new algorithm for non-equilibrium molecular dynamics simulations of thermal gradients. The algorithm is an extension of the heat exchange algorithm developed by Hafskjold and co-workers [Mol. Phys. 80, 1389 (1993); Mol. Phys.…

Computational Physics · Physics 2015-10-30 P. Wirnsberger , D. Frenkel , C. Dellago

This paper proposes a deep-learning based generalized reduced-order model (ROM) that can provide a fast and accurate prediction of the glottal flow during normal phonation. The approach is based on the assumption that the vibration of the…

Fluid Dynamics · Physics 2020-05-26 Yang Zhang , Weili Jiang , Luning Sun , Jianxun Wang , Simeon Smith , Ingo R. Titze , Xudong Zheng , Qian Xue

The hierarchical equations of motion (HEOM) approach is an accurate method to simulate open system quantum dynamics, which allows for systematic convergence to numerically exact results. To represent the effects of the bath, the reservoir…

Strongly Correlated Electrons · Physics 2023-05-31 Xiaohan Dan , Meng Xu , J. T. Stockburger , J. Ankerhold , Qiang Shi

In this paper, Hamiltonian and energy preserving reduced-order models are developed for the rotating thermal shallow water equation (RTSWE) in the non-canonical Hamiltonian form with the state-dependent Poisson matrix. The high fidelity…

Numerical Analysis · Mathematics 2024-06-19 Suleyman Yildiz , Murat Uzunca , Bulent Karasozen

In this work, we propose the Prony fitting decomposition (PFD) as an accurate and efficient exponential series method, applicable to arbitrary interacting bath correlation functions. The resulting hierarchical equations of motion (HEOM)…

Quantum Physics · Physics 2022-06-30 Zi-Hao Chen , Yao Wang , Xiao Zheng , Rui-Xue Xu , YiJing Yan

Numerical simulation of steady-state heat conduction is common for thermal engineering. The simulation process usually involves mathematical formulation, numerical discretization and iteration of discretized ordinary or partial differential…

Applied Physics · Physics 2020-10-09 Jiang-Zhou Peng , Xianglei Liu , Nadine Aubry , Zhihua Chen , Wei-Tao Wu

We present a novel tensor network algorithm to solve the time-dependent, gray thermal radiation transport equation. The method invokes a tensor train (TT) decomposition for the specific intensity. The efficiency of this approach is dictated…

Instrumentation and Methods for Astrophysics · Physics 2025-03-25 Alex A. Gorodetsky , Patrick D. Mullen , Aditya Deshpande , Joshua C. Dolence , Chad D. Meyer , Jonah M. Miller , Luke F. Roberts

A model order reduction technique is combined with an embedded boundary finite element method with a POD-Galerkin strategy. The proposed methodology is applied to parametrized heat transfer problems and we rely on a sufficiently refined…

Numerical Analysis · Mathematics 2018-12-18 E. N. Karatzas , G. Stabile , N. Atallah , G. Scovazzi , G. Rozza

This paper presents a multiscale methodology for efficient unsteady conjugate heat transfer simulations. The solid domain is modelled by coupling a global representation of the temperature field, based on the eigenfunctions of the unsteady…

Computational Physics · Physics 2025-07-31 Yann Dreze , Muting Hao , Luca di Mare

We present a method for computing reduced-order models of parameterized partial differential equation solutions. The key analytical tool is the singular value expansion of the parameterized solution, which we approximate with a singular…

Numerical Analysis · Mathematics 2014-11-03 Paul G. Constantine , David F. Gleich , Yangyang Hou , Jeremy Templeton

In this paper, based on neural networks, we develop a data-driven model for extremely fast prediction of steady-state heat convection of a hot object with arbitrary complex geometry in a two-dimensional space. According to the governing…

Applied Physics · Physics 2021-01-12 Jiang-Zhou Peng , Xianglei Liu , Nadine Aubry , Zhihua Chen , Wei-Tao Wu

As deep learning models continue to increase in size, the memory requirements for training have surged. While high-level techniques like offloading, recomputation, and compression can alleviate memory pressure, they also introduce…

Machine Learning · Computer Science 2023-10-31 Huiyao Shu , Ang Wang , Ziji Shi , Hanyu Zhao , Yong Li , Lu Lu

Accurate and efficient temperature prediction is critical for optimizing the preheating process of PET preforms in industrial microwave systems prior to blow molding. We propose a novel deep learning framework for generalized temperature…

Machine Learning · Computer Science 2025-10-08 Ahmad Alsheikh , Andreas Fischer

Accurate protein function prediction requires integrating heterogeneous intrinsic signals (e.g., sequence and structure) with noisy extrinsic contexts (e.g., protein-protein interactions and GO term annotations). However, two key challenges…

Machine Learning · Computer Science 2025-10-28 Runjie Zheng , Zhen Wang , Anjie Qiao , Jiancong Xie , Jiahua Rao , Yuedong Yang

We propose a Proper Orthogonal Decomposition (POD)-Galerkin based Reduced Order Model (ROM) for a Leray model. For the implementation of the model, we combine a two-step algorithm called Evolve-Filter (EF) with a computationally efficient…

Numerical Analysis · Mathematics 2021-04-14 Michele Girfoglio , Annalisa Quaini , Gianluigi Rozza

Deterministic solutions to the Sn transport equation can be computationally expensive to calculate. Reduced Order Models (ROMs) provide an efficient means of approximating the Full Order Model (FOM) solution. We propose a novel approach for…

Numerical Analysis · Mathematics 2025-12-17 Quincy Huhn , Jean Ragusa , Youngsoo Choi

Structural system identification in the presence of thermal loads is challenging, as unmeasured or poorly modeled thermal effects can mask or mimic damage, leading to unreliable conclusions. This work presents an optimization-driven,…

Optimization and Control · Mathematics 2026-03-11 Talhah Shamshad Ali Ansari , Suneth Warnakulasuriya , Ihar Antonau , Harbir Antil , Rainald Löhner , Roland Wüchner

This work introduces an approach rooted in quantum thermodynamics to enhance sampling efficiency in quantum machine learning (QML). We propose conceptualizing quantum supervised learning as a thermodynamic cooling process. Building on this…

Quantum Physics · Physics 2025-01-07 Nayeli A. Rodríguez-Briones , Daniel K. Park

Distributed learning offers a practical solution for the integrative analysis of multi-source datasets, especially under privacy or communication constraints. However, addressing prospective distributional heterogeneity and ensuring…

Methodology · Statistics 2025-11-27 Yinrui Sun , Yin Xia

In the whole aircraft structural optimization loop, thermal analysis plays a very important role. But it faces a severe computational burden when directly applying traditional numerical analysis tools, especially when each optimization…

Machine Learning · Computer Science 2022-03-17 Kairui Bao , Wen Yao , Xiaoya Zhang , Wei Peng , Yu Li