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Modeling thermal states for complex space missions, such as the surface exploration of airless bodies, requires high computation, whether used in ground-based analysis for spacecraft design or during onboard reasoning for autonomous…

Machine Learning · Computer Science 2024-09-06 Manaswin Oddiraju , Zaki Hasnain , Saptarshi Bandyopadhyay , Eric Sunada , Souma Chowdhury

Machine learning recently proved efficient in learning differential equations and dynamical systems from data. However, the data is commonly assumed to originate from a single never-changing system. In contrast, when modeling real-world…

Machine Learning · Computer Science 2022-06-28 Leonard Bereska , Efstratios Gavves

Using artificial neural-network machine learning (ANN-ML) to generate interatomic potentials has been demonstrated to be a promising approach to address the long-standing challenge of accuracy versus efficiency in molecular dynamics (MD)…

Materials Science · Physics 2022-08-16 Chao Zhang , Ling Tang , Yang Sun , Kai-Ming Ho , Renata M. Wentzcovitch , Cai-Zhuang Wang

Atomistic simulations of multi-component systems require accurate descriptions of interatomic interactions to resolve details in the energy of competing phases. A particularly challenging case are topologically close-packed (TCP) phases…

Accurate characterization of subsurface heterogeneity is challenging but essential for applications such as reservoir pressure management, geothermal energy extraction and CO$_2$, H$_2$, and wastewater injection operations. This challenge…

Machine Learning · Computer Science 2026-04-16 Harun Ur Rashid , Mingxin Li , Aleksandra Pachalieva , Georg Stadler , Daniel O'Malley

High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research…

Plasma Physics · Physics 2025-10-14 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

Deep Reservoir Computing has emerged as a new paradigm for deep learning, which is based around the reservoir computing principle of maintaining random pools of neurons combined with hierarchical deep learning. The reservoir paradigm…

Neural and Evolutionary Computing · Computer Science 2020-10-16 Matthew Evanusa , Cornelia Fermüller , Yiannis Aloimonos

This paper introduces a \textit{Process-Guided Learning (Pril)} framework that integrates physical models with recurrent neural networks (RNNs) to enhance the prediction of dissolved oxygen (DO) concentrations in lakes, which is crucial for…

Machine Learning · Computer Science 2024-11-21 Runlong Yu , Chonghao Qiu , Robert Ladwig , Paul C. Hanson , Yiqun Xie , Yanhua Li , Xiaowei Jia

This work presents a hybrid modeling approach to data-driven learning and representation of unknown physical processes and closure parameterizations. These hybrid models are suitable for situations where the mechanistic description of…

Computational Physics · Physics 2021-08-17 Suraj Pawar , Omer San , Adil Rasheed , Ionel M. Navon

We propose an accelerated computational fluid dynamics framework based on a hybrid Fourier Neural Operator-Lattice Boltzmann Method (FNO-LBM) for steady and unsteady weakly compressible flows. FNO-based initialization significantly…

Fluid Dynamics · Physics 2026-05-01 Alexandra Junk , Josef M. Winter , Meike Tütken , Steffen Schmidt , Nikolaus A. Adams

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

Machine Learning · Computer Science 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

Physics-Infused Machine Learning (PIML) architectures aim at integrating machine learning with computationally-efficient, low-fidelity (partial) physics models, leading to improved generalizability, extrapolability, and robustness to noise,…

Computational Engineering, Finance, and Science · Computer Science 2022-01-19 Rayhaan Iqbal , Amir Behjat , Revant Adlakha , Jesse Callanan , Mostafa Nouh , Souma Chowdhury

The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…

High Energy Physics - Experiment · Physics 2024-07-16 Francesco Vaselli , Filippo Cattafesta , Patrick Asenov , Andrea Rizzi

We develop a proxy model based on deep learning methods to accelerate the simulations of oil reservoirs--by three orders of magnitude--compared to industry-strength physics-based PDE solvers. This paper describes a new architectural…

Machine Learning · Computer Science 2019-09-23 Jiri Navratil , Alan King , Jesus Rios , Georgios Kollias , Ruben Torrado , Andres Codas

The paradigm of reservoir computing exploits the nonlinear dynamics of a physical reservoir to perform complex time-series processing tasks such as speech recognition and forecasting. Unlike other machine-learning approaches, reservoir…

Quantum Physics · Physics 2021-11-08 Saeed Ahmed Khan , Fangjun Hu , Gerasimos Angelatos , Hakan E. Türeci

The control of complex systems is of critical importance in many branches of science, engineering, and industry. Controlling an unsteady fluid flow is particularly important, as flow control is a key enabler for technologies in energy…

Machine Learning · Computer Science 2020-12-18 Katharina Bieker , Sebastian Peitz , Steven L. Brunton , J. Nathan Kutz , Michael Dellnitz

This paper presents our work on developing parallel computational methods for two-phase flow on modern parallel computers, where techniques for linear solvers and nonlinear methods are studied and the standard and inexact Newton methods are…

Computational Engineering, Finance, and Science · Computer Science 2017-01-24 Hui Liu , Lihua Shen , Yan Chen , Kun Wang , Bo Yang , Zhangxin Chen

Engineering simulators used for steady-state multiphase pipe flows are commonly utilized to predict pressure drop. Such simulators are typically based on either empirical correlations or first-principles mechanistic models. The simulators…

Data Analysis, Statistics and Probability · Physics 2019-06-04 Evgenii Kanin , Andrei Osiptsov , Albert Vainshtein , Evgeny Burnaev

Mixtures of linear dynamical systems (MoLDS) provide a path to model time-series data that exhibit diverse temporal dynamics across trajectories. However, its application remains challenging in complex and noisy settings, limiting its…

Machine Learning · Computer Science 2026-03-02 Lulu Gong , Shreya Saxena

Simulation of turbulent flows at high Reynolds number is a computationally challenging task relevant to a large number of engineering and scientific applications in diverse fields such as climate science, aerodynamics, and combustion.…

Computational Physics · Physics 2020-10-06 Jaideep Pathak , Mustafa Mustafa , Karthik Kashinath , Emmanuel Motheau , Thorsten Kurth , Marcus Day