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We study rare-event simulation for a class of problems where the target hitting sets of interest are defined via modern machine learning tools such as neural networks and random forests. This problem is motivated from fast emerging studies…

Machine Learning · Computer Science 2020-10-13 Yuanlu Bai , Zhiyuan Huang , Henry Lam , Ding Zhao

We propose a supervised machine learning algorithm, decision trees, to analyze molecular dynamics output. The approach aims to identify the predominant geometric features which correlate with trajectories that transition between two…

Chemical Physics · Physics 2021-10-13 Sander Roet , Christopher David Daub , Enrico Riccardi

A resolution-independent data-driven stochastic parametrization method for subgrid-scale processes in coarsened fluid descriptions is proposed. The method enables the inclusion of high-fidelity data into the coarsened flow model, thereby…

Fluid Dynamics · Physics 2023-04-26 Sagy Ephrati , Paolo Cifani , Milo Viviani , Bernard Geurts

Machine learning models are gaining increasing popularity in the domain of fluid dynamics for their potential to accelerate the production of high-fidelity computational fluid dynamics data. However, many recently proposed machine learning…

Machine Learning · Computer Science 2023-03-01 Dule Shu , Zijie Li , Amir Barati Farimani

With several advantages and as an alternative to predict physics field, machine learning methods can be classified into two distinct types: data-driven relying on training data and physics-driven using physics law. Choosing heat conduction…

Computational Physics · Physics 2020-05-19 Hao Ma , Xiangyu Hu , Yuxuan Zhang , Nils Thuerey , Oskar J. Haidn

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

Accurate prediction of hypersonic flow fields over a compression ramp is critical for aerodynamic design but remains challenging due to the scarcity of experimental measurements such as velocity. This study systematically develops a data…

Fluid Dynamics · Physics 2025-11-26 Yuan Jia , Guoqin Zhao , Hao Ma , Xin Li , Chi Zhang , Chih-Yung Wen

To achieve virtual certification for industrial design, quantifying the uncertainties in simulation-driven processes is crucial. We discuss a physics-constrained approach to account for epistemic uncertainty of turbulence models. In order…

Machine Learning · Computer Science 2023-07-12 Marcel Matha , Christian Morsbach

We present a unified probabilistic gradient boosting framework for regression tasks that models and predicts the entire conditional distribution of a univariate response variable as a function of covariates. Our likelihood-based approach…

Machine Learning · Statistics 2022-04-05 Alexander März , Thomas Kneib

Predicting future states in uncertain environments, such as wildfire spread, medical diagnosis, or autonomous driving, requires models that can consider multiple plausible outcomes. While diffusion models can effectively learn such…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Sebastian Gerard , Josephine Sullivan

The Reynolds-averaged Navier-Stokes (RANS) equations provide a computationally efficient method for solving fluid flow problems in engineering applications. However, the use of closure models to represent turbulence effects can reduce their…

Fluid Dynamics · Physics 2024-05-02 Oliver Brenner , Justin Plogmann , Pasha Piroozmand , Patrick Jenny

There have been many recent developments in the use of Deep Learning Neural Networks for fire detection. In this paper, we explore an early warning system for detection of forest fires. Due to the lack of sizeable datasets and models tuned…

Computer Vision and Pattern Recognition · Computer Science 2025-11-26 Sharjeel Ahmed , Daim Armaghan , Fatima Naweed , Umair Yousaf , Ahmad Zubair , Murtaza Taj

A central challenge in quantum information science and technology is achieving real-time estimation and feedforward control of quantum systems. This challenge is compounded by the inherent inhomogeneity of quantum resources, such as qubit…

Machine Learning · Computer Science 2024-05-28 Linsen Li , Pratyush Anand , Kaiming He , Dirk Englund

Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…

Machine Learning · Computer Science 2021-09-21 Alban Odot , Ryadh Haferssas , Stéphane Cotin

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker-Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source.…

Numerical Analysis · Mathematics 2024-03-22 Johann Rudi , Max Heldman , Emil M. Constantinescu , Qi Tang , Xian-Zhu Tang

Because most natural phenomena exhibit dependence at multiple scales like locations of earthquakes or forest fire occurrences, spatio-temporal single-scale point process models are unrealistic in many applications. This motivates us to…

Applications · Statistics 2020-12-18 Morteza Raeisi , Florent Bonneu , Edith Gabriel

Most machine learning methods assume that the input data distribution is the same in the training and testing phases. However, in practice, this stationarity is usually not met and the distribution of inputs differs, leading to unexpected…

Machine Learning · Computer Science 2023-04-19 Firas Bayram , Bestoun S. Ahmed

The complexity of combustion simulations demands the latest high-performance computing tools to accelerate its time-to-solution results. A current trend on HPC systems is the utilization of CPUs with SIMD or vector extensions to exploit…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-24 Fabio Banchelli , Guillermo Oyarzun , Marta Garcia-Gasulla , Filippo Mantovani , Ambrus Both , Guillaume Houzeaux , Daniel Mira

Three-dimensional CP-DNS of reacting iron particle dust clouds in a turbulent mixing layer are conducted. The simulation approach considers the Eulerian transport equations for the reacting gas phase and resolves all scales of turbulence,…

As machine learning models are increasingly deployed in sensitive application areas, the demand for interpretable and trustworthy decision-making has increased. Random Forests (RF), despite their widespread use and strong performance on…