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We introduce a physics-informed Bayesian Neural Network (BNN) with flow approximated posteriors using multiplicative normalizing flows (MNF) for detailed uncertainty quantification (UQ) at the physics event-level. Our method is capable of…

Machine Learning · Computer Science 2023-10-05 Cristiano Fanelli , James Giroux

Uncertainty quantification (UQ) in computational chemistry (CC) is still in its infancy. Very few CC methods are designed to provide a confidence level on their predictions, and most users still rely improperly on the mean absolute error as…

Chemical Physics · Physics 2022-03-21 Pascal Pernot

We use Gaussian stochastic weight averaging (SWAG) to assess the model-form uncertainty associated with neural-network-based function approximation relevant to fluid flows. SWAG approximates a posterior Gaussian distribution of each weight,…

Fluid Dynamics · Physics 2022-08-17 Masaki Morimoto , Kai Fukami , Romit Maulik , Ricardo Vinuesa , Koji Fukagata

This paper introduces a new approach to quantify the impact of forward propagated demand and weather uncertainty on power system planning and operation models. Recent studies indicate that such sampling uncertainty, originating from demand…

Applications · Statistics 2020-11-17 Adriaan P Hilbers , David J Brayshaw , Axel Gandy

Heat transfer involving phase change is computationally intensive due to moving phase boundaries, nonlinear computations, and time step restrictions. This paper presents a quantum lattice Boltzmann method (QLBM) for simulating heat transfer…

Quantum Physics · Physics 2025-09-29 Christopher L. Jawetz , Zhixin Song , Spencer H. Bryngelson , Alexander Alexeev

Safe deployment of graph neural networks (GNNs) under distribution shift requires models to provide accurate confidence indicators (CI). However, while it is well-known in computer vision that CI quality diminishes under distribution shift,…

Machine Learning · Computer Science 2023-09-21 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

A comprehensive characterization of lattice Boltzmann (LB) schemes to perform warm fluid numerical simulations of particle wakefield acceleration (PWFA) processes is discussed in this paper. The LB schemes we develop hinge on the moment…

A detailed analysis is presented to demonstrate the capabilities of the lattice Boltzmann method. Thorough comparisons with other numerical solutions for the two-dimensional, driven cavity flow show that the lattice Boltzmann method gives…

comp-gas · Physics 2009-10-22 Shuling Hou , Qisu Zou , Shiyi Chen , Gary D. Doolen , Allen C. Cogley

We present a new formulation of the central moment lattice Boltzmann (LB) method based on a continuous Fokker-Planck (FP) kinetic model, originally proposed for stochastic diffusive-drift processes (e.g., Brownian dynamics), by adapting it…

Fluid Dynamics · Physics 2024-10-15 William Schupbach , Kannan Premnath

A novel single MRT-featured lattice Boltzmann method (SmrtLBM) is introduced. The intricate algorithm of the multiple-relaxation-time (MRT) collision operator is reimagined and distilled into a streamlined, single-relaxation-time-like…

Computational Physics · Physics 2024-09-04 Jian Guo Zhou

The neural network (NN)-based direct uncertainty quantification (UQ) methods have achieved the state of the art performance since the first inauguration, known as the lower-upper-bound estimation (LUBE) method. However, currently-available…

Machine Learning · Statistics 2024-07-16 H M Dipu Kabir , Abbas Khosravi , Abdollah Kavousi-Fard , Saeid Nahavandi , Dipti Srinivasan

Concept Bottleneck Models (CBMs) provide inherent interpretability by first mapping input samples to high-level semantic concepts, followed by a combination of these concepts for the final classification. However, the annotation of…

Machine Learning · Computer Science 2026-03-02 Yangyi Li , Mengdi Huai

Can we improve the modeling of urban land surface processes with machine learning (ML)? A prior comparison of urban land surface models (ULSMs) found that no single model is 'best' at predicting all common surface fluxes. Here, we develop…

Machine Learning · Computer Science 2022-03-16 David Meyer , Sue Grimmond , Peter Dueben , Robin Hogan , Maarten van Reeuwijk

This study presents a high-order, thread-safe version of the lattice Boltzmann (LBM) method, incorporating an interface-capturing equation, based on the conservative Allen-Cahn equation, to simulate incompressible two-component systems with…

The lattice Boltzmann method (LBM) is routinely employed in the simulation of complex multiphase flows comprising bulk phases separated by non-ideal interfaces. LBM is intrinsically mesoscale with an hydro-dynamic equivalence popularly set…

Computational Physics · Physics 2019-05-24 Daniele Chiappini , Xiao Xue , Mauro Sbragaglia , Giacomo Falcucci

Urban forecasting has increasingly benefited from high-dimensional spatial data through two primary approaches: graph-based methods that rely on predefined spatial structures, and region-based methods that focus on learning expressive urban…

Artificial Intelligence · Computer Science 2025-06-18 Yuhao Jia , Zile Wu , Shengao Yi , Yifei Sun , Xiao Huang

Uncertainty quantification (UQ) has emerged as a promising approach for detecting hallucinations and low-quality output of Large Language Models (LLMs). However, obtaining proper uncertainty scores is complicated by the conditional…

We revisit force evaluation methodologies on rigid solid particles suspended in a viscous fluid and simulated via lattice Boltzmann method (LBM). We point out the non-commutativity of streaming and collision operators in the force…

Fluid Dynamics · Physics 2022-10-20 Shaurya Kaushal , Sauro Succi , Santosh Ansumali

The current work presents a novel COllaborative Open-source Lattice Boltzmann Method framework, so-called CooLBM. The computational framework is developed for the simulation of single and multi-component multi-phase problems, along with a…

Computational Physics · Physics 2025-02-19 R. Alamian , A. K. Nayak , M. S. Shadloo

We propose an innovative difference-free scheme that combines the one-fluid lattice Boltzmann method (lBM) with the conservative phase-field (CPF) lBM to effectively solve large-scale two-phase fluid flow problems. The difference-free…

Fluid Dynamics · Physics 2024-07-18 Chunheng Zhao , Saumil Patel , Taehun Lee
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