English
Related papers

Related papers: Microstructure-sensitive uncertainty quantificatio…

200 papers

We describe a computational framework linking Uncertainty Quantification (UQ) methods for continuum problems depending on random parameters with Equation-Free (EF) methods for performing continuum deterministic numerics by acting directly…

Dynamical Systems · Mathematics 2007-05-23 Yu Zou , Ioannis G. Kevrekidis

Computational cardiac modelling is a mature area of biomedical computing, and is currently evolving from a pure research tool to aiding in clinical decision making. Assessing the reliability of computational model predictions is a key…

Computational Physics · Physics 2018-01-10 Rocío Rodríguez-Cantano , Joakim Sundnes , Marie E. Rognes

Uncertainty quantification (UQ) in mathematical models is essential for accurately predicting system behavior under variability. This study provides guidance on method selection for reliable UQ across varied functional behaviors in…

Numerical Analysis · Mathematics 2025-01-17 Alina Chertock , Arsen S. Iskhakov , Anna Iskhakova , Alexander Kurganov

ICME approaches provide decision support for materials design by establishing quantitative process-structure-property relations. Confidence in the decision support, however, must be achieved by establishing uncertainty bounds in ICME model…

Uncertainty Quantification (UQ) is essential in probabilistic machine learning models, particularly for assessing the reliability of predictions. In this paper, we present a systematic framework for estimating both epistemic and aleatoric…

Machine Learning · Statistics 2025-09-11 Marzieh Ajirak , Anand Ravishankar , Petar M. Djuric

The temperature developed in bondwires of integrated circuits (ICs) is a possible source of malfunction, and has to be taken into account during the design phase of an IC. Due to manufacturing tolerances, a bondwire's geometrical…

Computational Engineering, Finance, and Science · Computer Science 2019-06-26 D. Loukrezis , U. Römer , T. Casper , S. Schöps , H. De Gersem

In this paper, we propose an implicit staggered algorithm for crystal plasticity finite element method (CPFEM) which makes use of dynamic relaxation at the constitutive integration level. An uncoupled version of the constitutive system…

Numerical Analysis · Mathematics 2024-06-27 Pedro Areias , Charles dos Santos , Rui Melicio , Nuno Silvestre

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be…

Machine Learning · Computer Science 2024-05-15 Longze Li , Jiang Chang , Aleksandar Vakanski , Yachun Wang , Tiankai Yao , Min Xian

Turbulent flows play an important role in many scientific and technological design problems. Both Sub-Grid Scale (SGS) models in Large Eddy Simulations (LES) and Reynolds Averaged Navier Stokes (RANS) based modeling will require turbulence…

Fluid Dynamics · Physics 2024-07-16 Minghan Chu

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Crystal plasticity finite element model (CPFEM) is a powerful numerical simulation in the integrated computational materials engineering (ICME) toolboxes that relates microstructures to homogenized materials properties and establishes the…

Materials Science · Physics 2023-04-17 Anh Tran , Hojun Lim

The present report describes a big data numerical study of crystal plasticity finite element (CPFE) modelling using static and grain-based meshing to investigate the dependence of the results on the discretization approach. Static mesh…

Materials Science · Physics 2023-02-01 Jingwei Chen , Zifan Wang , Alexander M. Korsunsky

In this paper, we study the stochastic collocation (SC) methods for uncertainty quantification (UQ) in hyperbolic systems of nonlinear partial differential equations (PDEs). In these methods, the underlying PDEs are numerically solved at a…

Numerical Analysis · Mathematics 2025-06-19 Alina Chertock , Arsen S. Iskhakov , Safa Janajra , Alexander Kurganov

It is necessary to estimate the expected energy usage of a building to determine how to reduce energy usage. The expected energy usage of a building can be reliably simulated using a Building Energy Model (BEM). Many of the numerous input…

Computational Engineering, Finance, and Science · Computer Science 2020-04-21 Arpan Mukherjee , Anna Kuechle Szweda , Andrew Alegria , Rahul Rai , Tarunraj Singh

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on…

Predicting microporosity and permeability in clastic reservoirs is a challenge in reservoir quality assessment, especially in formations where direct measurements are difficult or expensive. These reservoir properties are fundamental in…

Geophysics · Physics 2025-03-24 Muhammad Risha , Mohamed Elsaadany , Paul Liu

Deep learning models for semantic segmentation are prone to poor performance in real-world applications due to the highly challenging nature of the task. Model uncertainty quantification (UQ) is one way to address this issue of lack of…

Computer Vision and Pattern Recognition · Computer Science 2022-11-04 Rishabh Singh , Jose C. Principe

Parameter identification is crucial in virtual engineering processes, yet determining appropriate system excitations for identifying specific parameters remains challenging. In practice, extensive experimental programs often fail to…

Optimization and Control · Mathematics 2026-05-07 Kevin Schmidt , Nicola Henkelmann , Christoph Mark , Johannes von Keler

In this paper we propose a numerical procedure for the quantification of uncertainties in wave-structure interaction. We utilise the smoothed particle hydrodynamics (SPH) scheme for modelling the wave mechanics, coupled one-way with a…

Numerical Analysis · Mathematics 2024-08-22 Xiaoyuan Luo , Vijay Nandurdikar , Sangri-Yi , Alistair Revell , Georgios Fourtakas , Ajay B. Harish

Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they are employed to model interatomic potentials in materials…

Machine Learning · Computer Science 2023-12-27 Aik Rui Tan , Shingo Urata , Samuel Goldman , Johannes C. B. Dietschreit , Rafael Gómez-Bombarelli