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We present a novel approach which aims at high-performance uncertainty quantification for cardiac electrophysiology simulations. Employing the monodomain equation to model the transmembrane potential inside the cardiac cells, we evaluate…

Numerical Analysis · Mathematics 2021-05-06 Seif Ben Bader , Helmut Harbrecht , Rolf Krause , Michael Multerer , Alessio Quaglino , Marc Schmidlin

Engineering problems are often characterized by significant uncertainty in their material parameters. A typical example coming from geotechnical engineering is the slope stability problem where the soil's cohesion is modeled as a random…

Numerical Analysis · Mathematics 2021-09-30 Philippe Blondeel , Pieterjan Robbe , Stijn François , Geert Lombaert , Stefan Vandewalle

The efficient approximation of quantity of interest derived from PDEs with lognormal diffusivity is a central challenge in uncertainty quantification. In this study, we propose a multilevel quasi-Monte Carlo framework to approximate…

Numerical Analysis · Mathematics 2025-08-06 Joakim Beck , Yang Liu , Erik von Schwerin , Raúl Tempone

Uncertainty quantification (UQ) methods for Large Language Models (LLMs) encompass a variety of approaches, with two major types being particularly prominent: information-based, which focus on model confidence expressed as token…

Computation and Language · Computer Science 2025-12-10 Roman Vashurin , Maiya Goloburda , Albina Ilina , Aleksandr Rubashevskii , Preslav Nakov , Artem Shelmanov , Maxim Panov

A central challenge in scientific machine learning (ML) is the correct representation of physical systems governed by multi-regime behaviours. In these scenarios, standard data analysis techniques often fail to capture the nature of the…

Machine Learning · Computer Science 2026-02-26 Michele Cazzola , Alberto Ghione , Lucia Sargentini , Julien Nespoulous , Riccardo Finotello

Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…

Materials Science · Physics 2023-06-13 Ashwini Gupta , Anindya Bhaduri , Lori Graham-Brady

Markov chain Monte Carlo (MCMC) is an established approach for uncertainty quantification and propagation in scientific applications. A key challenge in applying MCMC to scientific domains is computation: the target density of interest is…

Machine Learning · Statistics 2022-10-05 Diana Cai , Ryan P. Adams

In this paper, we construct a combined multiscale finite element method (MsFEM) using the Local Orthogonal Decomposition (LOD) technique to solve the multiscale problems which may have singularities in some special portions of the…

Numerical Analysis · Mathematics 2022-09-14 Kuokuo Zhang , Weibing Deng , Haijun Wu

Large molecular representation models pre-trained on massive unlabeled data have shown great success in predicting molecular properties. However, these models may tend to overfit the fine-tuning data, resulting in over-confident predictions…

Chemical Physics · Physics 2024-04-18 Yinghao Li , Lingkai Kong , Yuanqi Du , Yue Yu , Yuchen Zhuang , Wenhao Mu , Chao Zhang

Airfoil icing is a severe safety hazard in aviation and causes power losses on wind turbines. The precise shape of the ice formation is subject to large uncertainties, so uncertainty quantification (UQ) is needed for a reliable prediction…

Fluid Dynamics · Physics 2023-07-21 Jakob Dürrwächter , Andrea Beck , Claus-Dieter Munz

This paper addresses the efficient solution of linear systems arising from curl-conforming finite element discretizations of $H(\mathrm{curl})$ elliptic problems with heterogeneous coefficients. We first employ the discrete form of a…

Numerical Analysis · Mathematics 2025-06-10 Chupeng Ma , Yongwei Zhang

In this paper, we provide an analysis of a recently proposed multicontinuum homogenization technique. The analysis differs from those used in classical homogenization methods for several reasons. First, the cell problems in multicontinuum…

Numerical Analysis · Mathematics 2025-04-23 Wing Tat Leung

Deploying deep learning models in safety-critical applications remains a very challenging task, mandating the provision of assurances for the dependable operation of these models. Uncertainty quantification (UQ) methods estimate the model's…

Machine Learning · Computer Science 2024-01-23 Daniel Bethell , Simos Gerasimou , Radu Calinescu

We design a finite element method (FEM) for a membrane model of liquid crystal polymer networks (LCNs). This model consists of a minimization problem of a non-convex stretching energy. We discuss properties of this energy functional such as…

Numerical Analysis · Mathematics 2023-07-26 Lucas Bouck , Ricardo H. Nochetto , Shuo Yang

The recent progress of using graph based encoding of crystal structures for high throughput material property prediction has been quite successful. However, using a single modality model prevents us from exploiting the advantages of an…

Machine Learning · Computer Science 2025-05-09 Abhiroop Bhattacharya , Sylvain G. Cloutier

Machine learning interatomic potentials (MLIPs) enable accurate atomistic modelling, but reliable uncertainty quantification (UQ) remains elusive. In this study, we investigate two UQ strategies, ensemble learning and D-optimality, within…

Materials Science · Physics 2025-08-06 Fei Shuang , Zixiong Wei , Kai Liu , Wei Gao , Poulumi Dey

In this paper, a validation and uncertainty quantification (VUQ) framework for the Eulerian-Eulerian two-fluid-model based multiphase-computational fluid dynamics solver (MCFD) is formulated. The framework aims to answer the question: how…

Fluid Dynamics · Physics 2018-10-23 Yang Liu , Nam Dinh , Ralph Smith

The crystal plasticity finite element method (CPFEM) is used to investigate the coupling between the cylindrical void growth or collapse and grain refinement in face-centered cubic (FCC) single crystals. A 2D plane strain model with one…

Materials Science · Physics 2023-07-06 Saketh Virupakshi , Katarzyna Kowalczyk-Gajewska

We propose a novel $hp$-multilevel Monte Carlo method for the quantification of uncertainties in the compressible Navier-Stokes equations, using the Discontinuous Galerkin method as deterministic solver. The multilevel approach exploits…

Numerical Analysis · Mathematics 2020-08-25 A. Beck , J. Dürrwächter , T. Kuhn , F. Meyer , C. -D. Munz , C. Rohde

We study statistical model checking of continuous-time stochastic hybrid systems. The challenge in applying statistical model checking to these systems is that one cannot simulate such systems exactly. We employ the multilevel Monte Carlo…

Systems and Control · Computer Science 2017-06-27 Sadegh Esmaeil Zadeh Soudjani , Rupak Majumdar , Tigran Nagapetyan