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We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

Machine Learning · Statistics 2022-01-20 Akshay Thakur , Souvik Chakraborty

Many imaging problems require computing spatial transformations induced by spatially varying intensity, feature, or density fields. Canonical examples include distortion correction, deformable image registration, atlas-based segmentation,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Yanwen Huang , Lok Ming Lui , Gary P. T. Choi

The high dimensionality of kinetic equations with stochastic parameters poses major computational challenges for uncertainty quantification (UQ). Traditional Monte Carlo (MC) sampling methods, while widely used, suffer from slow convergence…

Numerical Analysis · Mathematics 2025-06-13 Wei Chen , Giacomo Dimarco , Lorenzo Pareschi

This study investigates whether Physically Recurrent Neural Networks (PRNNs), a recent surrogate model for heterogeneous materials, trained on a micromodel with fixed material parameters, can maintain accuracy for varying material…

Disordered Systems and Neural Networks · Physics 2025-04-17 N. Kovács , I. B. C. M. Rocha , F. P. van der Meer , C. Furtado , P. P. Camanho

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

This paper presents a neural network--enhanced surrogate modeling approach for diffusion problems with spatially varying random field coefficients. The method builds on numerical homogenization, which compresses fine-scale coefficients into…

Numerical Analysis · Mathematics 2025-09-17 Fabian Kröpfl , Daniel Peterseim , Elisabeth Ullmann

We prove error bounds for operator surrogates of solution operators for partial differential and boundary integral equations on families of domains which are diffeomorphic to one common reference (or latent) domain $D_{ref}$. The pullback…

Machine Learning · Computer Science 2026-04-21 Helmut Harbrecht , Christoph Schwab

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

Neural operators (NOs) provide fast, resolution-invariant surrogates for mapping input fields to PDE solution fields, but their predictions can exhibit significant epistemic uncertainty due to finite data, imperfect optimization, and…

Machine Learning · Computer Science 2026-03-13 Haoze Song , Zhihao Li , Mengyi Deng , Xin Li , Duyi Pan , Zhilu Lai , Wei Wang

This paper introduces a novel surrogate modeling framework for aerodynamic applications based on Neural Fields. The proposed approach, MARIO (Modulated Aerodynamic Resolution Invariant Operator), addresses non parametric geometric…

Hyperbolic conservation laws govern a wide range of transport-driven dynamics featuring shocks, contact discontinuities, and complex wave interactions, posing distinct challenges for deep-learning-based surrogate modeling. While classical…

Computational Physics · Physics 2026-04-20 Jiamin Jiang , Shanglin Lv , Jingrun Chen

Surrogate models for the rapid inference of nonlinear boundary value problems in mechanics are helpful in a broad range of engineering applications. However, effective surrogate modeling of applications involving the contact of deformable…

Computational Engineering, Finance, and Science · Computer Science 2025-07-21 Vijay K. Dubey , Collin E. Haese , Osman Gültekin , David Dalton , Manuel K. Rausch , Jan N. Fuhg

State-of-the-art computer codes for simulating real physical systems are often characterized by a vast number of input parameters. Performing uncertainty quantification (UQ) tasks with Monte Carlo (MC) methods is almost always infeasible…

Computational Physics · Physics 2018-10-17 Rohit Tripathy , Ilias Bilionis

Despite their impressive performance, contemporary neural networks often lack structural safeguards that promote stable learning and interpretable behavior. In this work, we introduce a reformulation of layer-level transformations that…

Machine Learning · Computer Science 2025-08-04 Saleh Nikooroo , Thomas Engel

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

Neural networks have promise as surrogate partial differential equation (PDE) solvers, but it remains a challenge to use these concepts to solve problems with high accuracy and scalability. In this work, we show that neural network…

Computational Physics · Physics 2025-09-05 Chenkai Mao , Jonathan A. Fan

In engineering, uncertainty propagation aims to characterise system outputs under uncertain inputs. For interval uncertainty, the goal is to determine output bounds given interval-valued inputs, which is critical for robust design…

Machine Learning · Computer Science 2026-03-24 Ghifari Adam Faza , Jolan Wauters , Fabio Cuzzolin , Hans Hallez , David Moens

The recurrent geometric network (RGN), the first end-to-end differentiable neural architecture for protein structure prediction, is a competitive alternative to existing models. However, the RGN's use of recurrent neural networks (RNNs) as…

Biomolecules · Quantitative Biology 2019-08-05 Jin Li

Neural surrogates for molecular scattering provide a route to continuously evaluable and differentiable direct simulation Monte Carlo (DSMC) collision kernels, but a small pointwise deflection-angle error is not sufficient evidence that a…

Chemical Physics · Physics 2026-05-26 Ehsan Roohi
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