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Equivariant models leverage prior knowledge on symmetries to improve predictive performance, but misspecified architectural constraints can harm it instead. While work has explored learning or relaxing constraints, selecting among…

Machine Learning · Computer Science 2025-07-16 Putri A. van der Linden , Alexander Timans , Dharmesh Tailor , Erik J. Bekkers

Recent advances in computing power and the potential to make more realistic assumptions due to increased flexibility have led to the increased prevalence of simulation models in economics. While models of this class, and particularly…

General Economics · Economics 2019-06-12 Donovan Platt

Computer vision leveraging deep learning has achieved significant success in the last decade. Despite the promising performance of the existing deep models in the recent literature, the extent of models' reliability remains unknown.…

Computer Vision and Pattern Recognition · Computer Science 2020-04-13 Seyed Omid Sajedi , Xiao Liang

Bayesian calibration of black-box computer models offers an established framework to obtain a posterior distribution over model parameters. Traditional Bayesian calibration involves the emulation of the computer model and an additive model…

Machine Learning · Statistics 2018-10-30 Sébastien Marmin , Maurizio Filippone

In the field of modeling, the word validation refers to simple comparisons between model outputs and experimental data. Usually, this comparison constitutes plotting the model results against data on the same axes to provide a visual…

Applications · Statistics 2021-06-11 Farid Mohammadi

Developing reliable interatomic potential models with quantified predictive accuracy is crucial for atomistic simulations. Commonly used potentials, such as those constructed through the embedded atom method (EAM), are derived from…

Materials Science · Physics 2022-08-05 Arun Hegde , Elan Weiss , Wolfgang Windl , Habib N. Najm , Cosmin Safta

This paper discusses regularized estimators in the multivariate statistical model as tools naturally arising within a Bayesian framework. First, a link is established between Bayesian estimation and inference under parameter rounding…

Methodology · Statistics 2025-09-15 Jan Kalina

Neural additive model (NAM) is a recently proposed explainable artificial intelligence (XAI) method that utilizes neural network-based architectures. Given the advantages of neural networks, NAMs provide intuitive explanations for their…

Machine Learning · Computer Science 2024-11-12 Hoki Kim , Jinseong Park , Yujin Choi , Seungyun Lee , Jaewook Lee

Model predictive control is an advanced control approach for multivariable systems with constraints, which is reliant on an accurate dynamic model. Most real dynamic models are however affected by uncertainties, which can lead to…

Optimization and Control · Mathematics 2021-03-10 E. Bradford , L. Imsland

Model uncertainties and simulation uncertainties occur in mathematical modeling of multiscale complex systems, since some mechanisms or scales are not represented (i.e., "unresolved") due to lack in our understanding of these mechanisms or…

Dynamical Systems · Mathematics 2008-11-25 Jinqiao Duan

There are many practical difficulties in the calibration of computer models to experimental data. One such complication is the fact that certain combinations of the calibration inputs can cause the code to output data lacking fundamental…

Methodology · Statistics 2020-06-16 Peter W. Marcy , Curtis B. Storlie

Inverse problems and, in particular, inferring unknown or latent parameters from data are ubiquitous in engineering simulations. A predominant viewpoint in identifying unknown parameters is Bayesian inference where both prior information…

Computation · Statistics 2022-08-31 Vahid Keshavarzzadeh , Robert M. Kirby , Akil Narayan

When the cost of misclassifying a sample is high, it is useful to have an accurate estimate of uncertainty in the prediction for that sample. There are also multiple types of uncertainty which are best estimated in different ways, for…

Machine Learning · Computer Science 2019-03-18 Richard Harang , Ethan M. Rudd

An understanding of how input parameter uncertainty in the numerical simulation of physical models leads to simulation output uncertainty is a challenging task. Common methods for quantifying output uncertainty, such as performing a grid or…

Materials Science · Physics 2023-09-25 Samuel G. McCallum , James E. Lerpiniére , Kjeld O. Jensen , Alison B. Walker

Concept bottleneck model (CBM) is a ubiquitous method that can interpret neural networks using concepts. In CBM, concepts are inserted between the output layer and the last intermediate layer as observable values. This helps in…

Machine Learning · Statistics 2023-03-17 Naoki Hayashi , Yoshihide Sawada

Engineers are often faced with the decision to select the most appropriate model for simulating the behavior of engineered systems, among a candidate set of models. Experimental monitoring data can generate significant value by supporting…

Applications · Statistics 2023-10-17 Antonios Kamariotis , Eleni Chatzi

Identifying damage of structural systems is typically characterized as an inverse problem which might be ill-conditioned due to aleatory and epistemic uncertainties induced by measurement noise and modeling error. Sparse representation can…

Applications · Statistics 2020-06-09 Zhao Chen , Hao Sun

This paper deals with the applications of stochastic spectral methods for structural topology optimization in the presence of uncertainties. A non-intrusive polynomial chaos expansion is integrated into a topology optimization algorithm to…

Computational Engineering, Finance, and Science · Computer Science 2021-08-04 Nilton Cuellar , Anderson Pereira , Ivan F. M. Menezes , Americo Cunha

The forward problems of pattern formation have been greatly empowered by extensive theoretical studies and simulations, however, the inverse problem is less well understood. It remains unclear how accurately one can use images of pattern…

Computational Physics · Physics 2021-04-07 Hongbo Zhao , Richard D. Braatz , Martin Z. Bazant

A Bayesian treatment of deep learning allows for the computation of uncertainties associated with the predictions of deep neural networks. We show how the concept of Errors-in-Variables can be used in Bayesian deep regression to also…

Machine Learning · Computer Science 2023-05-15 Jörg Martin , Clemens Elster