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While significant progress has been made in specifying neural networks capable of representing uncertainty, deep networks still often suffer from overconfidence and misaligned predictive distributions. Existing approaches for measuring this…

Machine Learning · Computer Science 2025-10-24 Spencer Young , Riley Sinema , Cole Edgren , Andrew Hall , Nathan Dong , Porter Jenkins

With more and more data being collected, data-driven modeling methods have been gaining in popularity in recent years. While physically sound, classical gray-box models are often cumbersome to identify and scale, and their accuracy might be…

Machine Learning · Computer Science 2023-04-05 Loris Di Natale , Bratislav Svetozarevic , Philipp Heer , Colin Neil Jones

This article is devoted to providing a review of mathematical formulations in which Polynomial Chaos Theory (PCT) has been incorporated into stochastic model predictive control (SMPC). In the past decade, PCT has been shown to provide a…

Systems and Control · Electrical Eng. & Systems 2024-06-18 Prabhat K. Mishra , Joel A. Paulson , Richard D. Braatz

This article considers the $\mathcal{H}_\infty$ static output-feedback control for linear time-invariant uncertain systems with polynomial dependence on probabilistic time-invariant parametric uncertainties. By applying polynomial chaos…

Systems and Control · Electrical Eng. & Systems 2021-03-02 Yiming Wan , Dongying E. Shen , Sergio Lucia , Rolf Findeisen , Richard D. Braatz

Constructing approximations that can accurately mimic the behavior of complex models at reduced computational costs is an important aspect of uncertainty quantification. Despite their flexibility and efficiency, classical surrogate models…

Computation · Statistics 2020-06-29 S. Marelli , P. -R. Wagner , C. Lataniotis , B. Sudret

Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Machine Learning · Computer Science 2025-08-06 Paz Fink Shustin , Shashanka Ubaru , Małgorzata J. Zimoń , Songtao Lu , Vasileios Kalantzis , Lior Horesh , Haim Avron

This work suggests an interpolation-based stochastic collocation method for the non-intrusive and adaptive construction of sparse polynomial chaos expansions (PCEs). Unlike pseudo-spectral projection and regression-based stochastic…

Numerical Analysis · Mathematics 2019-11-21 Dimitrios Loukrezis , Herbert De Gersem

Probabilistic Circuits (PCs) are a promising avenue for probabilistic modeling. They combine advantages of probabilistic graphical models (PGMs) with those of neural networks (NNs). Crucially, however, they are tractable probabilistic…

Machine Learning · Computer Science 2021-06-07 Anji Liu , Guy Van den Broeck

We present Causal Posterior Estimation (CPE), a novel method for Bayesian inference in simulator models, i.e., models where the evaluation of the likelihood function is intractable or too computationally expensive, but where one can…

Machine Learning · Computer Science 2025-05-28 Simon Dirmeier , Antonietta Mira

Physics-informed neural networks (PINNs) have recently emerged as an alternative way of solving partial differential equations (PDEs) without the need of building elaborate grids, instead, using a straightforward implementation. In…

Analysis of PDEs · Mathematics 2019-09-04 Dongkun Zhang , Lu Lu , Ling Guo , George Em Karniadakis

Effective properties of composite materials are defined as the ensemble average of property-specific PDE solutions over the underlying microstructure distributions. Traditionally, predicting such properties can be done by solving PDEs…

Machine Learning · Computer Science 2025-08-26 Guangyu Nie , Yang Jiao , Yi Ren

Probabilistic encoding introduces Gaussian noise into neural networks, enabling a smooth transition from deterministic to uncertain states and enhancing generalization ability. However, the randomness of Gaussian noise distorts point-based…

Machine Learning · Computer Science 2025-07-24 Pengjiu Xia , Yidian Huang , Wenchao Wei , Yuwen Tan

Sparse principal component analysis (PCA) is a well-established dimensionality reduction technique that is often used for unsupervised feature selection (UFS). However, determining the regularization parameters is rather challenging, and…

Machine Learning · Computer Science 2025-04-07 Long Chen , Xianchao Xiu

Gradient-enhanced Uncertainty Quantification (UQ) has received recent attention, in which the derivatives of a Quantity of Interest (QoI) with respect to the uncertain parameters are utilized to improve the surrogate approximation.…

Computation · Statistics 2016-03-23 Ji Peng , Jerrad Hampton , Alireza Doostan

Polynomial Chaos Expansions represent a powerful tool to simulate stochastic models of dynamical systems. Yet, deriving the expansion's coefficients for complex systems might require a significant and non-trivial manipulation of the model,…

Computation · Statistics 2012-11-13 Lorenzo Fagiano , Mustafa Khammash

Ensemble learning has gain attention in resent deep learning research as a way to further boost the accuracy and generalizability of deep neural network (DNN) models. Recent ensemble training method explores different training algorithms or…

Machine Learning · Computer Science 2023-01-20 Jingchi Zhang , Huanrui Yang , Hai Li

Deep learning has been the engine powering many successes of data science. However, the deep neural network (DNN), as the basic model of deep learning, is often excessively over-parameterized, causing many difficulties in training,…

Machine Learning · Statistics 2021-03-09 Yan Sun , Qifan Song , Faming Liang

Establishing associations between the structure and the generalisation ability of deep neural networks (DNNs) is a challenging task in modern machine learning. Producing solutions to this challenge will bring progress both in the…

Machine Learning · Computer Science 2020-05-01 Mehmet Süzen , J. J. Cerdà , Cornelius Weber

Bayesian Neural Networks (BNNs) offer a principled and natural framework for proper uncertainty quantification in the context of deep learning. They address the typical challenges associated with conventional deep learning methods, such as…

Computation · Statistics 2024-11-13 Zahra Moslemi , Yang Meng , Shiwei Lan , Babak Shahbaba

This paper presents a detailed comparison between 3 methods for emulating CPU-intensive reactive transport models (RTMs): Gaussian processes (GPs), polynomial chaos expansion (PCE) and deep neural networks (DNNs). Besides direct emulation…

Computational Physics · Physics 2019-07-02 Eric Laloy , Diederik Jacques
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