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Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures…

This paper considers the creation of parametric surrogate models for applications in science and engineering where the goal is to predict high-dimensional spatiotemporal output quantities of interest, such as pressure, temperature and…

计算物理 · 物理学 2022-03-24 Chi Hoang , Kenny Chowdhary , Kookjin Lee , Jaideep Ray

With increasing computational demand, Neural-Network (NN) based models are being developed as pre-trained surrogates for different thermohydraulics phenomena. An area where this approach has shown promise is in developing higher-fidelity…

流体动力学 · 物理学 2024-12-13 Cody Grogan , Som Dutta , Mauricio Tano , Somayajulu L. N. Dhulipala , Izabela Gutowska

Deep generative models have been accelerating the inverse design process in material and drug design. Unlike their counterpart property predictors in typical molecular design frameworks, generative molecular design models have seen fewer…

机器学习 · 计算机科学 2024-11-06 A N M Nafiz Abeer , Sanket Jantre , Nathan M Urban , Byung-Jun Yoon

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior…

机器学习 · 统计学 2022-10-24 Jeahan Jung , Minseok Choi

Polynomial chaos expansions (PCE) allow us to propagate uncertainties in the coefficients of differential equations to the statistics of their solutions. Their main advantage is that they replace stochastic equations by systems of…

数值分析 · 数学 2016-04-25 H. Cagan Ozen , Guillaume Bal

Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…

信号处理 · 电气工程与系统科学 2025-12-03 Huian Yang , Rajeev Sahay

The numerical solution of high dimensional partial differential equations (PDEs) is severely constrained by the curse of dimensionality (CoD), rendering classical grid--based methods impractical beyond a few dimensions. In recent years,…

数值分析 · 数学 2026-01-27 Wenzhong Zhang , Zheyuan Hu , Wei Cai , George EM Karniadakis

Modern day engineering problems are ubiquitously characterized by sophisticated computer codes that map parameters or inputs to an underlying physical process. In other situations, experimental setups are used to model the physical process…

机器学习 · 统计学 2021-07-02 Raphael Gautier , Piyush Pandita , Sayan Ghosh , Dimitri Mavris

In recent years, deep learning has proven to be a viable methodology for surrogate modeling and uncertainty quantification for a vast number of physical systems. However, in their traditional form, such models can require a large amount of…

计算物理 · 物理学 2019-12-04 Nicholas Geneva , Nicholas Zabaras

Inverse uncertainty quantification (UQ) tasks such as parameter estimation are computationally demanding whenever dealing with physics-based models, and typically require repeated evaluations of complex numerical solvers. When partial…

机器学习 · 计算机科学 2025-12-19 Filippo Zacchei , Paolo Conti , Attilio Alberto Frangi , Andrea Manzoni

Semi-supervised learning has emerged as an appealing strategy to train deep models with limited supervision. Most prior literature under this learning paradigm resorts to dual-based architectures, typically composed of a teacher-student…

计算机视觉与模式识别 · 计算机科学 2022-03-08 Martin Van Waerebeke , Gregory Lodygensky , Jose Dolz

We propose new machine learning schemes for solving high dimensional nonlinear partial differential equations (PDEs). Relying on the classical backward stochastic differential equation (BSDE) representation of PDEs, our algorithms estimate…

概率论 · 数学 2020-06-08 Côme Huré , Huyên Pham , Xavier Warin

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…

无序系统与神经网络 · 物理学 2025-04-17 N. Kovács , I. B. C. M. Rocha , F. P. van der Meer , C. Furtado , P. P. Camanho

The frequent interactions between quantum computing and machine learning revolutionize both fields. One prototypical achievement is the quantum auto-encoder (QAE), as the leading strategy to relieve the curse of dimensionality ubiquitous in…

量子物理 · 物理学 2024-10-03 Yuxuan Du , Dacheng Tao

The hybrid neural differentiable models mark a significant advancement in the field of scientific machine learning. These models, integrating numerical representations of known physics into deep neural networks, offer enhanced predictive…

机器学习 · 计算机科学 2024-01-02 Deepak Akhare , Tengfei Luo , Jian-Xun Wang

We introduce a parameterization method called Neural Bayes which allows computing statistical quantities that are in general difficult to compute and opens avenues for formulating new objectives for unsupervised representation learning.…

机器学习 · 统计学 2020-02-24 Devansh Arpit , Huan Wang , Caiming Xiong , Richard Socher , Yoshua Bengio

Partial differential equations (PDEs) are a central tool for modeling the dynamics of physical, engineering, and materials systems, but high-fidelity simulations are often computationally expensive. At the same time, many scientific…

机器学习 · 计算机科学 2026-01-14 Binh Duong Nguyen , Stefan Sandfeld

Solving time-dependent Partial Differential Equations (PDEs) using a densely discretized spatial domain is a fundamental problem in various scientific and engineering disciplines, including modeling climate phenomena and fluid dynamics.…

机器学习 · 计算机科学 2025-10-24 Jan Hagnberger , Daniel Musekamp , Mathias Niepert

Uncertainty quantification is essential for robotic perception, as overconfident or point estimators can lead to collisions and damages to the environment and the robot. In this paper, we evaluate scalable approaches to uncertainty…

计算机视觉与模式识别 · 计算机科学 2021-12-16 Javier Rodríguez-Puigvert , Rubén Martínez-Cantín , Javier Civera