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Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a…

机器学习 · 统计学 2025-10-20 Frank Shih , Zhenghao Jiang , Faming Liang

We present a novel uncertainty quantification approach for high-dimensional stochastic partial differential equations that reduces the computational cost of polynomial chaos methods by decomposing the computational domain into…

数值分析 · 数学 2017-09-11 Ramakrishna Tipireddy , Panos Stinis , Alexandre Tartakovsky

Growing uncertainty from renewable energy integration and distributed energy resources motivate the need for advanced tools to quantify the effect of uncertainty and assess the risks it poses to secure system operation. Polynomial chaos…

最优化与控制 · 数学 2019-10-16 David Métivier , Marc Vuffray , Sidhant Misra

This paper presents the development and demonstration of massively parallel probabilistic machine learning (ML) and uncertainty quantification (UQ) capabilities within the Multiphysics Object-Oriented Simulation Environment (MOOSE), an…

To achieve reliable mining results for massive vessel trajectories, one of the most important challenges is how to efficiently compute the similarities between different vessel trajectories. The computation of vessel trajectory similarity…

机器学习 · 计算机科学 2021-06-11 Maohan Liang , Ryan Wen Liu , Shichen Li , Zhe Xiao , Xin Liu , Feng Lu

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data. Most SSL approaches rely on strong, well-established, handcrafted data augmentations to generate diverse views for…

机器学习 · 计算机科学 2026-01-16 Berken Utku Demirel , Christian Holz

The non-intrusive generalized Polynomial Chaos (gPC) method is a popular computational approach for solving partial differential equations (PDEs) with random inputs. The main hurdle preventing its efficient direct application for…

数值分析 · 数学 2016-09-19 Jiahua Jiang , Yanlai Chen , Akil Narayan

Supervised manifold learning methods learn data representations by preserving the geometric structure of data while enhancing the separation between data samples from different classes. In this work, we propose a theoretical study of…

机器学习 · 计算机科学 2018-01-08 Elif Vural , Christine Guillemot

This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…

机器学习 · 计算机科学 2021-10-27 Alexander Henkes , Ismail Caylak , Rolf Mahnken

Deep learning-based object pose estimators are often unreliable and overconfident especially when the input image is outside the training domain, for instance, with sim2real transfer. Efficient and robust uncertainty quantification (UQ) in…

机器人学 · 计算机科学 2021-03-29 Guanya Shi , Yifeng Zhu , Jonathan Tremblay , Stan Birchfield , Fabio Ramos , Animashree Anandkumar , Yuke Zhu

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural…

高能物理 - 实验 · 物理学 2023-11-02 Dae Heun Koh , Aashwin Mishra , Kazuhiro Terao

We consider a multiphysics system with multiple component models coupled together through network coupling interfaces, i.e., a handful of scalars. If each component model contains uncertainties represented by a set of parameters, a…

数值分析 · 数学 2014-07-28 Paul G. Constantine , Eric T. Phipps , Timothy M. Wildey

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Neural PDE surrogates are often deployed in data-limited or partially observed regimes where downstream decisions depend on calibrated uncertainty in addition to low prediction error. Existing approaches obtain uncertainty through ensemble…

机器学习 · 计算机科学 2026-02-12 Carlos Stein Brito

When simulating multiscale stochastic differential equations (SDEs) in high-dimensions, separation of timescales, stochastic noise and high-dimensionality can make simulations prohibitively expensive. The computational cost is dictated by…

动力系统 · 数学 2015-10-13 Miles Crosskey , Mauro Maggioni

Fine-scale simulation of complex systems governed by multiscale partial differential equations (PDEs) is computationally expensive and various multiscale methods have been developed for addressing such problems. In addition, it is…

计算物理 · 物理学 2021-06-24 Govinda Anantha Padmanabha , Nicholas Zabaras

Modern control theory provides us with a spectrum of methods for studying the interconnection of dynamic systems using input-output properties of the interconnected subsystems. Perhaps the most advanced framework for such input-output…

最优化与控制 · 数学 2023-09-04 Aleksandr Talitckii , Peter Seiler , Matthew M. Peet

Robustness studies of black-box models is recognized as a necessary task for numerical models based on structural equations and predictive models learned from data. These studies must assess the model's robustness to possible…

最优化与控制 · 数学 2022-09-26 Marouane Il Idrissi , Nicolas Bousquet , Fabrice Gamboa , Bertrand Iooss , Jean-Michel Loubes

Unsupervised Environment Design (UED) offers a promising paradigm for improving reinforcement learning generalization by adaptively shaping training environments, but it requires reliable environment evaluation to remain effective. However,…

机器学习 · 计算机科学 2026-05-05 Fang Yuan , Quanjun Yin , Siqi Shen , Yuxiang Xie , Junqiang Yang , Long Qin , Junjie Zeng , Qinglun Li

Optimization in the latent space of variational autoencoders is a promising approach to generate high-dimensional discrete objects that maximize an expensive black-box property (e.g., drug-likeness in molecular generation, function…

机器学习 · 计算机科学 2021-07-02 Pascal Notin , José Miguel Hernández-Lobato , Yarin Gal