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We address a three-tier data-driven approach to solve the inverse problem in complex systems modelling from spatio-temporal data produced by microscopic simulators using machine learning. In the first step, we exploit manifold learning and…

Dynamical Systems · Mathematics 2023-03-16 Evangelos Galaris , Gianluca Fabiani , Ioannis Gallos , Ioannis Kevrekidis , Constantinos Siettos

Deep regression is an important problem with numerous applications. These range from computer vision tasks such as age estimation from photographs, to medical tasks such as ejection fraction estimation from echocardiograms for disease…

Computer Vision and Pattern Recognition · Computer Science 2023-02-16 Weihang Dai , Xiaomeng Li , Kwang-Ting Cheng

An adaptation of Response Surface Methodology (RSM) when the covariate is of high or infinite dimensional is proposed, providing a tool for black-box optimization in this context. We combine dimension reduction techniques with classical…

Statistics Theory · Mathematics 2015-11-19 Angelina Roche

Many parametric statistical models are not properly normalised and only specified up to an intractable partition function, which renders parameter estimation difficult. Examples of unnormalised models are Gibbs distributions, Markov random…

Machine Learning · Statistics 2018-06-12 Ciwan Ceylan , Michael U. Gutmann

Uncertainty quantification (UQ) plays a pivotal role in scientific machine learning, especially when surrogate models are used to approximate complex systems. Although multilayer perceptions (MLPs) are commonly employed as surrogates, they…

Numerical Analysis · Mathematics 2025-01-22 Zhiwei Gao , George Em Karniadakis

Compressed sensing techniques enable efficient acquisition and recovery of sparse, high-dimensional data signals via low-dimensional projections. In this work, we propose Uncertainty Autoencoders, a learning framework for unsupervised…

Machine Learning · Statistics 2019-04-15 Aditya Grover , Stefano Ermon

We present a computational framework for dimension reduction and surrogate modeling to accelerate uncertainty quantification in computationally intensive models with high-dimensional inputs and function-valued outputs. Our driving…

Numerical Analysis · Mathematics 2021-06-30 Helen Cleaves , Alen Alexanderian , Bilal Saad

The goal of supervised representation learning is to construct effective data representations for prediction. Among all the characteristics of an ideal nonparametric representation of high-dimensional complex data, sufficiency, low…

Machine Learning · Computer Science 2022-09-02 Jian Huang , Yuling Jiao , Xu Liao , Jin Liu , Zhou Yu

Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural…

Machine Learning · Computer Science 2024-06-13 S. Chandra Mouli , Danielle C. Maddix , Shima Alizadeh , Gaurav Gupta , Andrew Stuart , Michael W. Mahoney , Yuyang Wang

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Weihao Yan , Christoph Brune , Mengwu Guo

A mainstream type of current self-supervised learning methods pursues a general-purpose representation that can be well transferred to downstream tasks, typically by optimizing on a given pretext task such as instance discrimination. In…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Xin Liu , Zhongdao Wang , Yali Li , Shengjin Wang

Principal component analysis (PCA) is a well-known linear dimension-reduction method that has been widely used in data analysis and modeling. It is an unsupervised learning technique that identifies a suitable linear subspace for the input…

Machine Learning · Statistics 2021-09-10 Shaojie Xu , Joel Vaughan , Jie Chen , Agus Sudjianto , Vijayan Nair

Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

Optimization and Control · Mathematics 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

In surrogate modeling, polynomial chaos expansion (PCE) is popularly utilized to represent the random model responses, which are computationally expensive and usually obtained by deterministic numerical modeling approaches including finite…

Computation · Statistics 2020-06-01 Z. Liu , D. Lesselier , B. Sudret , J. Wiart

The role of uncertainty quantification (UQ) in deep learning has become crucial with growing use of predictive models in high-risk applications. Though a large class of methods exists for measuring deep uncertainties, in practice, the…

Machine Learning · Statistics 2019-11-01 Bindya Venkatesh , Jayaraman J. Thiagarajan

Unsupervised representation learning presents new opportunities for advancing Quantum Architecture Search (QAS) on Noisy Intermediate-Scale Quantum (NISQ) devices. QAS is designed to optimize quantum circuits for Variational Quantum…

Quantum Physics · Physics 2026-02-04 Yize Sun , Zixin Wu , Volker Tresp , Yunpu Ma

We propose a physics-informed machine learning method for uncertainty quantification in high-dimensional inverse problems. In this method, the states and parameters of partial differential equations (PDEs) are approximated with truncated…

Machine Learning · Computer Science 2023-12-27 Yifei Zong , David Barajas-Solano , Alexandre M. Tartakovsky

Inverse design is a central goal in much of science and engineering, including frequency-selective surfaces (FSS) that are critical to microelectronics for telecommunications and optical metamaterials. Traditional surrogate-assisted…

Relying on the classical connection between Backward Stochastic Differential Equations (BSDEs) and non-linear parabolic partial differential equations (PDEs), we propose a new probabilistic learning scheme for solving high-dimensional…

Numerical Analysis · Mathematics 2021-02-25 Jean-François Chassagneux , Junchao Chen , Noufel Frikha , Chao Zhou

Uncertainty quantification appears today as a crucial point in numerous branches of science and engineering. In the past two decades, a growing interest has been devoted to stochastic finite element method (SFEM) for the propagation of…

Numerical Analysis · Mathematics 2020-08-11 Zhibao Zheng
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