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In this paper, we propose novel proper orthogonal decomposition (POD)--based model reduction methods that effectively address the issue of inverse crime in solving parabolic inverse problems. Both the inverse initial value problems and…

Numerical Analysis · Mathematics 2024-06-05 Wenlong Zhang , Zhiwen Zhang

Meshless methods are commonly used to determine numerical solutions to partial differential equations (PDEs) for problems involving free surfaces and/or complex geometries, approximating spatial derivatives at collocation points via local…

Numerical Analysis · Mathematics 2025-10-24 H. Broadley , J. R. C. King , S. J. Lind

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

Accurate and robust object pose estimation for robotics applications requires verification and refinement steps. In this work, we propose to integrate hypotheses verification with object pose refinement guided by physics simulation. This…

Computer Vision and Pattern Recognition · Computer Science 2020-05-19 Dominik Bauer , Timothy Patten , Markus Vincze

Many physical and engineering systems require solving direct problems to predict behavior and inverse problems to determine unknown parameters from measurement. In this work, we study both aspects for systems governed by differential…

Numerical Analysis · Mathematics 2026-03-04 Noura Al Helwani , Sophie Moufawad , Georges Sakr

Reduced-order modeling (ROM) commonly refers to the construction, based on a few solutions (referred to as snapshots) of an expensive discretized partial differential equation (PDE), and the subsequent application of low-dimensional…

Numerical Analysis · Mathematics 2019-05-22 Martin Hess , Alessandro Alla , Annalisa Quaini , Gianluigi Rozza , Max Gunzburger

Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A key challenge lies in the search for parsimonious and…

Machine Learning · Computer Science 2025-09-12 Kai Ruan , Yilong Xu , Ze-Feng Gao , Yike Guo , Hao Sun , Ji-Rong Wen , Yang Liu

The efficient condition assessment of engineered systems requires the coupling of high fidelity models with data extracted from the state of the system `as-is'. In enabling this task, this paper implements a parametric Model Order Reduction…

Numerical Analysis · Mathematics 2024-07-25 Konstantinos Vlachas , Konstantinos Tatsis , Konstantinos Agathos , Adam R. Brink , Eleni Chatzi

The recently developed Projective Quantum Eigensolver (PQE) offers an elegant procedure to evaluate the ground state energies of molecular systems on quantum computers. However, the noise in available quantum hardware can result in…

Quantum Physics · Physics 2023-11-10 Chinmay Shrikhande , Sonaldeep Halder , Rahul Maitra

Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Bayesian optimization (BO), which leverages probabilistic models…

Machine Learning · Computer Science 2019-07-05 Willie Neiswanger , Kirthevasan Kandasamy , Barnabas Poczos , Jeff Schneider , Eric Xing

Molecule optimization is about generating molecule $Y$ with more desirable properties based on an input molecule $X$. The state-of-the-art approaches partition the molecules into a large set of substructures $S$ and grow the new molecule…

Machine Learning · Computer Science 2019-12-13 Tianfan Fu , Cao Xiao , Jimeng Sun

Surrogate-modelling techniques including Polynomial Chaos Expansion (PCE) is commonly used for statistical estimation (aka. Uncertainty Quantification) of quantities of interests obtained from expensive computational models. PCE is a…

Computational Engineering, Finance, and Science · Computer Science 2019-09-05 Alexander Tarakanov , Ahmed H. Elsheikh

Solving optimal control problems for transport-dominated partial differential equations (PDEs) can become computationally expensive, especially when dealing with high-dimensional systems. To overcome this challenge, we focus on developing…

Optimization and Control · Mathematics 2026-03-31 Tobias Breiten , Shubhaditya Burela , Philipp Schulze

Correctness is a necessary condition for systems to be effective in meeting human demands, thus playing a critical role in system development. However, correctness often manifests as a nebulous concept in practice, leading to challenges in…

Programming Languages · Computer Science 2024-02-23 Yepeng Ding

A parametric model order reduction (MOR) approach for simulating the high dimensional models arising in financial risk analysis is proposed on the basis of the proper orthogonal decomposition (POD) approach to generate small model…

Numerical Analysis · Mathematics 2021-10-05 Andreas Binder , Onkar Jadhav , Volker Mehrmann

Mixture proportion estimation (MPE) aims to estimate class priors from unlabeled data. This task is a critical component in weakly supervised learning, such as PU learning, learning with label noise, and domain adaptation. Existing MPE…

Machine Learning · Computer Science 2026-04-09 Yushi Hirose , Akito Narahara , Takafumi Kanamori

Surrogate modeling of costly mathematical models representing physical systems is challenging since it is typically not possible to create a large experimental design. Thus, it is beneficial to constrain the approximation to adhere to the…

Machine Learning · Computer Science 2023-09-06 Lukáš Novák , Himanshu Sharma , Michael D. Shields

Product models of low dimensional experts are a powerful way to avoid the curse of dimensionality. We present the ``under-complete product of experts' (UPoE), where each expert models a one dimensional projection of the data. The UPoE is…

Machine Learning · Computer Science 2012-12-12 Max Welling , Richard S. Zemel , Geoffrey E. Hinton

In this work, a novel method with an adaptive functional basis for reduced order models (ROM) based on proper orthogonal decomposition (POD) is introduced. The method is intended to be applied in particular to hydrocarbon reservoir…

Numerical Analysis · Mathematics 2021-06-23 Dmitry Voloskov , Dimitri Pissarenko

In an ever-increasing interest for Machine Learning (ML) and a favorable data development context, we here propose an original methodology for data-based prediction of two-dimensional physical fields. Polynomial Chaos Expansion (PCE),…

Computational Physics · Physics 2021-02-03 Rem-Sophia Mouradi , Cédric Goeury , Olivier Thual , Fabrice Zaoui , Pablo Tassi