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The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

化学物理 · 物理学 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

图像与视频处理 · 电气工程与系统科学 2020-10-01 Xihaier Luo , Ahsan Kareem

Predicting the behavior of complex systems in engineering often involves significant uncertainty about operating conditions, such as external loads, environmental effects, and manufacturing variability. As a result, uncertainty…

统计计算 · 统计学 2025-07-17 S. Marelli , S. Schär , B. Sudret

This paper is concerned with the use of polynomial metamodels for the design of acoustical materials, considered as equivalent fluids. Polynomial series in microstructural parameters are considered, and allow us to approximate the…

应用物理 · 物理学 2018-01-01 Van Hai Trinh , Johann Guilleminot , Camille Perrot

Numerical models based on physics represent the state-of-the-art in earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model…

机器学习 · 计算机科学 2022-01-10 Kate Duffy , Thomas Vandal , Weile Wang , Ramakrishna Nemani , Auroop R. Ganguly

Data-driven surrogate models offer quick approximations to complex numerical and experimental systems but typically lack uncertainty quantification, limiting their reliability in safety-critical applications. While Bayesian methods provide…

Data-driven surrogate models are widely used for applications such as design optimization and uncertainty quantification, where repeated evaluations of an expensive simulator are required. For most partial differential equation (PDE)…

计算物理 · 物理学 2019-10-18 Wei Xing , Robert M. Kirby , Shandian Zhe

Fatigue crack growth is one of the most common types of deterioration in metal structures with significant implications on their reliability. Recent advances in Structural Health Monitoring (SHM) have motivated the use of structural…

机器学习 · 统计学 2023-10-12 Nicholas E. Silionis , Konstantinos N. Anyfantis

Determining, understanding, and predicting the so-called structure-property relation is an important task in many scientific disciplines, such as chemistry, biology, meteorology, physics, engineering, and materials science. Structure refers…

Surrogate modeling is an essential data-driven technique for quantifying relationships between input variables and system responses in manufacturing and engineering systems. Two major challenges limit its effectiveness: (1) large data…

机器学习 · 计算机科学 2026-03-11 Manan Mehta , Zhiqiao Dong , Yuhang Yang , Chenhui Shao

Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…

最优化与控制 · 数学 2021-06-14 L. Jeff Hong , Xiaowei Zhang

Highly accurate datasets from numerical or physical experiments are often expensive and time-consuming to acquire, posing a significant challenge for applications that require precise evaluations, potentially across multiple scenarios and…

机器学习 · 计算机科学 2026-02-06 Paolo Conti , Mengwu Guo , Attilio Frangi , Andrea Manzoni

Stochastic kriging is a popular metamodeling technique for representing the unknown response surface of a simulation model. However, the simulation model may be inadequate in the sense that there may be a non-negligible discrepancy between…

统计方法学 · 统计学 2018-02-14 Lu Zou , Xiaowei Zhang

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

统计方法学 · 统计学 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

The root mean squared error is an important measure used in a variety of applications such as structural dynamics and acoustics to model averaged deviations from standard behavior. For large-scale systems, simulations of this quantity…

数值分析 · 数学 2025-04-22 Sean Reiter , Steffen W. R. Werner

Performing reliability analysis on complex systems is often computationally expensive. In particular, when dealing with systems having high input dimensionality, reliability estimation becomes a daunting task. A popular approach to overcome…

机器学习 · 统计学 2021-12-22 Navaneeth N. , Souvik Chakraborty

Multi-fidelity methods leverage low-cost surrogate models to speed up computations and make occasional recourse to expensive high-fidelity models to establish accuracy guarantees. Because surrogate and high-fidelity models are used…

数值分析 · 数学 2021-09-14 Terrence Alsup , Benjamin Peherstorfer

In the framework of reduced basis methods, we recently introduced a new certified hierarchical and adaptive surrogate model, which can be used for efficient approximation of input-output maps that are governed by parametrized partial…

We give the first mathematically rigorous analysis of an emerging approach to finite element analysis (see, e.g., Bauer et al. [Appl. Numer. Math., 2017]), which we hereby refer to as the surrogate matrix methodology. This methodology is…

数值分析 · 数学 2020-08-11 Daniel Drzisga , Brendan Keith , Barbara Wohlmuth

Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…

机器学习 · 计算机科学 2026-03-13 Piragash Manmatharasan , Girma Bitsuamlak , Katarina Grolinger