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Parameter calibration is essential for reducing uncertainty and improving predictive fidelity in physics-based models, yet it is often limited by the high computational cost of model evaluations. Bayesian calibration methods provide a…

统计方法学 · 统计学 2026-01-21 Maike F. Holthuijzen , Atlanta Chakraborty , Elizabeth Krath , Tommie Catanach

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For…

机器学习 · 统计学 2022-09-28 Felix Schneider , Iason Papaioannou , Gerhard Müller

Surrogate models are ubiquitously used in industry and academia to efficiently approximate given black box functions. As state-of-the-art methods from classical machine learning frequently struggle to solve this problem accurately for the…

This paper introduces a modular and scalable design optimization framework for the glider wing design process that enables faster early-phase design while ensuring aerodynamic stability. The pipeline starts with the generation of initial…

神经与进化计算 · 计算机科学 2026-05-06 Arash Fath Lipaei , AmirHossein Ghaemi , Melika Sabzikari

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

机器学习 · 计算机科学 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

In this paper, we propose an efficient NAS algorithm for generating task-specific models that are competitive under multiple competing objectives. It comprises of two surrogates, one at the architecture level to improve sample efficiency…

计算机视觉与模式识别 · 计算机科学 2020-07-22 Zhichao Lu , Kalyanmoy Deb , Erik Goodman , Wolfgang Banzhaf , Vishnu Naresh Boddeti

The computational burden of running a complex computer model can make optimization impractical. Gaussian Processes (GPs) are statistical surrogates (also known as emulators) that alleviate this issue since they cheaply replace the computer…

统计计算 · 统计学 2019-09-11 Theodoros Mathikolonis , Serge Guillas

Solving optimization problems with unknown parameters often requires learning a predictive model to predict the values of the unknown parameters and then solving the problem using these values. Recent work has shown that including the…

机器学习 · 计算机科学 2020-10-23 Kai Wang , Bryan Wilder , Andrew Perrault , Milind Tambe

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

数值分析 · 数学 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

The optimal and robust design of structures has gained much attention in the past ten years due to the ever increasing need for manufacturers to build robust systems at the lowest cost. Reliability-based design optimization (RBDO) allows…

应用统计 · 统计学 2017-04-12 Vincent Dubourg , Jean-Marc Bourinet , Bruno Sudret

Uncertainties are inherent to real-world systems. Taking them into account is crucial in industrial design problems and this might be achieved through reliability-based design optimization (RBDO) techniques. In this paper, we propose a…

统计计算 · 统计学 2016-05-31 M. Moustapha , B. Sudret , J. -M. Bourinet , B. Guillaume

The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage,…

计算工程、金融与科学 · 计算机科学 2015-12-07 Peter Banda , Drew Blount , Christof Teuscher

Numerous challenges in science and engineering can be framed as optimization tasks, including the maximization of reaction yields, the optimization of molecular and materials properties, and the fine-tuning of automated hardware protocols.…

最优化与控制 · 数学 2021-11-19 Matteo Aldeghi , Florian Häse , Riley J. Hickman , Isaac Tamblyn , Alán Aspuru-Guzik

In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

计算工程、金融与科学 · 计算机科学 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

With computational models becoming more expensive and complex, surrogate models have gained increasing attention in many scientific disciplines and are often necessary to conduct sensitivity studies, parameter optimization etc. In the…

统计方法学 · 统计学 2023-07-24 Matthias Fischer , Carsten Proppe

Surrogate-assisted Evolutionary Algorithms~(SAEAs) have shown promising robustness in solving expensive optimization problems. A key aspect that impacts SAEAs' effectiveness is surrogate model selection, which in existing works is…

神经与进化计算 · 计算机科学 2026-02-03 Yuxin Wu , Hongshu Guo , Ting Huang , Yue-Jiao Gong , Zeyuan Ma

In this era of exoplanet characterisation with JWST, the need for a fast implementation of classical forward models to understand the chemical and physical processes in exoplanet atmospheres is more important than ever. Notably, the…

地球与行星天体物理 · 物理学 2023-06-28 Julius L. A. M. Hendrix , Amy J. Louca , Yamila Miguel

Surrogate-assisted evolutionary algorithms (SAEAs) hold significant importance in resolving expensive optimization problems~(EOPs). Extensive efforts have been devoted to improving the efficacy of SAEAs through the development of proficient…

神经与进化计算 · 计算机科学 2023-10-10 Hao Hao , Xiaoqun Zhang , Aimin Zhou

Evolutionary algorithms provide gradient-free optimisation which is beneficial for models that have difficulty in obtaining gradients; for instance, geoscientific landscape evolution models. However, such models are at times computationally…

分布式、并行与集群计算 · 计算机科学 2023-06-28 Rohitash Chandra , Yash Vardhan Sharma

We construct efficient surrogate models for parametric forward operators arising in brain tumor growth simulations, governed by coupled semilinear parabolic reaction-diffusion systems on heterogeneous two- and three-dimensional domains. We…

数值分析 · 数学 2026-03-17 Asikul Islam , Md Rezwan Bin Mizan , Maxim Olshanskii , Andreas Mang