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Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target…

机器学习 · 计算机科学 2025-03-07 Manh Cuong Dao , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang

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

In this paper, a new sequential surrogate-based optimization (SSBO) algorithm is developed, which aims to improve the global search ability and local search efficiency for the global optimization of expensive black-box models. The proposed…

机器学习 · 统计学 2018-11-30 Chunlin Gong , Xu Li , Hua Su , Jinlei Guo , Liangxian Gu

Nonlinear parametric inverse problems appear in many applications. Here, we focus on diffuse optical tomography (DOT) in medical imaging to recover unknown images of interest, such as cancerous tissue in a given medium, using a mathematical…

数值分析 · 数学 2020-07-14 Selin Aslan , Eric de Sturler , Serkan Gugercin

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the…

A genetic algorithm is suitable for exploring large search spaces as it finds an approximate solution. Because of this advantage, genetic algorithm is effective in exploring vast and unknown space such as molecular search space. Though the…

神经与进化计算 · 计算机科学 2021-12-24 Yurim Lee , Gydam Choi , Minsung Yoon , Cheongwon Kim

The optimization of large-scale multibody systems is a numerically challenging task, in particular when considering multiple conflicting criteria at the same time. In this situation, we need to approximate the Pareto set of optimal…

Optical devices lie at the heart of most of the technology we see around us. When one actually wants to make such an optical device, one can predict its optical behavior using computational simulations of Maxwell's equations. If one then…

机器学习 · 计算机科学 2022-02-09 Joeri Lenaerts , Hannah Pinson , Vincent Ginis

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do…

Photonic brain-inspired platforms are emerging as novel analog computing devices, enabling fast and energy-efficient operations for machine learning. These artificial neural networks generally require tailored optical elements, such as…

新兴技术 · 计算机科学 2021-07-30 Davide Pierangeli , Giulia Marcucci , Claudio Conti

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast…

材料科学 · 物理学 2024-11-19 Peder Lyngby , Casper Larsen , Karsten Wedel Jacobsen

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

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

Inverse design algorithms are the basis for realizing high-performance, freeform nanophotonic devices. Current methods to enforce geometric constraints, such as practical fabrication constraints, are heuristic and not robust. In this work,…

应用物理 · 物理学 2020-07-28 Mingkun Chen , Jiaqi Jiang , Jonathan Fan

Black-box and preference-based optimization algorithms are global optimization procedures that aim to find the global solutions of an optimization problem using, respectively, the least amount of function evaluations or sample comparisons…

最优化与控制 · 数学 2022-02-04 Davide Previtali , Mirko Mazzoleni , Antonio Ferramosca , Fabio Previdi

With the emergence of new photonic and plasmonic materials with optimized properties as well as advanced nanofabrication techniques, nanophotonic devices are now capable of providing solutions to global challenges in energy conversion,…

Carefully designed activation functions can improve the performance of neural networks in many machine learning tasks. However, it is difficult for humans to construct optimal activation functions, and current activation function search…

机器学习 · 计算机科学 2023-11-10 Garrett Bingham , Risto Miikkulainen

The development of low-loss reconfigurable integrated optical devices enables further research into technologies including photonic signal processing, analogue quantum computing, and optical neural networks. Here, we introduce digital…

We propose a model order reduction approach for non-intrusive surrogate modeling of parametric dynamical systems. The reduced model over the whole parameter space is built by combining surrogates in frequency only, built at few selected…

数值分析 · 数学 2021-09-23 Fabio Nobile , Davide Pradovera

Optimal design of experiments for Bayesian inverse problems has recently gained wide popularity and attracted much attention, especially in the computational science and Bayesian inversion communities. An optimal design maximizes a…

最优化与控制 · 数学 2023-05-09 Ahmed Attia , Sven Leyffer , Todd Munson