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Inverse design optimization aims to infer system parameters from observed solutions, posing critical challenges across domains such as semiconductor manufacturing, structural engineering, materials science, and fluid dynamics. The lack of…

Artificial Intelligence · Computer Science 2025-10-16 Haoyu Yang , Kamyar Azizzadenesheli , Haoxing Ren

Deep learning has emerged as a key tool for designing nanophotonic structures that manipulate light at sub-wavelength scales. We investigate how to inversely design plasmonic nanostructures using conditional generative adversarial networks.…

Optics · Physics 2026-05-21 Petter Persson , Nils Henriksson , Nicolò Maccaferri

Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation data is too expensive or dangerous. To avoid that, one has…

Machine Learning · Computer Science 2024-05-10 Yassine Chemingui , Aryan Deshwal , Trong Nghia Hoang , Janardhan Rao Doppa

Bayesian optimization (BO) algorithms form a class of surrogate-based heuristics, aimed at efficiently computing high-quality solutions for numerical black-box optimization problems. The BO pipeline is highly modular, with different design…

Machine Learning · Computer Science 2022-11-18 Carolin Benjamins , Anja Jankovic , Elena Raponi , Koen van der Blom , Marius Lindauer , Carola Doerr

We introduce a new method for inverse design of nanophotonic devices which guarantees that resulting designs satisfy strict length scale constraints - including minimum width and spacing constraints required by commercial semiconductor…

Emerging Technologies · Computer Science 2022-07-26 Martin F. Schubert , Alfred K. C. Cheung , Ian A. D. Williamson , Aleksandra Spyra , David H. Alexander

Hyperparameter optimization is the process of identifying the appropriate hyperparameter configuration of a given machine learning model with regard to a given learning task. For smaller data sets, an exhaustive search is possible; However,…

Machine Learning · Computer Science 2022-09-30 Blaž Škrlj , Adi Schwartz , Jure Ferlež , Davorin Kopič , Naama Ziporin

Inverse modeling for computing a high-dimensional spatially-varying property field from indirect sparse and noisy observations is a challenging problem. This is due to the complex physical system of interest often expressed in the form of…

Computational Physics · Physics 2021-02-22 Govinda Anantha Padmanabha , Nicholas Zabaras

In NeuroEvolution, the topologies of artificial neural networks are optimized with evolutionary algorithms to solve tasks in data regression, data classification, or reinforcement learning. One downside of NeuroEvolution is the large amount…

Neural and Evolutionary Computing · Computer Science 2019-02-12 Jörg Stork , Martin Zaefferer , Thomas Bartz-Beielstein

Ultrathin meta-optics offer unmatched, multifunctional control of light. Next-generation optical technologies, however, demand unprecedented performance. This will likely require design algorithms surpassing the capability of human…

Optics · Physics 2021-04-06 Shane Colburn , Arka Majumdar

Optimization problems involving mixed variables (i.e., variables of numerical and categorical nature) can be challenging to solve, especially in the presence of mixed-variable constraints. Moreover, when the objective function is the result…

Optimization and Control · Mathematics 2024-12-12 Mengjia Zhu , Alberto Bemporad

This paper presents a particle swarm optimization algorithm that leverages surrogate modeling to replace the conventional global best solution with the minimum of an n-dimensional quadratic form, providing a better-conditioned dynamic…

Neural and Evolutionary Computing · Computer Science 2026-03-19 Maurizio Clemente , Marcello Canova

The selection of optimal design for power electronic converter parameters involves balancing efficiency and thermal constraints to ensure high performance without compromising safety. This paper introduces a probabilistic-learning-based…

Systems and Control · Electrical Eng. & Systems 2025-12-30 Akash Mahajan , Shivam Chaturvedi , Srijita Das , Wencong Su , Van-Hai Bui

Surrogate model can replace the parametric full-order model (FOM) by an approximation model, which can significantly improve the efficiency of optimization design and reduce the complexity of engineering systems. However, due to limitations…

Fluid Dynamics · Physics 2025-03-18 Xu Wang , Ruiqi Huang , Jiaqing Kou , Hui Tang , Weiwei Zhang

Parametric shape optimization aims at minimizing an objective function f(x) where x are CAD parameters. This task is difficult when f is the output of an expensive-to-evaluate numerical simulator and the number of CAD parameters is large.…

Machine Learning · Statistics 2021-05-06 David Gaudrie , Rodolphe Le Riche , Victor Picheny , Benoit Enaux , Vincent Herbert

Breakthroughs in aerodynamic optimization have made it possible to develop efficient modes of transport with lesser exploitation of valuable resources. This makes it crucial for technical professionals such as engineers and scientists to…

Fluid Dynamics · Physics 2023-11-09 Paras Singh , Harshit Gupta , Ojas Vinayak , Aryan Tyagi

In this work we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching, surface recombination can dominate the…

Materials Science · Physics 2025-06-12 Angel Yanguas-Gil , Jeffrey W. Elam

Electromagnetic metasurface design based on far-field constraints without the complete knowledge of the fields on both sides of the metasurface is typically a time consuming and iterative process, which relies heavily on heuristics and ad…

Optics · Physics 2022-08-17 Parinaz Naseri , Stewart Pearson , Zhengzheng Wang , Sean V. Hum

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

In this paper, we present a novel tolerance allocation algorithm for the assessment and control of geometric variation on system performance that is applicable to any system of partial differential equations. In particular, we parameterize…

Numerical Analysis · Mathematics 2019-04-16 Joseph Benzaken , Alireza Doostan , John A. Evans

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…