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Optical multilayer thin film structures have been widely used in numerous photonic domains and applications. The key component to enable these applications is the inverse design. Different from other photonic structures such as metasurface…

Optics · Physics 2024-09-27 Taigao Ma , Mingqian Ma , L. Jay Guo

The inverse design of microstructures plays a pivotal role in optimizing metamaterials with specific, targeted physical properties. While traditional forward design methods are constrained by their inability to explore the vast…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Tianyang Xue , Haochen Li , Longdu Liu , Paul Henderson , Pengbin Tang , Lin Lu , Jikai Liu , Haisen Zhao , Hao Peng , Bernd Bickel

Inverse design aims to find design parameters $x$ achieving target performance $y^*$. Generative approaches learn bidirectional mappings between designs and labels, enabling diverse solution sampling. However, standard conditional flow…

Machine Learning · Computer Science 2026-03-18 Miguel de Campos , Werner Krebs , Hanno Gottschalk

Diffusion models promise to accelerate material design by directly generating novel structures with desired properties, but existing approaches typically require expensive and substantial labeled data ($>$10,000) and lack adaptability. Here…

Chemical Physics · Physics 2025-11-06 Junwu Chen , Jeff Guo , Edvin Fako , Philippe Schwaller

Inverse optimization, determining parameters of an optimization problem that render a given solution optimal, has received increasing attention in recent years. While significant inverse optimization literature exists for convex…

Optimization and Control · Mathematics 2021-09-02 Merve Bodur , Timothy C. Y. Chan , Ian Yihang Zhu

The accelerated inverse design of complex material properties - such as identifying a material with a given stress-strain response over a nonlinear deformation path - holds great potential for addressing challenges from soft robotics to…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Jan-Hendrik Bastek , Dennis M. Kochmann

The simulation of nanophotonic structures relies on electromagnetic solvers, which play a crucial role in understanding their behavior. However, these solvers often come with a significant computational cost, making their application in…

Machine Learning · Computer Science 2024-05-22 Liang Cheng , Prashant Singh , Francesco Ferranti

We present an end-to-end framework for generating solutions to combinatorial optimization problems with unknown components using transformer-based sequence-to-sequence neural networks. Our framework learns directly from past solutions and…

Optimization and Control · Mathematics 2026-02-06 Macarena Navarro , Willem-Jan van Hoeve , Karan Singh

Fitting an unknown number of hyperplanes to data is a fundamental yet challenging problem in machine learning, characterized by its non-convexity, non-differentiability, and unknown model order. Existing approaches often struggle with local…

Machine Learning · Computer Science 2026-05-28 Zhiqin Cheng , Yu Zhan , Mingjin Zhang , Lingbo Liu , Liang Lin

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient…

Machine Learning · Computer Science 2023-01-31 Tianci Liu , Tong Yang , Quan Zhang , Qi Lei

Optimizing the synthesis of zeolites and exploring novel frameworks offer pivotal opportunities and challenges in materials design. While inverse design proves highly effective for simpler crystals, its application to intricate structures…

Materials Science · Physics 2025-06-19 Chaohong Wang , Alberto Pérez de Alba Ortíz , Marjolein Dijkstra

Predicting of airfoil aerodynamic performance is a key part of aircraft design optimization, but the traditional methods (such as wind tunnel test and CFD simulation) have the problems of high cost and low efficiency, and the existing…

Neural and Evolutionary Computing · Computer Science 2025-06-10 MaolinYang , Yaohui Wang , Pingyu Jiang

Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…

Soft Condensed Matter · Physics 2020-04-13 Zachary M. Sherman , Michael P. Howard , Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

Applications of deep learning to physical simulations such as Computational Fluid Dynamics have recently experienced a surge in interest, and their viability has been demonstrated in different domains. However, due to the highly complex,…

Machine Learning · Computer Science 2025-03-19 Giuseppe Bruni , Sepehr Maleki , Senthil K. Krishnababu

The design of metamaterials which support unique optical responses is the basis for most thin-film nanophotonics applications. In practice this inverse design problem can be difficult to solve systematically due to the large design…

Computational Physics · Physics 2026-05-25 Andrew Lininger , Michael Hinczewski , Giuseppe Strangi

From higher computational efficiency to enabling the discovery of novel and complex structures, deep learning has emerged as a powerful framework for the design and optimization of nanophotonic circuits and components. However, both…

Machine Learning · Computer Science 2022-09-13 Christopher Yeung , Benjamin Pham , Zihan Zhang , Katherine T. Fountaine , Aaswath P. Raman

Artificial intelligence, particularly through recent advancements in deep learning, has achieved exceptional performances in many tasks in fields such as natural language processing and computer vision. In addition to desirable evaluation…

Machine Learning · Computer Science 2024-03-04 Sean Xie , Soroush Vosoughi , Saeed Hassanpour

Artificial intelligence techniques are considered an effective means to accelerate flow field simulations. However, current deep learning methods struggle to achieve generalization to flow field resolutions while ensuring computational…

Fluid Dynamics · Physics 2024-05-15 Kuijun Zuo , Zhengyin Ye , Linyang Zhu , Xianxu Yuan , Weiwei Zhang

High-dimensional nonlinear systems pose considerable challenges for modeling and control across many domains, from fluid mechanics to advanced robotics. Such systems are typically approximated with reduced-order models, which often rely on…

Systems and Control · Electrical Eng. & Systems 2025-09-05 Hugo Buurmeijer , Luis A. Pabon , John Irvin Alora , Roshan S. Kaundinya , George Haller , Marco Pavone

Generative inverse design requires incorporating physical constraints to ensure that generated designs are both reliable and accurate. However, we observe that current state-of-the-art energy-based methods suffer from an asynchronous…

Computational Engineering, Finance, and Science · Computer Science 2025-12-10 Aobo Yang , Zhen Wei , Rhea Liem , Pascal Fua
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