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In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

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

We demonstrate a multi-fidelity (MF) machine learning ensemble framework for the inverse design of photonic surfaces, trained on a dataset of 11,759 samples that we fabricate using high throughput femtosecond laser processing. The MF…

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…

Physics-Informed Neural Networks (PINN) are a machine learning tool that can be used to solve direct and inverse problems related to models described by Partial Differential Equations. This paper proposes an adaptive inverse PINN applied to…

Numerical Analysis · Mathematics 2024-11-28 Marco Berardi , Fabio Difonzo , Matteo Icardi

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Machine Learning · Computer Science 2021-12-21 Simiao Ren , Ashwin Mahendra , Omar Khatib , Yang Deng , Willie J. Padilla , Jordan M. Malof

Metasurfaces are ultra-thin optical elements composed of engineered sub-wavelength structures that enable precise control of light. Their inverse design - determining a geometry that yields a desired optical response - is challenging due to…

Optics · Physics 2025-06-30 Liav Hen , Erez Yosef , Dan Raviv , Raja Giryes , Jacob Scheuer

Inverse problems are central to a wide range of fields, including healthcare, climate science, and agriculture. They involve the estimation of inputs, typically via iterative optimization, to some known forward model so that it produces a…

Machine Learning · Computer Science 2025-06-24 Sean Memery , Kevin Denamganai , Anna Kapron-King , Kartic Subr

Data-driven models are central to scientific discovery. In efforts to achieve state-of-the-art model accuracy, researchers are employing increasingly complex machine learning algorithms that often outperform simple regressions in…

Materials Science · Physics 2022-12-21 Eric S. Muckley , James E. Saal , Bryce Meredig , Christopher S. Roper , John H. Martin

Advanced machine learning models have recently achieved high predictive accuracy for weather and climate prediction. However, these complex models often lack inherent transparency and interpretability, acting as "black boxes" that impede…

Atmospheric and Oceanic Physics · Physics 2024-03-29 Ruyi Yang , Jingyu Hu , Zihao Li , Jianli Mu , Tingzhao Yu , Jiangjiang Xia , Xuhong Li , Aritra Dasgupta , Haoyi Xiong

Here, we present a new approach based on manifold learning for knowledge discovery and inverse design with minimal complexity in photonic nanostructures. Our approach builds on studying sub-manifolds of responses of a class of…

The ability to explain decisions made by machine learning models remains one of the most significant hurdles towards widespread adoption of AI in highly sensitive areas such as medicine, cybersecurity or autonomous driving. Great interest…

Machine Learning · Computer Science 2024-12-17 Maximilian P Niroomand , David J Wales

We propose a method to use artificial neural networks to approximate light scattering by multilayer nanoparticles. We find the network needs to be trained on only a small sampling of the data in order to approximate the simulation to high…

Non-Hermitian systems offer new platforms for unusual physical properties that can be flexibly manipulated by redistribution of the real and imaginary parts of refractive indices, whose presence breaks conventional wave propagation…

Optics · Physics 2022-04-29 W. W. Ahmed , M. Farhat , K. Staliunas , X. Zhang , Y. Wu

Topological concepts open many new horizons for photonic devices, from integrated optics to lasers. The complexity of large scale topological devices asks for an effective solution of the inverse problem: how best to engineer the topology…

Optics · Physics 2018-03-09 Laura Pilozzi , Francis A. Farrelly , Giulia Marcucci , Claudio Conti

The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…

Plasmonic nanoantennas with suitable far-field characteristics are of huge interest for utilization in optical wireless links, inter-/intra-chip communications, LiDARs, and photonic integrated circuits due to their exceptional modal…

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…

Machine Learning · Computer Science 2022-02-09 Joeri Lenaerts , Hannah Pinson , Vincent Ginis

In this paper, we develop a deep learning approach for the accurate solution of challenging problems of near-field microscopy that leverages the powerful framework of physics-informed neural networks (PINNs) for the inversion of the complex…

Optics · Physics 2024-06-12 Yuyao Chen , Luca Dal Negro

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin