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We introduce a new method to jointly reduce the dimension of the input and output space of a function between high-dimensional spaces. Choosing a reduced input subspace influences which output subspace is relevant and vice versa.…

Machine Learning · Statistics 2025-04-01 Qiao Chen , Elise Arnaud , Ricardo Baptista , Olivier Zahm

In this work, an optimization-based inverse design method is provided for multi-input multi-output (MIMO) metastructured devices. Typically, optimization-based methods use a full-wave solver in conjunction with an optimization routine to…

Applied Physics · Physics 2024-10-28 Luke Szymanski , Gurkan Gok , Anthony Grbic

The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…

Applied Physics · Physics 2026-04-07 Chun-Teh Chen , Denvid Lau

We present an efficient method for computing A-optimal experimental designs for infinite-dimensional Bayesian linear inverse problems governed by partial differential equations (PDEs). Specifically, we address the problem of optimizing the…

Computation · Statistics 2014-05-29 Alen Alexanderian , Noemi Petra , Georg Stadler , Omar Ghattas

Inverse design of materials with desired properties is currently laborious and heavily relies on intuition of researchers through a trial-and-error process. The massive combinational spaces due to the constituent elements and their…

Computational Physics · Physics 2019-08-22 Yuan Dong , Dawei Li , Chi Zhang , Chuhan Wu , Hong Wang , Ming Xin , Jianlin Cheng , Jian Lin

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable…

Materials Science · Physics 2021-06-08 Victor Fung , Jiaxin Zhang , Guoxiang Hu , P. Ganesh , Bobby G. Sumpter

We propose a new defense mechanism against adversarial attacks inspired by an optical co-processor, providing robustness without compromising natural accuracy in both white-box and black-box settings. This hardware co-processor performs a…

Computer Vision and Pattern Recognition · Computer Science 2022-10-03 Alessandro Cappelli , Ruben Ohana , Julien Launay , Laurent Meunier , Iacopo Poli , Florent Krzakala

Bayesian optimization (BO) is a sample-efficient approach for tuning design parameters to optimize expensive-to-evaluate, black-box performance metrics. In many manufacturing processes, the design parameters are subject to random input…

Machine Learning · Computer Science 2022-06-06 Samuel Daulton , Sait Cakmak , Maximilian Balandat , Michael A. Osborne , Enlu Zhou , Eytan Bakshy

In this work we investigate the practicality of stochastic gradient descent and recently introduced variants with variance-reduction techniques in imaging inverse problems. Such algorithms have been shown in the machine learning literature…

Optimization and Control · Mathematics 2021-01-26 Junqi Tang , Karen Egiazarian , Mohammad Golbabaee , Mike Davies

The discovery of new materials has been the essential force which brings a discontinuous improvement to industrial products' performance. However, the extra-vast combinatorial design space of material structures exceeds human experts'…

We introduce a fully stochastic gradient based approach to Bayesian optimal experimental design (BOED). Our approach utilizes variational lower bounds on the expected information gain (EIG) of an experiment that can be simultaneously…

Machine Learning · Statistics 2020-02-28 Adam Foster , Martin Jankowiak , Matthew O'Meara , Yee Whye Teh , Tom Rainforth

Adaptive structures are characterized by their ability to adjust their geometrical and other properties to changing loads or requirements during service. This contribution deals with a method for the design of quasi-static motions of…

Computational Engineering, Finance, and Science · Computer Science 2020-12-08 Renate Sachse , Manfred Bischoff

Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-range order and complex short- and medium-range orderings,…

Materials Science · Physics 2025-09-18 Jonas A. Finkler , Yan Lin , Tao Du , Jilin Hu , Morten M. Smedskjaer

Bayesian optimal experimental design (BOED) selects experiments to maximize information gain about model parameters. However, in decision-critical settings, reducing parameter uncertainty does not necessarily improve downstream decisions,…

Machine Learning · Computer Science 2026-05-26 Jinwoo Go , Xiaoning Qian , Byung-Jun Yoon

We present a practical methodology for inverse design of compact high-order/multiresonance filters in linear passive 2-port wave-scattering systems, targeting any desired transmission spectrum (such as standard pass/stop-band filters). Our…

Applied Physics · Physics 2026-02-11 Mo Chen , Steven G. Johnson , Aristeidis Karalis

We propose a novel approach for sequential optimal experimental design (sOED) for Bayesian inverse problems involving expensive models with high-dimensional unknown parameters. This work focuses on designs that maximize the expected…

Optimization and Control · Mathematics 2026-05-05 Tiangang Cui , Karina Koval , Roland Herzog , Robert Scheichl

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,…

Simulation-based inference (SBI) methods tackle complex scientific models with challenging inverse problems. However, SBI models often face a significant hurdle due to their non-differentiable nature, which hampers the use of gradient-based…

Machine Learning · Computer Science 2023-06-29 Vincent D. Zaballa , Elliot E. Hui

Topology optimization techniques have been applied in integrated optics and nanophotonics for the inverse design of devices with shapes that cannot be conceived by human intuition. At optical frequencies, these techniques have only been…

Optics · Physics 2022-04-15 Emadeldeen Hassan , Antonio Calà Lesina

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