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We address the problem of optimal experimental design (OED) for Bayesian nonlinear inverse problems governed by PDEs. The goal is to find a placement of sensors, at which experimental data are collected, so as to minimize the uncertainty in…

Optimization and Control · Mathematics 2015-11-04 Alen Alexanderian , Noemi Petra , Georg Stadler , Omar Ghattas

Deep learning is a promising, ultra-fast approach for inverse design in nano-optics, but despite fast advancement of the field, the computational cost of dataset generation, as well as of the training procedure itself remains a major…

Engineered micro- and nanomechanical resonators with ultra-low dissipation constitute the ideal systems for applications ranging from high-precision sensing such as magnetic resonance force microscopy, to quantum transduction between…

Mesoscale and Nanoscale Physics · Physics 2021-10-27 Dennis Høj , Fengwen Wang , Wenjun Gao , Ulrich Busk Hoff , Ole Sigmund , Ulrik Lund Andersen

We introduce an inverse design framework based on artificial neural networks, genetic algorithms, and tight-binding calculations, capable to optimize the very large configuration space of nanoelectronic devices. Our non-linear optimization…

Mesoscale and Nanoscale Physics · Physics 2021-02-25 Kevin Ryczko , Pierre Darancet , Isaac Tamblyn

Structured optical waveforms are emerging as powerful control fields for the next generation of complex photonic and electromagnetic systems, where the temporal structure of light can determine the ultimate performance of scientific…

Inverse design has made vast physical parameter spaces a substrate for emergent behavior. In sensing, the stakes of this principle are sharpest at the analog-to-digital boundary, where any information the hardware fails to capture is…

Optics · Physics 2026-04-29 Arvin Keshvari , William Tuxbury , Zin Lin

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as…

Bayesian Optimization (BO) is a powerful tool for optimizing complex non-linear systems. However, its performance degrades in high-dimensional problems with tightly coupled parameters and highly asymmetric objective landscapes, where…

Machine Learning · Computer Science 2026-02-12 Aashwin Mishra , Matt Seaberg , Ryan Roussel , Daniel Ratner , Apurva Mehta

Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

Machine Learning · Computer Science 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin

Design optimisation offers the potential to develop lightweight aircraft structures with reduced environmental impact. Due to the high number of design variables and constraints, these challenges are typically addressed using gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-08-04 Hauke F. Maathuis , Roeland De Breuker , Saullo G. P. Castro

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

Computational Engineering, Finance, and Science · Computer Science 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg

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…

Compressive sensing (CS) reconstructs images from sub-Nyquist measurements by solving a sparsity-regularized inverse problem. Traditional CS solvers use iterative optimizers with hand crafted sparsifiers, while early data-driven methods…

Computer Vision and Pattern Recognition · Computer Science 2023-06-02 Pamuditha Somarathne , Tharindu Wickremasinghe , Amashi Niwarthana , A. Thieshanthan , Chamira U. S. Edussooriya , Dushan N. Wadduwage

Bayesian optimization (BO) has been broadly applied to computational expensive problems, but it is still challenging to extend BO to high dimensions. Existing works are usually under strict assumption of an additive or a linear embedding…

Machine Learning · Computer Science 2019-07-23 Miao Zhang , Huiqi Li , Steven Su

We study supervised learning algorithms in which a quantum device is used to perform a computational subroutine - either for prediction via probability estimation, or to compute a kernel via estimation of quantum states overlap. We design…

Quantum Physics · Physics 2021-07-07 Ulysse Chabaud , Damian Markham , Adel Sohbi

We propose to use Bayesian optimization (BO) to improve the efficiency of the design selection process in clinical trials. BO is a method to optimize expensive black-box functions, by using a regression as a surrogate to guide the search.…

Methodology · Statistics 2021-05-20 Jakob Richter , Tim Friede , Jörg Rahnenführer

Bayesian optimisation (BO) is a standard approach for sample-efficient global optimisation of expensive black-box functions, yet its scalability to high dimensions remains challenging. Here, we investigate nonlinear dimensionality reduction…

Optimization and Control · Mathematics 2025-10-20 Luo Long , Coralia Cartis , Paz Fink Shustin

Multiphoton interference is at the very heart of quantum foundations and applications in quantum sensing and information processing. In particular, boson sampling experiments have the potential to demonstrate quantum computational supremacy…

Quantum Physics · Physics 2021-09-15 Vincenzo Tamma , Simon Laibacher

Inverse-designed nanophotonic media are a promising platform for compact optical neural networks, but training them end to end is expensive because each adjoint iteration couples the full-wave solver to the dataset minibatch, so the number…

Optics · Physics 2026-04-24 Azka Maula Iskandar Muda , Uğur Teğin

Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled training data. We propose Design-GenNO, a physics-informed…

Mathematical Physics · Physics 2025-09-11 Yaohua Zang , Phaedon-Stelios Koutsourelakis