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The application of Deep Neural Networks (DNNs) to a broad variety of tasks demands methods for coping with the complex and opaque nature of these architectures. When a gold standard is available, performance assessment treats the DNN as a…

Machine Learning · Computer Science 2022-12-23 Piero Fraternali , Federico Milani , Rocio Nahime Torres , Niccolò Zangrando

Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in…

Mathematical Software · Computer Science 2017-04-05 Curt Da Silva , Felix J. Herrmann

Input design is an important issue for classical system identification methods but has not been investigated for the kernel-based regularization method (KRM) until very recently. In this paper, we consider in the time domain the input…

Systems and Control · Computer Science 2017-08-21 Biqiang Mu , Tianshi Chen

Inverse design of morphing slender structures with programmable curvature has significant applications in various engineering fields. Most existing studies formulate it as an optimization problem, which requires repeatedly solving the…

Soft Condensed Matter · Physics 2025-08-28 JiaHao Li , Weicheng Huang , YinBo Zhu , Luxia Yu , Xiaohao Sun , Mingchao Liu , HengAn Wu

The rational design of novel polymers with tailored material properties has been a long-standing challenge in the field due to the large number of possible polymer design variables. To accelerate this design process, there is a critical…

Soft Condensed Matter · Physics 2025-04-11 Vinson Liao , Arthi Jayaraman

This paper introduces a methodology designed to augment the inverse design optimization process in scenarios constrained by limited compute, through the strategic synergy of multi-fidelity evaluations, machine learning models, and…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

We consider the problem of searching an input maximizing a black-box objective function given a static dataset of input-output queries. A popular approach to solving this problem is maintaining a proxy model, e.g., a deep neural network…

Machine Learning · Computer Science 2021-10-28 Sihyun Yu , Sungsoo Ahn , Le Song , Jinwoo Shin

Parameter estimation of nonlinear state-space models from input-output data typically requires solving a highly non-convex optimization problem prone to slow convergence and suboptimal solutions. This work improves the reliability and…

Signal Processing · Electrical Eng. & Systems 2026-02-27 Merijn Floren , Jan Swevers

Generating adversarial examples in a black-box setting retains a significant challenge with vast practical application prospects. In particular, existing black-box attacks suffer from the need for excessive queries, as it is non-trivial to…

Computer Vision and Pattern Recognition · Computer Science 2020-05-11 Jie Li , Rongrong Ji , Hong Liu , Jianzhuang Liu , Bineng Zhong , Cheng Deng , Qi Tian

Quantum computing and machine learning are state-of-the-art technologies that have been investigated intensively in both academia and industry. The hybrid technology of these two ingredients is expected to be a powerful tool to solve…

Quantum Physics · Physics 2026-03-05 Yusuke Hama , Tadashi Kadowaki

Inverse design in nanophotonics, the computational discovery of structures achieving targeted electromagnetic (EM) responses, has become a key tool for recent optical advances. Traditional intuition-driven or iterative optimization methods…

Applied Physics · Physics 2025-10-15 Reza Marzban , Ali Adibi , Raphael Pestourie

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

Machine Learning · Computer Science 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

Optimal Lens Design constitutes a fundamental, long-standing real-world optimization challenge. Potentially large number of optima, rich variety of critical points, as well as solid understanding of certain optimal designs per simple…

Computational Engineering, Finance, and Science · Computer Science 2021-05-25 Anna V. Kononova , Ofer M. Shir , Teus Tukker , Pierluigi Frisco , Shutong Zeng , Thomas Bäck

In the last years many accurate decision support systems have been constructed as black boxes, that is as systems that hide their internal logic to the user. This lack of explanation constitutes both a practical and an ethical issue. The…

Computers and Society · Computer Science 2018-06-22 Riccardo Guidotti , Anna Monreale , Salvatore Ruggieri , Franco Turini , Dino Pedreschi , Fosca Giannotti

We present a complete reimplementation of the LinearSystem package of Magma, with substantial improvements in design and performance. The resulting efficiency enables computations that were previously out of reach. We briefly describe the…

Algebraic Geometry · Mathematics 2025-09-09 Carlos Rito

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

A fundamental challenge in the design of photonic devices, and electromagnetic structures more generally, is the optimization of their overall architecture to achieve a desired response. To this end, topology or shape optimizers based on…

Solving optimization problems in which functions are blackboxes and variables involve different types poses significant theoretical and algorithmic challenges. Nevertheless, such settings frequently occur in simulation-based engineering…

Optimization and Control · Mathematics 2025-06-25 Charles Audet , Youssef Diouane , Edward Hallé-Hannan , Sébastien Le Digabel , Christophe Tribes

Understanding how nonlinear dynamical systems (e.g., artificial neural networks and neural circuits) process information requires comparing their underlying dynamics at scale, across diverse architectures and large neural recordings. While…

Artificial Intelligence · Computer Science 2026-04-03 Arman Behrad , Mitchell Ostrow , Mohammad Taha Fakharian , Ila Fiete , Christian Beste , Shervin Safavi

The encoding of solutions in black-box optimization is a delicate, handcrafted balance between expressiveness and domain knowledge -- between exploring a wide variety of solutions, and ensuring that those solutions are useful. Our main…

Neural and Evolutionary Computing · Computer Science 2020-07-07 Adam Gaier , Alexander Asteroth , Jean-Baptiste Mouret