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We propose an inverse-design approach for computational spectrometers in which the scattering media are topology-optimized to achieve better performance in inference of unknown spectra. Unlike traditional end-to-end approaches, our inverse…

Optics · Physics 2026-03-31 Wenchao Ma , Raphaël Pestourie , Zin Lin , Steven G. Johnson

The inverse design approach in magnonics exploits the wave nature of magnons and machine learning to develop logical devices with functionalities that exceed the capabilities of analytical methods. While promising for analog, Boolean, and…

Other Condensed Matter · Physics 2025-05-26 Andrey A. Voronov , Marcos Cuervo Santos , Florian Bruckner , Dieter Suess , Andrii V. Chumak , Claas Abert

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

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'…

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

This paper systematically reviews the research progress and application prospects of machine learning technologies in the field of polymer materials. Currently, machine learning methods are developing rapidly in polymer material research;…

Materials Science · Physics 2025-10-31 Hongtao Guo Shuai Li Shu Li

Shape-morphing devices, a crucial branch in soft robotics, hold significant application value in areas like human-machine interfaces, biomimetic robotics, and tools for interacting with biological systems. To achieve three-dimensional (3D)…

Robotics · Computer Science 2024-01-30 Jue Wang , Dhirodaatto Sarkar , Jiaqi Suo , Alex Chortos

Thermal management in the hyper-scale cloud data centers is a critical problem. Increased host temperature creates hotspots which significantly increases cooling cost and affects reliability. Accurate prediction of host temperature is…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-17 Shashikant Ilager , Kotagiri Ramamohanarao , Rajkumar Buyya

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

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

Singlet fission has emerged as one of the most exciting phenomena known to improve the efficiencies of different types of solar cells and has found uses in diverse optoelectronic applications. The range of available singlet fission…

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

Predicting the chemical resistance of polymers to organic solvents is a longstanding challenge in materials science, with significant implications for sustainable materials design and industrial applications. Here, we address the need for…

Multi-component polymer systems are of interest in organic photovoltaic and drug delivery applications, among others where diverse morphologies influence performance. An improved understanding of morphology classification, driven by…

Computational Engineering, Finance, and Science · Computer Science 2020-08-27 Pavan Inguva , Lachlan Mason , Indranil Pan , Miselle Hengardi , Omar K. Matar

One of the critical components in Industrial Gas Turbines (IGT) is the turbine blade. Design of turbine blades needs to consider multiple aspects like aerodynamic efficiency, durability, safety and manufacturing, which make the design…

Flammability index (FI) and cone calorimetry outcomes, such as maximum heat release rate, time to ignition, total smoke release, and fire growth rate, are critical factors in evaluating the fire safety of polymers. However, predicting these…

Machine Learning · Computer Science 2025-04-02 Duy Nhat Phan , Alexander B. Morgan , Lokendra Poudel , Rahul Bhowmik

Aerosol particles play an important role in the climate system by absorbing and scattering radiation and influencing cloud properties. They are also one of the biggest sources of uncertainty for climate modeling. Many climate models do not…

Machine Learning · Computer Science 2021-09-30 Paula Harder , Duncan Watson-Parris , Dominik Strassel , Nicolas Gauger , Philip Stier , Janis Keuper

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

Vitrimer is an emerging class of sustainable polymers with self-healing capabilities enabled by dynamic covalent adaptive networks. However, their limited molecular diversity constrains their property space and potential applications.…

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