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Photonic surfaces designed with specific optical characteristics are becoming increasingly important for use in in various energy harvesting and storage systems. , In this study, we develop a surrogate-based optimization approach for…

Optimization and Control · Mathematics 2024-07-08 Luka Grbcic , Minok Park , Juliane Müller , Vassilia Zorba , Wibe Albert de Jong

In computational design and fabrication, neural networks are becoming important surrogates for bulky forward simulations. A long-standing, intertwined question is that of inverse design: how to compute a design that satisfies a desired…

Graphics · Computer Science 2022-08-30 Navid Ansari , Hans-Peter Seidel , Vahid Babaei

Highly accurate datasets from numerical or physical experiments are often expensive and time-consuming to acquire, posing a significant challenge for applications that require precise evaluations, potentially across multiple scenarios and…

Machine Learning · Computer Science 2026-02-06 Paolo Conti , Mengwu Guo , Attilio Frangi , Andrea Manzoni

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Machine Learning · Computer Science 2026-02-11 Cheng Zeng , Zulqarnain Khan , Nathan L. Post

Algorithm designers typically assume that the input data is correct, and then proceed to find "optimal" or "sub-optimal" solutions using this input data. However this assumption of correct data does not always hold in practice, especially…

Machine Learning · Computer Science 2015-10-13 Hal Daumé , Samir Khuller , Manish Purohit , Gregory Sanders

High-speed flight vehicles, which travel much faster than the speed of sound, are crucial for national defense and space exploration. However, accurately predicting their behavior under numerous, varied flight conditions is a challenge and…

Machine Learning · Computer Science 2024-11-07 Tyler E. Korenyi-Both , Nathan J. Falkiewicz , Matthew C. Jones

Structured prediction involves learning to predict complex structures rather than simple scalar values. The main challenge arises from the non-Euclidean nature of the output space, which generally requires relaxing the problem formulation.…

Machine Learning · Statistics 2024-11-19 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

The project aims to explore a novel way to design and produce cellular materials with good energy absorption and recoverability properties. Spinodoid structures offer an alternative to engineering structures such as honeycombs and foam with…

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

Recent advances in meta-optics have enabled diverse functionalities in compact optical devices; however, conventional forward design approaches become inadequate as device complexity and scale grow. Inverse design offers a powerful…

We present a proof-of-concept study of the inverse problem of inferring neutron-star properties directly from the post-merger gravitational-wave spectrum of equal-mass binary neutron-star mergers. Using noise-free spectra from…

General Relativity and Quantum Cosmology · Physics 2026-05-26 Dimitrios Pesios , Nikolaos Stergioulas

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou

We propose a spectrally normalized surrogate for forward and inverse mechanical homogenization with hard physical guarantees. Leveraging the Voigt-Reuss bounds, we factor their difference via a Cholesky-like operator and learn a…

Machine Learning · Computer Science 2026-02-05 Sanath Keshav , Felix Fritzen

Spinodoid architected materials have drawn significant attention due to their unique nature in stochasticity, aperiodicity, and bi-continuity. Compared to classic periodic truss-, beam- and plate-based lattice architectures, spinodoids are…

Computational Engineering, Finance, and Science · Computer Science 2025-10-16 Shiguang Deng , Doksoo Lee , Aaditya Chandrasekhar , Stefan Knapik , Liwei Wang , Horacio D. Espinosa , Wei Chen

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

Predicting measurement outcomes from an underlying structure often follows directly from fundamental physical principles. However, a fundamental challenge is posed when trying to solve the inverse problem of inferring the underlying…

We consider the problem of constructing surrogate operators for parameter-to-solution maps arising from parametric partial differential equations, where repeated forward model evaluations are computationally expensive. We present a…

Machine Learning · Computer Science 2026-04-02 Josephine Westermann , Benno Huber , Thomas O'Leary-Roseberry , Jakob Zech

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

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

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai