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The traditional approach of hand-crafting priors (such as sparsity) for solving inverse problems is slowly being replaced by the use of richer learned priors (such as those modeled by generative adversarial networks, or GANs). In this work,…

Machine Learning · Computer Science 2018-10-09 Chinmay Hegde

In this Perspective, we highlight several recent studies that illustrate how inverse strategies using appropriate physical models and computational methods can address complex materials design questions.

Materials Science · Physics 2014-07-15 Avni Jain , Jonathan A. Bollinger , Thomas M. Truskett

Implicit generative models have the capability to learn arbitrary complex data distributions. On the downside, training requires telling apart real data from artificially-generated ones using adversarial discriminators, leading to unstable…

Machine Learning · Computer Science 2024-02-27 José Manuel de Frutos , Pablo M. Olmos , Manuel A. Vázquez , Joaquín Míguez

Trajectory prediction is crucial to advance autonomous driving, improving safety, and efficiency. Although end-to-end models based on deep learning have great potential, they often do not consider vehicle dynamic limitations, leading to…

Robotics · Computer Science 2025-08-20 Alexander Fertig , Lakshman Balasubramanian , Michael Botsch

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

The synthesis of a metasurface exhibiting a specific set of desired scattering properties is a time-consuming and resource-demanding process, which conventionally relies on many cycles of full-wave simulations. It requires an experienced…

Signal Processing · Electrical Eng. & Systems 2021-09-15 Parinaz Naseri , Sean V. Hum

Predict a new response from a covariate is a challenging task in regression, which raises new question since the era of high-dimensional data. In this paper, we are interested in the inverse regression method from a theoretical viewpoint.…

Statistics Theory · Mathematics 2018-07-10 Emilie Devijver , Emeline Perthame

The simulation of nanophotonic structures relies on electromagnetic solvers, which play a crucial role in understanding their behavior. However, these solvers often come with a significant computational cost, making their application in…

Machine Learning · Computer Science 2024-05-22 Liang Cheng , Prashant Singh , Francesco Ferranti

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

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit…

Machine Learning · Computer Science 2020-06-30 Yabo Dan , Yong Zhao , Xiang Li , Shaobo Li , Ming Hu , Jianjun Hu

We propose Deep Residual Mixture Models (DRMMs), a novel deep generative model architecture. Compared to other deep models, DRMMs allow more flexible conditional sampling: The model can be trained once with all variables, and then used for…

Machine Learning · Computer Science 2021-07-22 Perttu Hämäläinen , Martin Trapp , Tuure Saloheimo , Arno Solin

Conventional meta-atom designs rely heavily on researchers' prior knowledge and trial-and-error searches using full-wave simulations, resulting in time-consuming and inefficient processes. Inverse design methods based on optimization…

Machine Learning · Computer Science 2023-12-11 Zezhou Zhang , Chuanchuan Yang , Yifeng Qin , Hao Feng , Jiqiang Feng , Hongbin Li

Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by…

Machine Learning · Computer Science 2022-03-10 Wei Wayne Chen , Doksoo Lee , Wei Chen

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

We propose a real-time image matching framework, which is hybrid in the sense that it uses both hand-crafted features and deep features obtained from a well-tuned deep convolutional network. The matching problem, which we concentrate on, is…

Computer Vision and Pattern Recognition · Computer Science 2020-06-11 Alper Kaplan , Erdem Akagunduz

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

Inverse design aims to design the input variables of a physical system to optimize a specified objective function, typically formulated as a search or optimization problem. However, in 3D domains, the design space grows exponentially,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-11 Yuze Hao , Linchao Zhu , Yi Yang

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

Optimization and Control · Mathematics 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang

When solving inverse problems in geophysical imaging, deep generative models (DGMs) may be used to enforce the solution to display highly structured spatial patterns which are supported by independent information (e.g. the geological…

Geophysics · Physics 2021-04-28 Jorge Lopez-Alvis , Eric Laloy , Frédéric Nguyen , Thomas Hermans
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