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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…

This work is concerned with the following fundamental question in scientific machine learning: Can deep-learning-based methods solve noise-free inverse problems to near-perfect accuracy? Positive evidence is provided for the first time,…

Image and Video Processing · Electrical Eng. & Systems 2022-07-13 Martin Genzel , Ingo Gühring , Jan Macdonald , Maximilian März

In the past five years, deep learning methods have become state-of-the-art in solving various inverse problems. Before such approaches can find application in safety-critical fields, a verification of their reliability appears mandatory.…

Machine Learning · Computer Science 2023-01-18 Martin Genzel , Jan Macdonald , Maximilian März

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a…

Machine Learning · Computer Science 2025-07-21 Aileen Luo , Tao Zhou , Ming Du , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

Subwavelength photonic structures and metamaterials provide revolutionary approaches for controlling light. The inverse design methods proposed for these subwavelength structures are vital to the development of new photonic devices.…

Models for image representation learning are typically designed for either recognition or generation. Various forms of contrastive learning help models learn to convert images to embeddings that are useful for classification, detection, and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 Matthew Gwilliam , Xiao Wang , Xuefeng Hu , Zhenheng Yang

Inverse design techniques in the context of nanophotonics have helped in discovery of compact and counter-intuitive structures/shapes. We introduce the concept of spectral domain inverse design to search through the optical trade-space…

Optics · Physics 2021-04-12 Ashwin K. Boddeti , Abubakr Alabassi , Vaneet Aggarwal , Zubin Jacob

Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can…

Materials Science · Physics 2026-05-19 Xiao-Qi Han , Peng-Jie Guo , Ze-Feng Gao , Hao Sun , Zhong-Yi Lu

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba

To accelerate materials discovery using self-driving labs (SDLs), we present a machine learning pipeline that predicts the electrical conductivity of doped conjugated polymers using rapid, non-destructive optical spectroscopy. Our approach…

Climate models play a critical role in understanding and projecting climate change. Due to their complexity, their horizontal resolution of about 40-100 km remains too coarse to resolve processes such as clouds and convection, which need to…

Machine Learning · Computer Science 2025-03-18 Birgit Kühbacher , Fernando Iglesias-Suarez , Niki Kilbertus , Veronika Eyring

Image colorization is a challenging problem due to multi-modal uncertainty and high ill-posedness. Directly training a deep neural network usually leads to incorrect semantic colors and low color richness. While transformer-based methods…

Computer Vision and Pattern Recognition · Computer Science 2023-09-06 Xiaoyang Kang , Tao Yang , Wenqi Ouyang , Peiran Ren , Lingzhi Li , Xuansong Xie

Optical devices lie at the heart of most of the technology we see around us. When one actually wants to make such an optical device, one can predict its optical behavior using computational simulations of Maxwell's equations. If one then…

Machine Learning · Computer Science 2022-02-09 Joeri Lenaerts , Hannah Pinson , Vincent Ginis

By mapping iterative optimization algorithms into neural networks (NNs), deep unfolding networks (DUNs) exhibit well-defined and interpretable structures and achieve remarkable success in the field of compressive sensing (CS). However, most…

Computer Vision and Pattern Recognition · Computer Science 2025-05-26 Weiqi Li , Bin Chen , Shuai Liu , Shijie Zhao , Bowen Du , Yongbing Zhang , Jian Zhang

Understanding the mechanisms underlying deep neural networks remains a fundamental challenge in machine learning and computer vision. One promising, yet only preliminarily explored approach, is feature inversion, which attempts to…

Computer Vision and Pattern Recognition · Computer Science 2025-08-15 Jan Rathjens , Shirin Reyhanian , David Kappel , Laurenz Wiskott

Machine learning techniques, notably various deep neural network methods, are instrumental in processing extensive and intricate data sets in engineering and scientific fields. This paper shows how deep neural networks can inversely design…

Optics · Physics 2026-05-05 Ali Mohajer Hejazi , Vincent Ginis

Deep neural networks (DNNs) have achieved remarkable success in computer vision tasks such as image classification, segmentation, and object detection. However, they are vulnerable to adversarial attacks, which can cause incorrect…

Computer Vision and Pattern Recognition · Computer Science 2025-11-03 Suklav Ghosh , Sonal Kumar , Arijit Sur

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson