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A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented. Using a minimal set of input data determined…

Chemical Physics · Physics 2020-07-01 Michael C. McCarthy , Kin Long Kelvin Lee

Designing a neural network architecture for molecular representation is crucial for AI-driven drug discovery and molecule design. In this work, we propose a new framework for molecular representation learning. Our contribution is threefold:…

Machine Learning · Computer Science 2022-10-18 Jiye Kim , Seungbeom Lee , Dongwoo Kim , Sungsoo Ahn , Jaesik Park

In recent years, the development of nanophotonic devices has presented a revolutionary means to manipulate light at nanoscale. Recently, artificial neural networks (ANNs) have displayed powerful ability in the inverse design of nanophotonic…

Inverse rendering in a 3D format denoted to recovering the 3D properties of a scene given 2D input image(s) and is typically done using 3D Morphable Model (3DMM) based methods from single view images. These models formulate each face as a…

Computer Vision and Pattern Recognition · Computer Science 2017-09-01 Shima Kamyab , Ali Ghodsi , S. Zohreh Azimifar

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…

Autoencoder-based structures have dominated recent learned image compression methods. However, the inherent information loss associated with autoencoders limits their rate-distortion performance at high bit rates and restricts their…

Computer Vision and Pattern Recognition · Computer Science 2025-03-31 Hanyue Tu , Siqi Wu , Li Li , Wengang Zhou , Houqiang Li

Deep networks are powerful function approximators, but they typically store many different computations in shared weight matrices, making it difficult to selectively reuse or adapt parts of them when a familiar structure appears in novel…

Machine Learning · Computer Science 2026-05-28 Niclas Pokel , Benjamin F. Grewe

Non-Hermitian systems offer new platforms for unusual physical properties that can be flexibly manipulated by redistribution of the real and imaginary parts of refractive indices, whose presence breaks conventional wave propagation…

Optics · Physics 2022-04-29 W. W. Ahmed , M. Farhat , K. Staliunas , X. Zhang , Y. Wu

Data-driven methods have increasingly been applied to the development of optical systems as inexpensive and effective inverse design approaches. Optical properties (e.g., band-gap properties) of photonic crystals (PCs) are closely…

Optics · Physics 2022-02-01 Tao Zhan , Quan-Shan Liu , Lu Qiu , Yuan-Jie Sun , Tao Wen , Rui Zhang

Variational methods are widely applied to ill-posed inverse problems for they have the ability to embed prior knowledge about the solution. However, the level of performance of these methods significantly depends on a set of parameters,…

Optimization and Control · Mathematics 2020-01-23 Carla Bertocchi , Emilie Chouzenoux , Marie-Caroline Corbineau , Jean-Christophe Pesquet , Marco Prato

In this paper, we introduce a spectral-domain inverse filtering approach for single-channel speech de-reverberation using deep convolutional neural network (CNN). The main goal is to better handle realistic reverberant conditions where the…

Sound · Computer Science 2020-10-16 Hanwook Chung , Vikrant Singh Tomar , Benoit Champagne

The reconstruction of a high resolution image given a low resolution observation is an ill-posed inverse problem in imaging. Deep learning methods rely on training data to learn an end-to-end mapping from a low-resolution input to a…

Image and Video Processing · Electrical Eng. & Systems 2023-07-19 Iman Marivani , Evaggelia Tsiligianni , Bruno Cornelis , Nikos Deligiannis

A well-trained deep neural network is shown to gain capability of simultaneously restoring two kinds of images, which are completely destroyed by two distinct scattering medias respectively. The network, based on the U-net architecture, can…

Image and Video Processing · Electrical Eng. & Systems 2019-02-21 Mu Yang , Zheng-Hao Liu , Ze-Di Cheng , Jin-Shi Xu , Chuan-Feng Li , Guang-Can Guo

Relying on either deep models or physical models are two mainstream approaches for solving inverse sample reconstruction problems in programmable illumination computational microscopy. Solutions based on physical models possess strong…

Image and Video Processing · Electrical Eng. & Systems 2024-03-21 Ruiqing Sun , Delong Yang , Shaohui Zhang , Qun Hao

Assume you encounter an inverse problem that shall be solved for a large number of data, but no ground-truth data is available. To emulate this encounter, in this study, we assume it is unknown how to solve the imaging problem of Computed…

Recently, deep residual networks have been successfully applied in many computer vision and natural language processing tasks, pushing the state-of-the-art performance with deeper and wider architectures. In this work, we interpret deep…

Computer Vision and Pattern Recognition · Computer Science 2017-11-21 Bo Chang , Lili Meng , Eldad Haber , Lars Ruthotto , David Begert , Elliot Holtham

Complex nanophotonic structures hold the potential to deliver exquisitely tailored optical responses for a range of applications. Metal-insulator-metal (MIM) metasurfaces arranged in supercells, for instance, can be tailored by geometry and…

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

Data-driven quantitative defect reconstructions using ultrasonic guided waves has recently demonstrated great potential in the area of non-destructive testing. In this paper, we develop an efficient deep learning-based defect reconstruction…

Computational Engineering, Finance, and Science · Computer Science 2020-10-30 Qi Li , Dianzi Liu , Zhenghua Qian

We propose an end-to-end deep learning framework that comprehensively solves the inverse wave scattering problem across all length scales. Our framework consists of the newly introduced wide-band butterfly network coupled with a simple…

Numerical Analysis · Mathematics 2021-06-03 Matthew Li , Laurent Demanet , Leonardo Zepeda-Núñez