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The life of the modern world essentially depends on the work of the large artificial homogeneous networks, such as wired and wireless communication systems, networks of roads and pipelines. The support of their effective continuous…

Optimization and Control · Mathematics 2017-01-25 Dmitry Yu. Ignatov , Alexander N. Filippov , Andrey D. Ignatov , Xuecang Zhang

Optical multiplexing is a key technique that enhances the capacity of optical systems by independently modulating various optical parameters to carry distinct information. Among these parameters, wavelength, polarization, and angle are the…

Optics · Physics 2024-08-20 Rui Wei , Hongsheng Shi , Boyou Wang , Baojun Li , Yanjun Bao

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He

Machines enabled the Industrial Revolution and are central to modern technological progress: A machine's parts transmit forces, motion, and energy to one another in a predetermined manner. Today's engineering frontier, building artificial…

Soft Condensed Matter · Physics 2021-11-18 A. Aubret , Q. Martinet , J. Palacci

Learning to reliably perceive and understand the scene is an integral enabler for robots to operate in the real-world. This problem is inherently challenging due to the multitude of object types as well as appearance changes caused by…

Computer Vision and Pattern Recognition · Computer Science 2021-11-05 Abhinav Valada , Rohit Mohan , Wolfram Burgard

Mult-layered meta-optics have enabled complex wavefront shaping beyond their single layer counterpart owing to the additional design variables afforded by each plane. For instance, complex amplitude modulation, generalized polarization…

Optics · Physics 2024-09-26 Ahmed H. Dorrah , Joon-Suh Park , Alfonso Palmieri , Federico Capasso

Many phenomena in physics, including light, water waves, and sound, are described by wave equations. Given their coefficients, wave equations can be solved to high accuracy, but the presence of the wavelength scale often leads to large…

Computational Physics · Physics 2025-02-19 Timo Gahlmann , Philippe Tassin

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation…

Machine Learning · Computer Science 2023-10-10 Qiying Yu , Yudi Zhang , Yuyan Ni , Shikun Feng , Yanyan Lan , Hao Zhou , Jingjing Liu

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

Materials Science · Physics 2022-04-05 Heejung Chung , Rodrigo Freitas , Gowoon Cheon , Evan J. Reed

Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…

Materials Science · Physics 2026-01-21 Lorenzo Piersante , Anirudh Raju Natarajan

Metasurfaces can be designed to achieve prescribed functionality. Careful meta-atom design and arrangement achieve homogeneous and inhomogeneous layouts that can enable exceptional capabilities to manipulate incident waves. Inherently, the…

Machine learning has the potential to automate molecular design and drastically accelerate the discovery of new functional compounds. Towards this goal, generative models and reinforcement learning (RL) using string and graph…

Machine Learning · Computer Science 2022-02-02 Daniel Flam-Shepherd , Alexander Zhigalin , Alán Aspuru-Guzik

In this article, we report, for the first time, broadband multifunctional metasurfaces with more than four distinct functionalities. The constituent meta-atoms combine two different phase change materials, $\mathrm{VO_2}$ and…

Many vision-related tasks benefit from reasoning over multiple modalities to leverage complementary views of data in an attempt to learn robust embedding spaces. Most deep learning-based methods rely on a late fusion technique whereby…

Computer Vision and Pattern Recognition · Computer Science 2020-03-04 Austin Reiter , Menglin Jia , Pu Yang , Ser-Nam Lim

Efficient and versatile interfaces for the interaction of light with matter are an essential cornerstone for quantum science. A fundamentally new avenue of controlling light-matter interactions has been recently proposed based on the rich…

One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formidable challenge to any simulation…

Materials Science · Physics 2017-08-28 Sebastian E. Ahnert , William P. Grant , Chris J. Pickard

Innovation in nanophotonics currently relies on human experts who synergize specialized knowledge in photonics and coding with simulation and optimization algorithms, entailing design cycles that are time-consuming, computationally…

Applied Physics · Physics 2025-03-27 Robert Lupoiu , Yixuan Shao , Tianxiang Dai , Chenkai Mao , Kofi Edee , Jonathan A. Fan

We study theoretically and experimentally a novel type of metamaterial with hybrid elements composed of twisted pairs of cross-shaped meta-atoms and their complements. We reveal that such two-layer metasurfaces demonstrate large,…

Optics · Physics 2015-06-18 Kirsty Hannam , David A. Powell , Ilya V. Shadrivov , Yuri S. Kivshar

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

Accurate prediction of the physicochemical properties of molecular mixtures using graph neural networks remains a significant challenge, as it requires simultaneous embedding of intramolecular interactions while accounting for mixture…

Chemical Physics · Physics 2026-03-04 Jinming Fan , Chao Qian , Wilhelm T. S. Huck , William E. Robinson , Shaodong Zhou