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Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations. To address this, enhanced sampling methods have been developed to improve exploration of…

Statistical Mechanics · Physics 2023-06-19 Shams Mehdi , Zachary Smith , Lukas Herron , Ziyue Zou , Pratyush Tiwary

The inverse design of optical metasurfaces is a rapidly emerging field that has already shown great promise in miniaturizing conventional optics as well as developing completely new optical functionalities. Such a design process relies on…

Optics · Physics 2020-08-26 Maksym V. Zhelyeznyakov , Steven L. Brunton , Arka Majumdar

The electric grid is a key enabling infrastructure for the ambitious transition towards carbon neutrality as we grapple with climate change. With deepening penetration of renewable energy resources and electrified transportation, the…

Machine Learning · Computer Science 2022-05-24 Xiangtian Zheng , Nan Xu , Loc Trinh , Dongqi Wu , Tong Huang , S. Sivaranjani , Yan Liu , Le Xie

Advanced neural interfaces are transforming applications ranging from neuroscience research to diagnostic tools (for mental state recognition, tremor and seizure detection) as well as prosthetic devices (for motor and communication…

Artificial Intelligence · Computer Science 2025-05-06 MohammadAli Shaeri , Jinhan Liu , Mahsa Shoaran

Innovation in the physical layer of communication systems has traditionally been achieved by breaking down the transceivers into sets of processing blocks, each optimized independently based on mathematical models. Conversely, deep learning…

Information Theory · Computer Science 2022-05-04 Mathieu Goutay

Standard microscopes offer a variety of settings to help improve the visibility of different specimens to the end microscope user. Increasingly, however, digital microscopes are used to capture images for automated interpretation by…

Image and Video Processing · Electrical Eng. & Systems 2020-10-14 Kanghyun Kim , Pavan Chandra Konda , Colin L. Cooke , Ron Appel , Roarke Horstmeyer

While deep learning methods have achieved impressive success in many vision benchmarks, it remains difficult to understand and explain the representations and decisions of these models. Though vision models are typically trained on 2D…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Benjamin Beilharz , Thomas S. A. Wallis

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

Beam selection for millimeter-wave links in a vehicular scenario is a challenging problem, as an exhaustive search among all candidate beam pairs cannot be assuredly completed within short contact times. We solve this problem via a novel…

Deep learning is having a tremendous impact in many areas of computer science and engineering. Motivated by this success, deep neural networks are attracting an increasing attention in many other disciplines, including physical sciences. In…

Automotive Cyber-Physical Systems (ACPS) have attracted a significant amount of interest in the past few decades, while one of the most critical operations in these systems is the perception of the environment. Deep learning and,…

Computer Vision and Pattern Recognition · Computer Science 2021-07-21 Stavros Nousias , Erion-Vasilis Pikoulis , Christos Mavrokefalidis , Aris S. Lalos

This study focuses on solving the numerical challenges of imposing absorbing boundary conditions for dynamic simulations in the material point method (MPM). To attenuate elastic waves leaving the computational domain, the current work…

Geophysics · Physics 2025-01-24 Jun Kurima , Bodhinanda Chandra , Kenichi Soga

Machine learning (ML) techniques have been demonstrated to improve the accuracy and efficiency of anomaly detection (AD) when compared to conventional methods. This has led to the adoption of ML for data quality monitoring (DQM) use cases…

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Machine Learning · Computer Science 2025-05-28 Daniil A. Boiko , Thiago Reschützegger , Benjamin Sanchez-Lengeling , Samuel M. Blau , Gabe Gomes

To improve the performance-critical stability and brightness of the electron bunch at injection into the proton-driven plasma wakefield at the AWAKE CERN experiment, automation approaches based on unsupervised Machine Learning (ML) were…

Neural rendering is a new image and video generation method based on deep learning. It combines the deep learning model with the physical knowledge of computer graphics, to obtain a controllable and realistic scene model, and realize the…

Graphics · Computer Science 2024-02-02 Xinkai Yan , Jieting Xu , Yuchi Huo , Hujun Bao

Deep neural networks have become a foundational tool for addressing imaging inverse problems. They are typically trained for a specific task, with a supervised loss to learn a mapping from the observations to the image to recover. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Matthieu Terris , Thomas Moreau

Rapidly applying the effects of detector response to physics objects (e.g. electrons, muons, showers of particles) is essential in high energy physics. Currently available tools for the transformation from truth-level physics objects to…

Data Analysis, Statistics and Probability · Physics 2020-07-07 D. Benjamin , S. V. Chekanov , W. Hopkins , Y. Li , J. R. Love

Cutting edge deep learning techniques allow for image segmentation with great speed and accuracy. However, application to problems in materials science is often difficult since these complex models may have difficultly learning physical…

Image and Video Processing · Electrical Eng. & Systems 2019-12-13 James P. Horwath , Dmitri N. Zakharov , Remi Megret , Eric A. Stach