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We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Computational Physics · Physics 2021-01-29 Massimiliano Lupo Pasini , Ying Wai Li , Junqi Yin , Jiaxin Zhang , Kipton Barros , Markus Eisenbach

Machine learning has made important headway in helping to improve the treatment of quantum many-body systems. A domain of particular relevance are correlated inhomogeneous systems. What has been missing so far is a general, scalable…

Quantum Physics · Physics 2026-02-10 Alex Blania , Sandro Herbig , Fabian Dechent , Evert van Nieuwenburg , Florian Marquardt

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

Negatively charged boron vacancies ($\mathrm{V_B^-}$) in hexagonal boron nitride (hBN) are emerging as promising solid-state spin qubits due to their optical accessibility, structural simplicity, and compatibility with photonic platforms.…

In Integrated Sensing And Communication (ISAC) systems, estimating the micro-Doppler (mD) spectrogram of a target requires combining channel estimates retrieved from communication with ad-hoc sensing packets, which cope with the sparsity of…

Signal Processing · Electrical Eng. & Systems 2024-12-05 Federico Mason , Jacopo Pegoraro

We present a benchmark designed to evaluate the predictive capabilities of universal machine learning interatomic potentials across systems of varying dimensionality. Specifically, our benchmark tests zero- (molecules, atomic clusters,…

Materials Science · Physics 2025-08-22 Giulio Benedini , Antoine Loew , Matti Hellstrom , Silvana Botti , Miguel A. L. Marques

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these…

Materials Science · Physics 2024-05-08 Lorenzo Bastonero , Nicola Marzari

This article presents a physics-informed deep learning method for the quantitative estimation of the spatial coordinates of gamma interactions within a monolithic scintillator, with a focus on Positron Emission Tomography (PET) imaging. A…

Two-dimensional electronic spectroscopy has become one of the main experimental tools for analyzing the dynamics of excitonic energy transfer in large molecular complexes. Simplified theoretical models are usually employed to extract model…

Chemical Physics · Physics 2019-01-17 Mirta Rodríguez , Tobias Kramer

We demonstrate a first example for employing deep learning in predicting frame errors for a Collaborative Intelligent Radio Network (CIRN) using a dataset collected during participation in the final scrimmages of the DARPA SC2 challenge.…

Signal Processing · Electrical Eng. & Systems 2020-12-29 Abu Shafin Mohammad Mahdee Jameel , Ahmed P. Mohamed , Xiwen Zhang , Aly El Gamal

We consider deep learning strategies in ultrasound systems, from the front-end to advanced applications. Our goal is to provide the reader with a broad understanding of the possible impact of deep learning methodologies on many aspects of…

Signal Processing · Electrical Eng. & Systems 2019-07-30 Ruud JG van Sloun , Regev Cohen , Yonina C Eldar

Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

Point defects, though atomically small, significantly influence the properties of 2D materials. A general method for characterizing point defect density ($n_{ D }$) in graphenic materials with arbitrary layer number ($n_{ L }$) is currently…

We report the development of deep learning coherent electron diffractive imaging at sub-angstrom resolution using convolutional neural networks (CNNs) trained with only simulated data. We experimentally demonstrate this method by applying…

Materials Science · Physics 2022-04-19 Dillan J. Chang , Colum M. O'Leary , Cong Su , Salman Kahn , Alex Zettl , Jim Ciston , Peter Ercius , Jianwei Miao

Here we present a new non-parametric approach to density estimation and classification derived from theory in Radon transforms and image reconstruction. We start by constructing a "forward problem" in which the unknown density is mapped to…

Numerical Analysis · Mathematics 2024-12-20 James Webber , Erika Hussey , Eric Miller , Shuchin Aeron

We present a systematic experimental and theoretical study of the two-phonon (2D) Raman scattering in graphene under uniaxial tension. The external perturbation unveils that the 2D mode excited with 785nm has a complex line-shape mainly due…

In this paper, deep learning-based approach for the design of radar absorbing structure using resistive frequency selective surface is proposed. In the present design, reflection coefficient is used as input of deep learning model and the…

Machine Learning · Computer Science 2025-02-27 Vijay Kumar Sutrakar , Nikhil Morge , Anjana PK , Abhilash PV

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert
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