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The Electron Localization Function (ELF) by Becke and Edgecombe [J. Chem. Phys. {\bf 92}, 5397 (1990)] is routinely adopted as a descriptor of atomic shells and covalent bonds. Since the ELF and its related quantities find useful…

Materials Science · Physics 2018-08-29 Stefano Pittalis , Daniele Varsano , Alain Delgado , Carlo Andrea Rozzi

Autoencoder can give rise to an appropriate latent representation of the input data, however, the representation which is solely based on the intrinsic property of the input data, is usually inferior to express some semantic information. A…

Machine Learning · Computer Science 2022-06-01 Yurui Ming , Cuihuan Du , Chin-Teng Lin

Autoencoders are widely used in machine learning applications, in particular for anomaly detection. Hence, they have been introduced in high energy physics as a promising tool for model-independent new physics searches. We scrutinize the…

High Energy Physics - Phenomenology · Physics 2021-07-15 Thorben Finke , Michael Krämer , Alessandro Morandini , Alexander Mück , Ivan Oleksiyuk

Two-dimensional atomic crystals can radically change their properties in response to external influences such as substrate orientation or strain, resulting in essentially new materials in terms of the electronic structure. A striking…

Metamaterials, artificially structured electromagnetic (EM) materials, have enabled the realization of many unconventional electromagnetic properties not found in nature, such as negative refractive index, magnetic response, invisibility…

Optics · Physics 2018-01-03 Weixuan Zhang , Kaiyang Cheng , Chao Wu , Yi Wang , Hongqiang Li , Xiangdong Zhang

High-quality data accumulation is now becoming ubiquitous in the health domain. There is increasing opportunity to exploit rich data from normal subjects to improve supervised estimators in specific diseases with notorious data scarcity. We…

Machine Learning · Computer Science 2021-10-13 Marc-Andre Schulz , Bertrand Thirion , Alexandre Gramfort , Gaël Varoquaux , Danilo Bzdok

Scientific archives now contain hundreds of petabytes of data across genomics, ecology, climate, and molecular biology that could reveal undiscovered patterns if systematically analyzed at scale. Large-scale, weakly-supervised datasets in…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Samuel Stevens , Jacob Beattie , Tanya Berger-Wolf , Yu Su

We propose Material Fingerprinting, a new method for the rapid discovery of mechanical material models from direct or indirect data that avoids solving potentially non-convex optimization problems. The core assumption of Material…

Computational Engineering, Finance, and Science · Computer Science 2025-12-09 Moritz Flaschel , Denisa Martonová , Carina Veil , Ellen Kuhl

A disentangled representation of a data set should be capable of recovering the underlying factors that generated it. One question that arises is whether using Euclidean space for latent variable models can produce a disentangled…

Machine Learning · Computer Science 2020-03-23 Luis A. Pérez Rey

With recent developments in smart technologies, there has been a growing focus on the use of artificial intelligence and machine learning for affective computing to further enhance the user experience through emotion recognition. Typically,…

Machine Learning · Computer Science 2020-08-26 Kyle Ross , Paul Hungler , Ali Etemad

Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…

Materials Science · Physics 2026-05-08 Christopher A. Bairnsfather , Ralph M. Kaufmann , Terry A. Loring , Alexander Cerjan

Atomic-scale variations in semiconductor heterostructures, arising from strain, interfaces, and compositional modulation, strongly influence electronic band dispersion but remain difficult to probe and compare using first-principles methods…

Materials Science · Physics 2026-03-09 Artem K Pimachev , Sanghamitra Neogi

Microstructure is key to controlling and understanding the properties of metallic materials, but traditional approaches to describing microstructure capture only a small number of features. To enable data-centric approaches to materials…

Certain lattices with specific geometries have one or more spectral bands that are strictly flat, i.e. the electron energy is independent of the momentum. This can occur robustly irrespective of the specific couplings between the lattices…

Mesoscale and Nanoscale Physics · Physics 2021-01-01 Md Nurul Huda , Shawulienu Kezilebieke , Peter Liljeroth

The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material itself, or by environmental screening from the surrounding medium. The…

Unsupervised spoken term discovery consists of two tasks: finding the acoustic segment boundaries and labeling acoustically similar segments with the same labels. We perform segmentation based on the assumption that the frame feature…

Audio and Speech Processing · Electrical Eng. & Systems 2020-07-28 Saurabhchand Bhati , Jesús Villalba , Piotr Żelasko , Najim Dehak

Flat-band topologies and localizations in non-interacting systems are extensively studied in different quantum and classical-wave systems. Recently, the exploration on the novel physics of flat-band localizations and topologies in…

Mesoscale and Nanoscale Physics · Physics 2023-02-08 Xiaoqi Zhou , Weixuan Zhang , Houjun Sun , Xiangdong Zhang

Angle-resolved photoelectron spectroscopy is an extremely powerful probe of materials to access the occupied electronic structure with energy and momentum resolution. However, it remains blind to those dynamic states above the Fermi level…

Flat bands underlie a diverse range of quantum phenomena, from strongly correlated phases to superconductivity. We theoretically establish that a two-dimensional electron gas under a linear magnetic-field gradient and a transverse electric…

Materials Science · Physics 2026-05-26 You-Ting Huang , Chao-Cheng Kaun , Ching-Hao Chang

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