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Machine learning has emerged as an attractive alternative to experiments and simulations for predicting material properties. Usually, such an approach relies on specific domain knowledge for feature design: each learning target requires…

Materials Science · Physics 2020-03-10 Aditi S. Krishnapriyan , Maciej Haranczyk , Dmitriy Morozov

Machine learning (ML) and Deep Learning (DL) methods are being adopted rapidly, especially in computer network security, such as fraud detection, network anomaly detection, intrusion detection, and much more. However, the lack of…

Machine Learning · Computer Science 2021-12-17 Khushnaseeb Roshan , Aasim Zafar

Two-dimensional electronic spectroscopy (2DES) has enabled significant discoveries in both biological and synthetic energy-transducing systems. Although deriving chemical information from 2DES is a complex task, machine learning (ML) offers…

Chemical Physics · Physics 2025-03-21 Jonathan D. Schultz , Kelsey A. Parker , Bashir Sbaiti , David N. Beratan

Inferring topological and geometrical information from data can offer an alternative perspective on machine learning problems. Methods from topological data analysis, e.g., persistent homology, enable us to obtain such information,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-19 Christoph Hofer , Roland Kwitt , Marc Niethammer , Andreas Uhl

Topological materials with unconventional electronic properties have been investigated intensively for both fundamental and practical interests. Thousands of topological materials have been identified by symmetry-based analysis and ab…

Materials Science · Physics 2024-01-26 Haosheng Xu , Yadong Jiang , Huan Wang , Jing Wang

Skin cancer is one of the most common cancers in the United States. As technological advancements are made, algorithmic diagnosis of skin lesions is becoming more important. In this paper, we develop algorithms for segmenting the actual…

Computer Vision and Pattern Recognition · Computer Science 2019-05-22 Yu-Min Chung , Chuan-Shen Hu , Austin Lawson , Clifford Smyth

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Mohamed Abdallah Salem , Hamdy Ahmed Ashur , Ahmed Elshinnawy

X-ray spectroscopy is one of the most powerful tools to access structure and properties of matter in different states of aggregation as it allows to trace atomic and molecular energy levels in course of various physical and chemical…

Chemical Physics · Physics 2019-06-12 Sergey I. Bokarev , Oliver Kühn

Mass spectrometry is a widespread approach to work out what are the constituents of a material. Atoms and molecules are removed from the material and collected, and subsequently, a critical step is to infer their correct identities based…

The electronic excitation occurring on adsorbates at ultrafast time scales from optical lasers that initiate surface chemical reactions is still an open question. Here, we report the ultrafast temporal evolution of X-ray absorption…

Although the richness of spatial symmetries has led to a rapidly expanding inventory of possible topological crystalline (TC) phases of electrons, physical realizations have been slow to materialize due to the practical difficulty to…

Mesoscale and Nanoscale Physics · Physics 2019-05-14 Feng Tang , Hoi Chun Po , Ashvin Vishwanath , Xiangang Wan

In artificial-intelligence-aided signal processing, existing deep learning models often exhibit a black-box structure, and their validity and comprehensibility remain elusive. The integration of topological methods, despite its relatively…

Machine Learning · Computer Science 2023-11-28 Pingyao Feng , Siheng Yi , Qingrui Qu , Zhiwang Yu , Yifei Zhu

Network security threats in embedded systems pose significant challenges to critical infrastructure protection. This paper presents a comprehensive framework combining ensemble learning methods with explainable artificial intelligence (XAI)…

Cryptography and Security · Computer Science 2026-04-20 Wanru Shao

Much attention has been devoted to the use of machine learning to approximate physical concepts. Yet, due to challenges in interpretability of machine learning techniques, the question of what physics machine learning models are able to…

The lack of theoretical understanding of X-Ray Absorption Near Edge Structure (XANES) spectroscopy makes the development of analysis tools for its study a necessity. Here, an algorithm for judicious choice of local minima and maxima points…

Materials Science · Physics 2020-07-01 Rafael Monteiro , Itsuki Miyazato , Keisuke Takahashi

Topologically ordered materials may serve as a platform for new quantum technologies such as fault-tolerant quantum computers. To fulfil this promise, efficient and general methods are needed to discover and classify new topological phases…

Quantum Physics · Physics 2019-08-28 Yurui Ming , Chin-Teng Lin , Stephen D. Bartlett , Wei-Wei Zhang

Determining the chemical structure for a single molecule on surface from spectroscopic data represents a challenging high-dimensional inverse problem. Tip-enhanced Raman spectroscopy (TERS) enables chemically specific imaging of single…

Chemical Physics · Physics 2026-03-24 Jie Cui , Yao Zhang , Yang Zhang , Yi Luo , Zhen-Chao Dong

Machine learning can reveal new insights into X-ray spectroscopy of liquids when the local atomistic environment is presented to the model in a suitable way. Many unique structural descriptor families have been developed for this purpose.…

Chemical Physics · Physics 2024-08-26 E. A. Eronen , A. Vladyka , Ch. J. Sahle , J. Niskanen

Reliable methods for the classification and quantification of quantum entanglement are fundamental to understanding its exploitation in quantum technologies. One such method, known as Separable Neural Network Quantum States (SNNS), employs…

Quantum Physics · Physics 2021-06-15 Cillian Harney , Mauro Paternostro , Stefano Pirandola