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In this work, we use artificial neural networks (ANNs) to recognize the material composition, sizes of nanoparticles and their concentrations in different media with high accuracy, solely from the absorbance spectrum of a macroscopic…

Topological materials exhibit unique electronic structures that underpin both fundamental quantum phenomena and next-generation technologies, yet their discovery remains constrained by the high computational cost of first-principles…

Materials Science · Physics 2025-12-16 Xinyu Xu , Rajibul Islam , Ghulam Hussain , Yangming Huang , Xiaoguang Li , Pavlo O. Dral , Arif Ullah , Ming Yang

Atomistic machine learning (ML) is a powerful tool for accurate and efficient investigation of material behavior at the atomic scale. While such models have been constructed within Cartesian space to harness geometric information and…

Materials Science · Physics 2026-04-29 Qun Chen , A. S. L. Subrahmanyam Pattamatta , Boyu Wang , David J. Srolovitz , Mingjian Wen

Noise is a major obstacle in current quantum computing, and Machine Learning for Quantum Error Mitigation (ML-QEM) promises to address this challenge, enhancing computational accuracy while reducing the sampling overheads of standard QEM…

Quantum Physics · Physics 2025-01-09 Xiao-Yue Xu , Xin Xue , Tianyu Chen , Chen Ding , Tian Li , Haoyi Zhou , He-Liang Huang , Wan-Su Bao

At the intersection of machine learning and quantum computing, Quantum Machine Learning (QML) has the potential of accelerating data analysis, especially for quantum data, with applications for quantum materials, biochemistry, and…

Quantum Physics · Physics 2023-03-17 M. Cerezo , Guillaume Verdon , Hsin-Yuan Huang , Lukasz Cincio , Patrick J. Coles

Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work has shown impressive…

Machine Learning · Computer Science 2023-02-02 Astrid Klipfel , Olivier Peltre , Najwa Harrati , Yaël Fregier , Adlane Sayede , Zied Bouraoui

Detection of entangled states is essential in both fundamental and applied quantum physics. However, this task proves to be challenging especially for general quantum states. One can execute full state tomography but this method is time…

Quantum Physics · Physics 2021-05-12 Jan Roik , Karol Bartkiewicz , Antonín Černoch , Karel Lemr

Neural networks are a promising tool for characterizing intermediate-scale quantum devices from limited amounts of measurement data. A challenging problem in this area is to learn the action of an unknown quantum process on an ensemble of…

Quantum Physics · Physics 2023-12-06 Yan Zhu , Ya-Dong Wu , Qiushi Liu , Yuexuan Wang , Giulio Chiribella

Quantum machine learning (QML) is a promising early use case for quantum computing. There has been progress in the last five years from theoretical studies and numerical simulations to proof of concepts. Use cases demonstrated on…

Quantum Physics · Physics 2024-04-30 Daniel Goldsmith , M M Hassan Mahmud

As ultracold atom experiments become highly controlled and scalable quantum simulators, they require sophisticated control over high-dimensional parameter spaces and generate increasingly complex measurement data that need to be analyzed…

Quantum Gases · Physics 2025-09-11 Henning Schlömer , Annabelle Bohrdt

With the maturation of quantum computing technology, research has gradually shifted towards exploring its applications. Alongside the rise of artificial intelligence, various machine learning methods have been developed into quantum…

Quantum Physics · Physics 2025-03-14 Abel C. H. Chen

Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of…

Strongly Correlated Electrons · Physics 2026-01-08 Yunhao Fan , Gia-Wei Chern

While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a test set alone is not a guarantee for robust chemical modeling…

The rapid progress in quantum computing (QC) and machine learning (ML) has attracted growing attention, prompting extensive research into quantum machine learning (QML) algorithms to solve diverse and complex problems. Designing…

Quantum Physics · Physics 2025-01-13 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

The phenomena of Spectral Bias, where the higher frequency components of a function being learnt in a feedforward Artificial Neural Network (ANN) are seen to converge more slowly than the lower frequencies, is observed ubiquitously across…

Machine Learning · Computer Science 2023-07-20 Kaumudi Joshi , Vukka Snigdha , Arya Kumar Bhattacharya

Detecting the subtle yet phase defining features in Scanning Tunneling Microscopy and Spectroscopy data remains an important challenge in quantum materials. We meet the challenge of detecting nematic order from local density of states data…

Disordered Systems and Neural Networks · Physics 2020-06-18 Jeremy B. Goetz , Yi Zhang , Michael J. Lawler

Condensed Matter Physics (CMP) seeks to understand the microscopic interactions of matter at the quantum and atomistic levels, and describes how these interactions result in both mesoscopic and macroscopic properties. CMP overlaps with many…

Computational Physics · Physics 2020-11-12 Edwin A. Bedolla-Montiel , Luis Carlos Padierna , Ramón Castañeda-Priego

Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Materials Science · Physics 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

Modelling the complex physics of the Interstellar Medium (ISM) in the context of large-scale numerical simulations is a challenging task. A number of methods have been proposed to embed a description of the ISM into different codes. We…

Instrumentation and Methods for Astrophysics · Physics 2011-03-03 T. Grassi , E. Merlin , L. Piovan , U. Buonomo , C. Chiosi

Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text, and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum…