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Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Materials Science · Physics 2021-05-06 April M. Miksch , Tobias Morawietz , Johannes Kästner , Alexander Urban , Nongnuch Artrith

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

Quantum convolutional neural networks (QCNNs) are quantum circuits for characterizing complex quantum states. They have been proposed for recognizing quantum phases of matter at low sampling cost and have been designed for condensed matter…

Quantum Physics · Physics 2025-11-11 Leon C. Sander , Nathan A. McMahon , Petr Zapletal , Michael J. Hartmann

In this Letter we supervisedly train neural networks to distinguish different topological phases in the context of topological band insulators. After training with Hamiltonians of one-dimensional insulators with chiral symmetry, the neural…

Mesoscale and Nanoscale Physics · Physics 2018-05-31 Pengfei Zhang , Huitao Shen , Hui Zhai

The phase transition of the two-dimensional $U(1)$ quantum link model on the triangular lattice is investigated by employing a supervised neural network (NN) consisting of only one input layer, one hidden layer of two neurons, and one…

High Energy Physics - Lattice · Physics 2023-08-23 Jhao-Hong Peng , Yuan-Heng Tseng , Fu-Jiun Jiang

Learning many-body quantum states and quantum phase transitions remains a major challenge in quantum many-body physics. Classical machine learning methods offer certain advantages in addressing these difficulties. In this work, we propose a…

Quantum Physics · Physics 2026-02-03 Xin Li , Zhang-Qi Yin

Deep learning models are used in critical applications, in which mistakes can have serious consequences. Therefore, it is crucial to understand how and why models generate predictions. This understanding provides useful information to check…

Recently, neural networks (NNs) have become a powerful tool for detecting quantum phases of matter. Unfortunately, NNs are black boxes and only identify phases without elucidating their properties. Novel physics benefits most from insights…

Quantum Physics · Physics 2024-11-05 Kacper Cybiński , James Enouen , Antoine Georges , Anna Dawid

As the rapidly evolving field of machine learning continues to produce incredibly useful tools and models, the potential for quantum computing to provide speed up for machine learning algorithms is becoming increasingly desirable. In…

Quantum Physics · Physics 2024-04-02 Anthony M. Smaldone , Gregory W. Kyro , Victor S. Batista

A number of tools have been developed to detect topological phase transitions in strongly correlated quantum systems. They apply under different conditions, but do not cover the full range of many-body models. It is hence desirable to…

Strongly Correlated Electrons · Physics 2021-01-05 Sourav Manna , N. S. Srivatsa , Julia Wildeboer , Anne E. B. Nielsen

Quantum computing crucially relies on the ability to efficiently characterize the quantum states output by quantum hardware. Conventional methods which probe these states through direct measurements and classically computed correlations…

We show that in addition to providing effective and competitive closures, when analysed in terms of dynamics and physically-relevant diagnostics, artificial neural networks (ANNs) can be both interpretable and provide useful insights in the…

Computational Physics · Physics 2020-12-30 Gavin D. Portwood , Balasubramanya T. Nadiga , Juan A. Saenz , Daniel Livescu

The applicability of artificial neural networks (ANNs) is typically limited to the models they are trained with and little is known about their generalizability, which is a pressing issue in the practical application of trained ANNs to…

Disordered Systems and Neural Networks · Physics 2022-08-09 Hon Man Yau , Nan Su

The classification of phases and the detection of phase transitions are central and challenging tasks in diverse fields. Within physics, it relies on the identification of order parameters and the analysis of singularities in the free…

We implement a computational pipeline based on a recent machine learning technique, namely the Topological Data Analysis (TDA), that has the capability of extracting powerful information-carrying topological features. We apply such a method…

Strongly Correlated Electrons · Physics 2025-03-11 Andrea Tirelli , Natanael C. Costa

Quantum machine learning offers a promising advantage in extracting information about quantum states, e.g. phase diagram. However, access to training labels is a major bottleneck for any supervised approach, preventing getting insights…

Quantum Physics · Physics 2023-02-13 Saverio Monaco , Oriel Kiss , Antonio Mandarino , Sofia Vallecorsa , Michele Grossi

Neural networks are powerful function approximators, yet their ``black-box" nature often renders them opaque and difficult to interpret. While many post-hoc explanation methods exist, they typically fail to capture the underlying reasoning…

Machine Learning · Computer Science 2024-08-29 Nisal Ranasinghe , Yu Xia , Sachith Seneviratne , Saman Halgamuge

The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…

This paper proposes a brain-inspired approach to quantum machine learning with the goal of circumventing many of the complications of other approaches. The fact that quantum processes are unitary presents both opportunities and challenges.…

Machine Learning · Computer Science 2019-05-16 Bruce MacLennan

Machine learning has emerged as a promising approach to study the properties of many-body systems. Recently proposed as a tool to classify phases of matter, the approach relies on classical simulation methods$-$such as Monte Carlo$-$which…

Quantum Physics · Physics 2020-07-17 Alexey Uvarov , Andrey Kardashin , Jacob Biamonte