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Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are generally unfeasible for the accurate representation of…

Quantum Physics · Physics 2025-11-18 Choy Boy , Edoardo Altamura , Dilhan Manawadu , Ivano Tavernelli , Stefano Mensa , David J. Wales

Learning from Multivariate Time Series (MTS) has attracted widespread attention in recent years. In particular, label shortage is a real challenge for the classification task on MTS, considering its complex dimensional and sequential data…

Machine Learning · Computer Science 2021-10-12 Jingwei Zuo , Karine Zeitouni , Yehia Taher

Low-dose computed tomography (LDCT) reduces the X-ray radiation but compromises image quality with more noises and artifacts. A plethora of transformer models have been developed recently to improve LDCT image quality. However, the success…

Image and Video Processing · Electrical Eng. & Systems 2022-10-18 Dayang Wang , Yongshun Xu , Shuo Han , Hengyong Yu

We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…

Quantum Physics · Physics 2023-03-15 Benchen Huang , Nan Sheng , Marco Govoni , Giulia Galli

Extracting large amounts of data from biological samples is not feasible due to radiation issues, and image processing in the small-data regime is one of the critical challenges when working with a limited amount of data. In this work, we…

Machine Learning · Computer Science 2020-07-21 Varun Mannam , Arman Kazemi

Masked Autoencoding (MAE) has emerged as an effective approach for pre-training representations across multiple domains. In contrast to discrete tokens in natural languages, the input for image MAE is continuous and subject to additional…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Ronghang Hu , Shoubhik Debnath , Saining Xie , Xinlei Chen

Highly excited eigenstates of quantum many-body systems are typically featureless thermal states. Some systems, however, possess a small number of special, low-entanglement eigenstates known as quantum scars. We introduce a quantum-inspired…

Quantum Physics · Physics 2022-08-02 Tomasz Szołdra , Piotr Sierant , Maciej Lewenstein , Jakub Zakrzewski

Multiple modalities often co-occur when describing natural phenomena. Learning a joint representation of these modalities should yield deeper and more useful representations. Previous generative approaches to multi-modal input either do not…

Machine Learning · Computer Science 2018-11-13 Mike Wu , Noah Goodman

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…

Quantum Physics · Physics 2026-05-07 Abel Carreras , David Casanova , Román Orús

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these…

Machine Learning · Computer Science 2022-01-10 Qiaoyu Tan , Ninghao Liu , Xiao Huang , Rui Chen , Soo-Hyun Choi , Xia Hu

Parameter prediction is essential for many applications, facilitating insightful interpretation and decision-making. However, in many real life domains, such as power systems, medicine, and engineering, it can be very expensive to acquire…

Machine Learning · Computer Science 2024-02-16 Zimeng Lyu , Alexander Ororbia , Rui Li , Travis Desell

We show that unsupervised machine learning can be used to learn physical and chemical transformation pathways from the observational microscopic data, as demonstrated for atomically resolved images in Scanning Transmission Electron…

Masked autoencoders (MAEs) have displayed significant potential in the classification and semantic segmentation of medical images in the last year. Due to the high similarity of human tissues, even slight changes in medical images may…

Computer Vision and Pattern Recognition · Computer Science 2023-05-11 Jiawei Mao , Shujian Guo , Yuanqi Chang , Xuesong Yin , Binling Nie

In this work, we consider a fundamental task in quantum many-body physics - finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value…

Quantum Physics · Physics 2025-01-16 Štěpán Šmíd , Roberto Bondesan

Part-level features are crucial for image understanding, but few studies focus on them because of the lack of fine-grained labels. Although unsupervised part discovery can eliminate the reliance on labels, most of them cannot maintain…

Computer Vision and Pattern Recognition · Computer Science 2025-07-17 Jiahao Xia , Yike Wu , Wenjian Huang , Jianguo Zhang , Jian Zhang

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

Compact representations of fermionic Hamiltonians are necessary to perform calculations on quantum computers that lack error-correction. A fermionic system is typically defined within a subspace of fixed particle number and spin while…

Quantum Physics · Physics 2022-05-25 Diana Chamaki , Mekena Metcalf , Wibe A. de Jong

Learning the unknown Hamiltonian governing the dynamics of a quantum many-body system is a challenging task. In this manuscript, we propose a possible strategy based on repeated measurements on a single time-dependent state. We prove that…

Quantum Physics · Physics 2023-01-27 Davide Rattacaso , Gianluca Passarelli , Procolo Lucignano

We present a quantum computational framework using Hamiltonian Truncation (HT) for simulating real-time scattering processes in $(1+1)$-dimensional scalar $\phi^4$ theory. Unlike traditional lattice discretisation methods, HT approximates…

Quantum Physics · Physics 2025-05-08 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams , Matthew Wingate

Masked Autoencoder~(MAE) is a prevailing self-supervised learning method that achieves promising results in model pre-training. However, when the various downstream tasks have data distributions different from the pre-training data, the…

Computer Vision and Pattern Recognition · Computer Science 2024-02-09 Zhili Liu , Kai Chen , Jianhua Han , Lanqing Hong , Hang Xu , Zhenguo Li , James T. Kwok