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Quantum centric supercomputing (QCSC) framework, such as sample-based quantum diagonalization (SQD) holds immense promise toward achieving practical quantum utility to solve challenging problems. QCSC leverages quantum computers to perform…

In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…

Quantum Physics · Physics 2024-10-28 Ana Clara das Neves Silva , Clebson Cruz

Characterizing the ground state properties of quantum systems is fundamental to capturing their behavior but computationally challenging. Recent advances in AI have introduced novel approaches, with diverse machine learning (ML) and deep…

Machine Learning · Computer Science 2025-05-21 Yusheng Zhao , Chi Zhang , Yuxuan Du

The resurgence of self-supervised learning, whereby a deep learning model generates its own supervisory signal from the data, promises a scalable way to tackle the dramatically increasing size of real-world data sets without human…

Quantum Physics · Physics 2022-04-05 Ben Jaderberg , Lewis W. Anderson , Weidi Xie , Samuel Albanie , Martin Kiffner , Dieter Jaksch

In this work, we propose a machine learning-based approach to address a specific aspect of the Quantum Marginal Problem: reconstructing a global density matrix compatible with a given set of quantum marginals. Our method integrates a…

Quantum Physics · Physics 2025-10-03 Daniel Uzcategui-Contreras , Antonio Guerra , Sebastian Niklitschek , Aldo Delgado

Generative models realized with machine learning techniques are powerful tools to infer complex and unknown data distributions from a finite number of training samples in order to produce new synthetic data. Diffusion models are an emerging…

Quantum Physics · Physics 2024-07-18 Marco Parigi , Stefano Martina , Filippo Caruso

Geometric quantum machine learning uses the symmetries inherent in data to design tailored machine learning tasks with reduced search space dimension. The field has been well-studied recently in an effort to avoid barren plateau issues…

Quantum Physics · Physics 2025-07-14 Zachary P. Bradshaw , Ethan N. Evans , Matthew Cook , Margarite L. LaBorde

Sequence-based modeling broadly refers to algorithms that act on data that is represented as an ordered set of input elements. In particular, Machine Learning algorithms with sequences as inputs have seen successfull applications to…

Data Analysis, Statistics and Probability · Physics 2021-02-12 Rafael Teixeira de Lima

This text aims to present and explain quantum machine learning algorithms to a data scientist in an accessible and consistent way. The algorithms and equations presented are not written in rigorous mathematical fashion, instead, the…

Quantum Physics · Physics 2018-04-27 Dawid Kopczyk

Continuous-variable quantum systems are foundational to quantum computation, communication, and sensing. While traditional representations using wave functions or density matrices are often impractical, the tomographic picture of quantum…

Quantum Physics · Physics 2026-03-17 Liubov A. Markovich , Xiaoyu Liu , Jordi Tura

This work proposes QNet, a novel sequence encoder model that entirely inferences on the quantum computer using a minimum number of qubits. Let $n$ and $d$ represent the length of the sequence and the embedding size, respectively. The…

Machine Learning · Computer Science 2023-08-29 Wei Day , Hao-Sheng Chen , Min-Te Sun

Generative modeling, which learns joint probability distribution from data and generates samples according to it, is an important task in machine learning and artificial intelligence. Inspired by probabilistic interpretation of quantum…

Statistical Mechanics · Physics 2018-07-20 Zhao-Yu Han , Jun Wang , Heng Fan , Lei Wang , Pan Zhang

Ensemble methods in machine learning aim to improve prediction accuracy by combining multiple models. This is achieved by ensuring diversity among predictors to capture different data aspects. Homogeneous ensembles use identical models,…

Quantum Physics · Physics 2025-11-04 Emiliano Tolotti , Enrico Blanzieri , Davide Pastorello

Quantum machine learning models that leverage quantum circuits as quantum feature maps (QFMs) are recognized for their enhanced expressive power in learning tasks. Such models have demonstrated rigorous end-to-end quantum speedups for…

Quantum Physics · Physics 2026-04-29 Nasa Matsumoto , Quoc Hoan Tran , Koki Chinzei , Yasuhiro Endo , Hirotaka Oshima

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

With the capability to find the best fit to arbitrarily complicated data patterns, machine-learning (ML) enhanced quantum state tomography (QST) has demonstrated its advantages in extracting complete information about the quantum states.…

Quantum Physics · Physics 2022-03-31 Hsien-Yi Hsieh , Jingyu Ning , Yi-Ru Chen , Hsun-Chung Wu , Hua Li Chen , Chien-Ming Wu , Ray-Kuang Lee

The advent of neural-network-based deep learning techniques has led to the emergence of increasingly sophisticated numerical interatomic potentials, including graph neural networks and large language-motivated foundation models.…

Chemical Physics · Physics 2026-03-09 Susan R. Atlas

Efficiently characterizing large quantum states and processes is a central yet notoriously challenging task in quantum information science, as conventional tomography methods typically require resources that grow exponentially with system…

Quantum Physics · Physics 2026-03-03 Chenyang Li , Shengxin Zhuang , Yukun Zhang , Jingbo B. Wang , Xiao Yuan , Yusen Wu , Chuan Wang

Suppose that three kinds of quantum systems are given in some unknown states $\ket f^{\otimes N}$, $\ket{g_1}^{\otimes K}$, and $\ket{g_2}^{\otimes K}$, and we want to decide which \textit{template} state $\ket{g_1}$ or $\ket{g_2}$, each…

Quantum Physics · Physics 2009-11-07 Masahide Sasaki , Alberto Carlini
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