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Data scarcity remains a central challenge in materials discovery, where finding meaningful descriptors and tuning models for generalization is critical but inherently a discrete optimization problem prone to multiple local minima…

The quantum random walk is a possible approach to construct new quantum algorithms. Several groups have investigated the quantum random walk and experimental schemes were proposed. In this paper we present the experimental implementation of…

Quantum Physics · Physics 2009-11-07 Jiangfeng Du , Hui Li , Xiaodong Xu , Mingjun Shi , Jihui Wu , Xianyi Zhou , Rongdian Han

This paper presents a general neural network framework for solving quantum few-body systems, extending prior methods to handle diverse particle masses, interaction types, and system configurations. Our architecture, which combines an…

Computational Physics · Physics 2026-03-16 Jin Ziqi , Paolo Recchia , Mario Gattobigio

Image processing is one of the most promising applications for quantum machine learning (QML). Quanvolutional Neural Networks with non-trainable parameters are the preferred solution to run on current and near future quantum devices. The…

Quantum Physics · Physics 2024-10-10 Daniele Lizzio Bosco , Beatrice Portelli , Giuseppe Serra

Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on experimentally resolved structures, but these cover only a…

Biomolecules · Quantitative Biology 2023-11-27 Igor Melnyk , Aurelie Lozano , Payel Das , Vijil Chenthamarakshan

Topological data analysis is a rapidly developing area of data science where one tries to discover topological patterns in data sets to generate insight and knowledge discovery. In this project we use quantum walk algorithms to discover…

Quantum Physics · Physics 2021-06-23 Yuan Feng , Raffaele Miceli , Michael McGuigan

Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…

Quantum Physics · Physics 2024-06-07 Shu Kanno , Hajime Nakamura , Takao Kobayashi , Shigeki Gocho , Miho Hatanaka , Naoki Yamamoto , Qi Gao

We introduce a classical-quantum hybrid approach to computation, allowing for a quadratic performance improvement in the decision process of a learning agent. In particular, a quantum routine is described, which encodes on a quantum…

Quantum Physics · Physics 2023-03-22 A. Sannia , A. Giordano , N. Lo Gullo , C. Mastroianni , F. Plastina

The quantum walk (QW) is the term given to a family of algorithms governing the evolution of a discrete quantum system and as such has a founding role in the study of quantum computation. We contribute to the investigation of QW phenomena…

Quantum Physics · Physics 2015-07-02 Hao Luo , Peng Xue

Quantum walks are powerful kernels in quantum computing protocols that possess strong capabilities in speeding up various simulation and optimisation tasks. One striking example is given by quantum walkers evolving on glued trees for their…

With photonics, the quantum computational advantage has been demonstrated on the task of boson sampling. Next, developing quantum-enhanced approaches for practical problems becomes one of the top priorities for photonic systems. Quantum…

Molecular 3D conformations play a key role in determining how molecules interact with other molecules or protein surfaces. Recent deep learning advancements have improved conformation prediction, but slow training speeds and difficulties in…

Machine Learning · Computer Science 2024-12-17 Qingwen Tian , Yuxin Xu , Yixuan Yang , Zhen Wang , Ziqi Liu , Pengju Yan , Xiaolin Li

Drawing the quantum phase diagram of a many-body system in the parameter space of its Hamiltonian can be seen as a learning problem, which implies labelling the corresponding ground states according to some classification criterium that…

Quantum Physics · Physics 2025-10-17 Mehran Khosrojerdi , Alessandro Cuccoli , Paola Verrucchi , Leonardo Banchi

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

Quantum walks are central to a wide range of applications such as quantum search, quantum information processing, and entanglement transport. Gaining control over the duration and the direction of quantum walks (QWs) is crucial to…

Quantum data learning (QDL) provides a framework for extracting physical insights directly from quantum states, bypassing the need for any identification of the classical observable of the theory. A central challenge in many-body physics is…

Variational Quantum Circuits (VQC) lie at the forefront of quantum machine learning research. Still, the use of quantum networks for real data processing remains challenging as the number of available qubits cannot accommodate a large…

Quantum Physics · Physics 2024-09-06 G. Maragkopoulos , A. Mandilara , A. Tsili , D. Syvridis

Simulating quantum dynamics is expected to be performed more easily on a quantum computer than on a classical computer. However, the currently available quantum devices lack the capability to implement fault-tolerant quantum algorithms for…

Quantum Physics · Physics 2022-02-28 Kian Hwee Lim , Tobias Haug , Leong Chuan Kwek , Kishor Bharti

Molecular docking is a crucial phase in drug discovery, involving the precise determination of the optimal spatial arrangement between two molecules when they bind. The such analysis, the 3D structure of molecules is a fundamental…

Quantum Physics · Physics 2024-03-04 Arit Kumar Bishwas , Arish Pitchai , Anuraj Som

Noise-enhanced applications in open quantum walk (QW) have recently seen a surge due to their ability to improve performance. However, verifying the success of open QW is challenging, as mixed-state tomography is a resource-intensive…

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