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Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…

Quantum Physics · Physics 2024-11-11 Hamid Reza Naeij , Erfan Mahmoudi , Hossein Davoodi Yeganeh , Mohsen Akbari

The adaptive derivative-assembled pseudo-trotter variational quantum eigensolver (ADAPT-VQE) is a promising hybrid quantum-classical algorithm for molecular ground state energy calculation, yet its practical scalability is hampered by…

Quantum Physics · Physics 2026-02-05 Runhong He , Xin Hong , Qiaozhen Chai , Ji Guan , Junyuan Zhou , Arapat Ablimit , Guolong Cui , Shenggang Ying

The VQE algorithm has turned out to be quite expensive to run given the way we currently access quantum processors (i.e. over the cloud). In order to alleviate this issue, we introduce Quantum Sampling Regression (QSR), an alternative…

Quantum Physics · Physics 2020-12-07 Pedro Rivero , Ian C. Cloët , Zack Sullivan

Manual annotation of high-quality visual question answering with grounding (VQA-G) datasets, which pair visual questions with evidential grounding, is crucial for advancing vision-language models (VLMs), but remains unscalable. Existing…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Rongsheng Hu , Runwei Guan , Yicheng Di , Jiayu Bao , Yuan Liu

Variational quantum eigensolver (VQE) is regarded as a promising candidate of hybrid quantum-classical algorithm for the near-term quantum computers. Meanwhile, VQE is confronted with a challenge that statistical error associated with the…

Quantum Physics · Physics 2023-12-12 Ken N. Okada , Keita Osaki , Kosuke Mitarai , Keisuke Fujii

Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

Near term quantum devices have the potential to outperform classical computing through the use of hybrid classical-quantum algorithms such as Variational Quantum Eigensolvers. These iterative algorithms use a classical optimiser to update a…

Quantum Physics · Physics 2024-01-17 A. M. Krol , K. Mesman , A. Sarkar , M. Möller , Z. Al-Ars

Neural network quantum states (NQS), incorporating with variational Monte Carlo (VMC) method, are shown to be a promising way to investigate quantum many-body physics. Whereas vanilla VMC methods perform one gradient update per sample, we…

Disordered Systems and Neural Networks · Physics 2022-11-01 Feng Chen , Ming Xue

Edge computing breaks with traditional autoscaling due to strict resource constraints, thus, motivating more flexible scaling behaviors using multiple elasticity dimensions. This work introduces an agent-based autoscaling framework that…

Artificial Intelligence · Computer Science 2026-01-13 Boris Sedlak , Alireza Furutanpey , Zihang Wang , Víctor Casamayor Pujol , Schahram Dustdar

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one…

Quantum Physics · Physics 2023-09-28 James B. Larsen , Matthew D. Grace , Andrew D. Baczewski , Alicia B. Magann

Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

Quantum Physics · Physics 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

Large language models (LLMs) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…

Artificial Intelligence · Computer Science 2026-03-03 Ao Cheng , Lei Zhang , Guowei He

Quantum machine learning (QML) has been identified as one of the key fields that could reap advantages from near-term quantum devices, next to optimization and quantum chemistry. Research in this area has focused primarily on variational…

Quantum Physics · Physics 2022-06-01 Andrea Skolik , Sofiene Jerbi , Vedran Dunjko

The Variational Quantum Eigensolver (VQE) algorithm is gaining interest for its potential use in near-term quantum devices. In the VQE algorithm, parameterized quantum circuits (PQCs) are employed to prepare quantum states, which are then…

Quantum Physics · Physics 2023-12-29 Atsushi Matsuo , Yudai Suzuki , Ikko Hamamura , Shigeru Yamashita

Accurate ground-state energy calculations remain a central challenge in quantum chemistry due to the exponential scaling of the many-body Hilbert space. Variational Monte Carlo and variational quantum eigensolvers offer promising ansatz…

Quantum Physics · Physics 2026-03-27 Shane Thompson , Daniel Gunlycke

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

Quantum Physics · Physics 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

Key properties of physical systems can be described by the eigenvalues of matrices that represent the system. Computational algorithms that determine the eigenvalues of these matrices exist, but they generally suffer from a loss of…

Quantum Physics · Physics 2023-10-31 T. Powers , R. M. Rajapakse

We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang