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The de novo design of drug molecules is recognized as a time-consuming and costly process, and computational approaches have been applied in each stage of the drug discovery pipeline. Variational autoencoder is one of the computer-aided…

量子物理 · 物理学 2021-12-24 Junde Li , Swaroop Ghosh

Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…

量子物理 · 物理学 2026-02-24 Jungyun Lee , Daniel K. Park

Methods for Visual Question Anwering (VQA) are notorious for leveraging dataset biases rather than performing reasoning, hindering generalization. It has been recently shown that better reasoning patterns emerge in attention layers of a…

计算机视觉与模式识别 · 计算机科学 2021-06-11 Corentin Kervadec , Christian Wolf , Grigory Antipov , Moez Baccouche , Madiha Nadri

Feedback-based quantum algorithms (FQAs) operate by iteratively growing a quantum circuit to optimize a given task. At each step, feedback from qubit measurements is used to inform the next quantum circuit update. In practice, the sampling…

量子物理 · 物理学 2026-01-14 Vicente Peña Pérez , Matthew D. Grace , Christian Arenz , Alicia B. Magann

Quantum annealing (QA) has attracted research interest as a sampler and combinatorial optimization problem (COP) solver. A recently proposed sampling-based solver for QA significantly reduces the required number of qubits, being capable of…

量子物理 · 物理学 2025-07-31 Ryo Hagiwara , Shunta Arai , Satoshi Takabe

We propose a variational quantum eigensolver (VQE) for the simulation of strongly-correlated quantum matter based on a multi-scale entanglement renormalization ansatz (MERA) and gradient-based optimization. This MERA quantum eigensolver can…

量子物理 · 物理学 2023-09-04 Qiang Miao , Thomas Barthel

In this paper, we present a novel approach for training a Variational Autoencoder (VAE) on a highly imbalanced data set. The proposed training of a high-resolution VAE model begins with the training of a low-resolution core model, which can…

计算机视觉与模式识别 · 计算机科学 2019-12-19 Dmitry Utyamishev , Inna Partin-Vaisband

Accurate calculation of strongly correlated electronic systems requires proper treatment of both static and dynamic correlations, which remains challenging for conventional methods. To address this, we present VQE-PDFT,aquantum-classical…

量子物理 · 物理学 2026-04-20 Yibo Chen , Zirui Sheng , Weitang Li , Yong Zhang , Xun Xu , Jun-Han Huang , Yuxiang Li

A contracted quantum eigensolver (CQE) finds a solution to the many-electron Schr\"odinger equation by solving its integration (or contraction) to the 2-electron space -- a contracted Schr\"odinger equation (CSE) -- on a quantum computer.…

量子物理 · 物理学 2022-05-05 Scott E. Smart , David A. Mazziotti

In the era of noisy intermediate-scale quantum (NISQ), variational quantum circuits (VQCs) have been widely applied in various domains, demonstrating the potential advantages of quantum circuits over classical models. Similar to classic…

量子物理 · 物理学 2025-08-26 Jun Zhuang , Jack Cunningham , Chaowen Guan

In this work we integrate the variational quantum eigensolver (VQE) with the adiabatic connection (AC) method for efficient simulations of chemical problems on near-term quantum computers. Orbital optimized VQE methods are employed to…

量子物理 · 物理学 2023-10-10 Mikuláš Matoušek , Katarzyna Pernal , Fabijan Pavošević , Libor Veis

Quantum Phase Estimation (QPE) stands as a pivotal quantum computing subroutine that necessitates an inverse Quantum Fourier Transform (QFT). However, it is imperative to recognize that enhancing the precision of the estimation inevitably…

量子物理 · 物理学 2023-11-09 Chen-Yu Liu , Chu-Hsuan Abraham Lin , Kuan-Cheng Chen

Quantum computing is an advanced area of computing that leverages the principles of quantum mechanics. Quantum computing holds the potential to revolutionize various fields by handling problems that are currently intractable for classical…

量子物理 · 物理学 2024-10-28 Xiaoan Lin

The Variational Quantum Eigensolver (VQE) is a promising algorithm for quantum computing applications in chemistry and materials science, particularly in addressing the limitations of classical methods for complex systems. This study…

量子物理 · 物理学 2025-02-25 Nia Pollard , Kamal Choudhary

Post-training quantization (PTQ) has been gaining popularity for the deployment of deep neural networks on resource-limited devices since unlike quantization-aware training, neither a full training dataset nor end-to-end training is…

机器学习 · 计算机科学 2024-07-17 Jung Hyun Lee , Jeonghoon Kim , Se Jung Kwon , Dongsoo Lee

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

量子物理 · 物理学 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

Near term quantum computers suffer from the presence of different noise sources. In order to mitigate for this effect and acquire results with significantly better accuracy, there is the urge of designing efficient error correction or error…

The recently developed Projective Quantum Eigensolver (PQE) has been demonstrated as an elegant methodology to compute the ground state energy of molecular systems in Noisy Intermdiate Scale Quantum (NISQ) devices. The iterative…

量子物理 · 物理学 2023-03-21 Sonaldeep Halder , Chayan Patra , Dibyendu Mondal , Rahul Maitra

While sequential recommendation achieves significant progress on capturing user-item transition patterns, transferring such large-scale recommender systems remains challenging due to the disjoint user and item groups across domains. In this…

信息检索 · 计算机科学 2024-11-05 Zhenrui Yue , Huimin Zeng , Yang Zhang , Julian McAuley , Dong Wang

We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…

量子物理 · 物理学 2021-06-01 Alba Cervera-Lierta , Jakob S. Kottmann , Alán Aspuru-Guzik