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The Variational Quantum Eigensolver (VQE) is a method of choice to solve the electronic structure problem for molecules on near-term gate-based quantum computers. However, the circuit depth is expected to grow significantly with problem…

Surrogate models are used for global approximation of responses generated by expensive computer experiments like CFD applications. In this paper, we make use of structural similarities which are shared by a class of related problems. We…

数值分析 · 数学 2012-06-20 Benjamin Rosenbaum , Volker Schulz

Automatically designing fast and space-efficient digital circuits is challenging because circuits are discrete, must exactly implement the desired logic, and are costly to simulate. We address these challenges with CircuitVAE, a search…

机器学习 · 计算机科学 2024-06-17 Jialin Song , Aidan Swope , Robert Kirby , Rajarshi Roy , Saad Godil , Jonathan Raiman , Bryan Catanzaro

Variational quantum algorithms are a leading candidate for early applications on noisy intermediate-scale quantum computers. These algorithms depend on a classical optimization outer-loop that minimizes some function of a parameterized…

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum…

量子物理 · 物理学 2025-08-21 Luise Prielinger , Álvaro G. Iñesta , Gayane Vardoyan

The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…

化学物理 · 物理学 2026-03-24 Yanxian Tao , Lingyun Wan , Jie Liu

In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. However, general quantum eigensolvers…

量子物理 · 物理学 2023-09-27 Yusen Wu , Zigeng Huang , Jinzhao Sun , Xiao Yuan , Jingbo B. Wang , Dingshun Lv

Stochastic collocation (SC) is a well-known non-intrusive method of constructing surrogate models for uncertainty quantification. In dynamical systems, SC is especially suited for full-field uncertainty propagation that characterizes the…

数值分析 · 数学 2023-10-18 Saibal De , Reese E. Jones , Hemanth Kolla

Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these…

统计方法学 · 统计学 2023-05-04 Moses Y-H. Chan , Matthew Plumlee , Stefan M. Wild

We propose VQE circuit fabrics with advantageous properties for the simulation of strongly correlated ground and excited states of molecules and materials under the Jordan-Wigner mapping that can be implemented linearly locally and preserve…

量子物理 · 物理学 2021-11-16 Gian-Luca R. Anselmetti , David Wierichs , Christian Gogolin , Robert M. Parrish

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

量子物理 · 物理学 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

Superconductor-semiconductor hybrid devices, involving quantum dots interfaced with floating and/or grounded superconductors, have reached a level of complexity which calls for the development of versatile and numerically efficient…

超导电性 · 物理学 2024-07-16 Virgil V. Baran , Jens Paaske

The integration of Reinforcement Learning (RL) and Evolutionary Algorithms (EAs) aims at simultaneously exploiting the sample efficiency as well as the diversity and robustness of the two paradigms. Recently, hybrid learning frameworks…

神经与进化计算 · 计算机科学 2022-11-08 Yuxing Wang , Tiantian Zhang , Yongzhe Chang , Bin Liang , Xueqian Wang , Bo Yuan

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

机器学习 · 统计学 2022-01-20 Akshay Thakur , Souvik Chakraborty

The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled…

量子物理 · 物理学 2025-02-27 Damian S. Steiger , Thomas Häner , Scott N. Genin , Helmut G. Katzgraber

We present a new hybrid quantum-classical algorithm for optimizing unitary coupled-cluster (UCC) wave functions deemed the projective quantum eigensolver (PQE), amenable to near-term noisy quantum hardware. Contrary to variational quantum…

量子物理 · 物理学 2021-08-10 Nicholas H. Stair , Francesco A. Evangelista

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

量子物理 · 物理学 2023-09-06 Jinao Wang , Rimika Jaiswal

Variational Quantum Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…

量子物理 · 物理学 2024-05-17 Katsuhiro Endo , Yuki Sato , Rudy Raymond , Kaito Wada , Naoki Yamamoto , Hiroshi C. Watanabe

We present a distributed algorithm and implementation of the variational quantum eigensolver (VQE), termed distributed VQE (DVQE). DVQE, provided as an open-source Python package, enables the execution of parameterized quantum circuits…

量子物理 · 物理学 2025-08-29 Milad Hasanzadeh , Amin Kargarian