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Standard Gaussian Process (GP) regression, a powerful machine learning tool, is computationally expensive when it is applied to large datasets, and potentially inaccurate when data points are sparsely distributed in a high-dimensional…

Machine Learning · Computer Science 2016-03-08 Z. Zhang , K. Duraisamy , N. A. Gumerov

Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…

The preparation of Hamiltonian eigenstates is essential for many applications in quantum computing; the efficiency with which this can be done is of key interest. A canonical approach exploits the quantum phase estimation (QPE) algorithm.…

Quantum Physics · Physics 2022-12-05 Richard Meister , Simon C. Benjamin

We propose a natural application of Quantum Linear Systems Problem (QLSP) solvers such as the HHL algorithm to efficiently prepare highly excited interior eigenstates of physical Hamiltonians in a variational and targeted manner. This is…

Quantum Physics · Physics 2023-10-13 Shao-Hen Chiew , Leong-Chuan Kwek

Quantum Computing (QC) offers outstanding potential for molecular characterization and drug discovery, particularly in solving complex properties like the Ground State Energy (GSE) of biomolecules. However, QC faces challenges due to…

Chemical Physics · Physics 2024-12-17 Laia Coronas Sala , Parfait Atchade-Adelemou

Quantum computers solve intractable problems which classically require an exponentially long time to compute. With the development of large-scale experiments that claim quantum advantage, a vital issue has now emerged. What are the errors,…

Quantum Physics · Physics 2026-04-15 Ned Goodman , Alexander S. Dellios , Margaret D. Reid , Peter D. Drummond

Quantum ground-state problems are computationally hard problems; for general many-body Hamiltonians, there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating…

The Single-Source Shortest Path (SSSP) problem is a cornerstone of computer science with vast applications, for which Dijkstra's algorithm has long been the classical baseline. While various quantum algorithms have been proposed, their…

Quantum Physics · Physics 2025-08-19 Phuc Hao Do , Tran Duc Le

We study the problems of state preparation, ground state preparation and quantum state preparation. We propose an analytic approach to a stochastic quantum algorithm which prepares the ground state for $n$-qubit Hamiltonian that is…

Quantum Physics · Physics 2025-12-02 Taehee Ko , Sungbin Lim

Classical simulation of quantum computation has often been viewed as the method to determine where the horizon of quantum supremacy is located---that is, where quantum computation can no longer be simulated by classical methods. As of now,…

Quantum Physics · Physics 2017-11-21 Andrew Shi

Numerous quantum algorithms operate under the assumption that classical data has already been converted into quantum states, a process termed Quantum State Preparation (QSP). However, achieving precise QSP requires a circuit depth that…

Quantum Physics · Physics 2024-08-13 Yilun Zhao , Bingmeng Wang , Wenle Jiang , Xiwei Pan , Bing Li , Yinhe Han , Ying Wang

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical…

Quantum Physics · Physics 2022-06-03 Christopher Kang , Nicholas P. Bauman , Sriram Krishnamoorthy , Karol Kowalski

Noisy Intermediate-Scale Quantum (NISQ) computers, despite their limitations, present opportunities for near-term quantum advantages in Nuclear and High-Energy Physics (NHEP) when paired with specially designed quantum algorithms and…

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…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

Gaussian processes (GPs) are important probabilistic tools for inference and learning in spatio-temporal modelling problems such as those in climate science and epidemiology. However, existing GP approximations do not simultaneously support…

Machine Learning · Computer Science 2021-06-21 Will Tebbutt , Arno Solin , Richard E. Turner

Gaussian processes (GPs) are important models in supervised machine learning. Training in Gaussian processes refers to selecting the covariance functions and the associated parameters in order to improve the outcome of predictions, the core…

Quantum computing, a prominent non-Von Neumann paradigm beyond Moore's law, can offer superpolynomial speedups for certain problems. Yet its advantages in efficiency for tasks like machine learning remain under investigation, and quantum…

Quantum Phase Estimation (QPE), the quantum algorithm for estimating eigenvalues of a given Hermitian matrix and preparing its eigenvectors, is considered the most promising approach to finding the ground states and their energies of…

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo

In this article, we discuss how a kind of hybrid computation, which employs symbolic, numeric, classic, and quantum algorithms, allows us to conduct Hartree-Fock electronic structure computation of molecules. In the proposed algorithm, we…

Quantum Physics · Physics 2024-06-19 Ichio Kikuchi , Akihito Kikuchi