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The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

We propose a quantum algorithm for solving combinatorial search problems that uses only a sequence of measurements. The algorithm is similar in spirit to quantum computation by adiabatic evolution, in that the goal is to remain in the…

We propose quantum algorithms that provide provable speedups for Markov Chain Monte Carlo (MCMC) methods commonly used for sampling from probability distributions of the form $\pi \propto e^{-f}$, where $f$ is a potential function. Our…

Quantum Physics · Physics 2025-04-07 Guneykan Ozgul , Xiantao Li , Mehrdad Mahdavi , Chunhao Wang

Shenvi, Kempe and Whaley's quantum random-walk search (SKW) algorithm [Phys. Rev. A 67, 052307 (2003)] is known to require $O(\sqrt N)$ number of oracle queries to find the marked element, where $N$ is the size of the search space. The…

Quantum Physics · Physics 2009-03-20 V. Potocek , A. Gabris , T. Kiss , I. Jex

DNA computation could in principle solve the satisfiability (SAT) problem due to the operations in parallel on extremely large numbers of strands. We demonstrate some quantum gates corresponding to the DNA ones, based on which an…

Quantum Physics · Physics 2008-02-05 T. T. Ren , M. Feng , W. -L. Chang , J. Luo , M. S. Zhan

Quantum algorithms can enhance machine learning in different aspects. In 2014, Rebentrost $et~al.$ constructed a least squares quantum support vector machine (LS-QSVM), in which the Swap Test plays a crucial role in realizing the…

Quantum Physics · Physics 2022-06-03 Rui Zhang , Jian Wang , Nan Jiang , Zichen Wang

Markov chain Monte Carlo algorithms have important applications in counting problems and in machine learning problems, settings that involve estimating quantities that are difficult to compute exactly. How much can quantum computers speed…

Quantum Physics · Physics 2020-02-10 Aram W. Harrow , Annie Y. Wei

We present an implementation of Quantum Computing for a Markov Chain Monte Carlo method with an application to cosmological functions, to derive posterior distributions from cosmological probes. The algorithm proposes new steps in the…

Variational quantum algorithms are poised to have significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these…

Quantum Physics · Physics 2022-02-02 Taylor L. Patti , Omar Shehab , Khadijeh Najafi , Susanne F. Yelin

Variance components estimation and mixed model analysis are central themes in statistics with applications in numerous scientific disciplines. Despite the best efforts of generations of statisticians and numerical analysts, maximum…

Computation · Statistics 2015-09-25 Hua Zhou , Liuyi Hu , Jin Zhou , Kenneth Lange

Quantum phase estimation (QPE) is the key subroutine of several quantum computing algorithms as well as a central ingredient in quantum computational chemistry and quantum simulation. While QPE strategies have focused on the estimation of a…

Quantum Physics · Physics 2021-07-26 Valentin Gebhart , Augusto Smerzi , Luca Pezzè

We introduce a novel quantum algorithm for the lattice Boltzmann method (LBM) based on the one-step simplified LBM. The structure of the algorithm allows for more flexibility in modelling different physics in contrast to earlier quantum…

Leverage score sampling is crucial to the design of randomized algorithms for large-scale matrix problems, while the computation of leverage scores is a bottleneck of many applications. In this paper, we propose a quantum algorithm to…

Quantum Physics · Physics 2023-09-19 Changpeng Shao

Protein folding is a central challenge in computational biology, with important applications in molecular biology, drug discovery and catalyst design. As a hard combinatorial optimisation problem, it has been studied as a potential target…

Quantum machine learning is considered one of the current research fields with immense potential. In recent years, Havl\'i\v{c}ek et al. [Nature 567, 209-212 (2019)] have proposed a quantum machine learning algorithm with quantum-enhanced…

Quantum Physics · Physics 2025-06-09 Chao Ding , Shi Wang , Yaonan Wang , Weibo Gao

This Perspective focuses on the several overlaps between quantum algorithms and Monte Carlo methods in the domains of physics and chemistry. We will analyze the challenges and possibilities of integrating established quantum Monte Carlo…

Quantum Physics · Physics 2024-09-26 Guglielmo Mazzola

Variational quantum circuits build the foundation for various classes of quantum algorithms. In a nutshell, the weights of a parametrized quantum circuit are varied until the empirical sampling distribution of the circuit is sufficiently…

We develop a new class of genetic algorithm that computationally determines efficient pulse sequences to implement a quantum gate U in a three-qubit system. The method is shown to be quite general, and the same algorithm can be used to…

Quantum Physics · Physics 2009-12-04 Ashok Ajoy , Anil Kumar

We develop several algorithms for performing quantum phase estimation based on basic measurements and classical post-processing. We present a pedagogical review of quantum phase estimation and simulate the algorithm to numerically determine…

Quantum Physics · Physics 2013-07-30 Krysta M. Svore , Matthew B. Hastings , Michael Freedman

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu