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Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties…

化学物理 · 物理学 2017-01-11 Maria Karelina , Heather J. Kulik

We propose two quantum algorithms for a problem in bioinformatics, position weight matrix (PWM) matching, which aims to find segments (sequence motifs) in a biological sequence such as DNA and protein that have high scores defined by the…

量子物理 · 物理学 2023-03-08 Koichi Miyamoto , Naoki Yamamoto , Yasubumi Sakakibara

This paper addresses the problem of checking invariant properties for a large class of symbolic transition systems, defined by a combination of SMT theories and quantifiers. State variables can be functions from an uninterpreted sort…

计算机科学中的逻辑 · 计算机科学 2024-03-01 Gianluca Redondi , Alessandro Cimatti , Alberto Griggio , Kenneth McMillan

Quantum linear system algorithms (QLSAs) can provide exponential speedups for the solution of linear systems, but the growth of the condition number for finite element problems can eliminate the exponential speedup. QLSAs are also incapable…

量子物理 · 物理学 2024-04-12 Osama Muhammad Raisuddin , Suvranu De

This thesis studies three topics in quantum computation and information: The approximability of quantum problems, quantum proof systems, and non-classical correlations in quantum systems. In the first area, we demonstrate a polynomial-time…

量子物理 · 物理学 2013-01-15 Sevag Gharibian

This paper is concerned with the computational complexity of equivalence and minimisation for automata with transition weights in the field Q of rational numbers. We use polynomial identity testing and the Isolation Lemma to obtain…

形式语言与自动机理论 · 计算机科学 2015-07-01 Stefan Kiefer , Andrzej Murawski , Joel Ouaknine , Bjoern Wachter , James Worrell

We give two quantum algorithms for computing (twisted) Kloosterman sums attached to a finite field $\mathbf{F}$ of $q$ elements. The first algorithm computes a quantum state containing, as its coefficients with respect to the standard…

量子物理 · 物理学 2018-10-04 Peter Bruin

We study the quantum summation (QS) algorithm of Brassard, Hoyer, Mosca and Tapp, that approximates the arithmetic mean of a Boolean function defined on N elements. We improve error bounds presented in [1] in the worst-probabilistic…

量子物理 · 物理学 2007-05-23 Marek Kwas , Henryk Wozniakowski

Neural-network quantum states (NQS) offer a versatile and expressive alternative to traditional variational ans\"atze for simulating physical systems. Energy-based frameworks, like Hopfield networks and Restricted Boltzmann Machines,…

量子物理 · 物理学 2024-12-18 Manas Sajjan , Vinit Singh , Sabre Kais

In this paper, we study a model of quantum Markov chains that is a quantum analogue of Markov chains and is obtained by replacing probabilities in transition matrices with quantum operations. We show that this model is very suited to…

量子物理 · 物理学 2015-07-01 Lvzhou Li , Yuan Feng

Significant challenges remain with the development of macroscopic quantum computing, hardware problems of noise, decoherence, and scaling, software problems of error correction, and, most important, algorithm construction. Finding truly…

量子物理 · 物理学 2022-12-05 James E. Steck , Nathan L. Thompson , Elizabeth C. Behrman

We consider mixtures of $k\geq 2$ Gaussian components with unknown means and unknown covariance (identical for all components) that are well-separated, i.e., distinct components have statistical overlap at most $k^{-C}$ for a large enough…

机器学习 · 计算机科学 2023-06-09 Rares-Darius Buhai , David Steurer

The paper is devoted to an approach to solving a problem of the efficiency of parallel computing. The theoretical basis of this approach is the concept of a $Q$-determinant. Any numerical algorithm has a $Q$-determinant. The $Q$-determinant…

计算复杂性 · 计算机科学 2022-07-26 Valentina N. Aleeva , Rifkhat Zh. Aleev

The steady progress of quantum hardware is motivating the search for novel quantum algorithm optimization strategies for near-term, real-world applications. In this study, we propose a novel feature map optimization strategy for Quantum…

量子物理 · 物理学 2025-03-31 Roberto Moretti , Andrea Giachero , Voica Radescu , Michele Grossi

Works in quantum machine learning (QML) over the past few years indicate that QML algorithms can function just as well as their classical counterparts, and even outperform them in some cases. Among the corpus of recent work, many current…

机器学习 · 计算机科学 2023-05-18 Joseph Lindsay , Ramtin Zand

In seeking out an algorithm to test out the capability of the IBM Quantum Experience quantum computer, we were given a review paper covering various algorithms for solving the subset-sum problem, including both classical and quantum…

新兴技术 · 计算机科学 2019-12-09 David Gunter , Toks Adedoyin

The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum…

量子物理 · 物理学 2026-04-14 Boni Paul , Sudhindu Bikash Mandal , Kenji Sugisaki , B. P. Das

Quantum machine learning seeks a computational advantage in data processing by evaluating functions of quantum states, such as their similarity, that can be classically intractable to compute. For quantum advantage to be possible, however,…

We propose a new method for evaluating NISQ devices. This paper has three distinct parts. First, we present a new quantum algorithm that solves a two hundred year old problem of finding quadratic nonresidues (QNR) in polynomial time. We…

量子物理 · 物理学 2022-03-03 Thomas G. Draper

We devise new quantum algorithms that exponentially speeds up the training and prediction procedures of twin support vector machines (TSVM). To train TSVMs using quantum methods, we demonstrate how to prepare the desired input states…

量子物理 · 物理学 2020-03-03 Zekun Ye , Lvzhou Li , Haozhen Situ , Yuyi Wang