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We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…

Resampling methods such as the bootstrap have proven invaluable in the field of machine learning. However, the applicability of traditional bootstrap methods is limited when dealing with large streams of dependent data, such as time series…

Machine Learning · Statistics 2024-02-28 Nicolai Palm , Thomas Nagler

Obtaining accurate estimates of machine learning model uncertainties on newly predicted data is essential for understanding the accuracy of the model and whether its predictions can be trusted. A common approach to such uncertainty…

Quantum computer, harnessing quantum superposition to boost a parallel computational power, promises to outperform its classical counterparts and offer an exponentially increased scaling. The term "quantum advantage" was proposed to mark…

Without large quantum computers to empirically evaluate performance, theoretical frameworks such as the quantum statistical query (QSQ) are a primary tool to study quantum algorithms for learning classical functions and search for quantum…

Quantum Physics · Physics 2026-02-11 Laura Lewis , Dar Gilboa , Jarrod R. McClean

As a compact representation of joint probability distributions over a dependence graph of random variables, and a tool for modelling and reasoning in the presence of uncertainty, Bayesian networks are of great importance for artificial…

Quantum Physics · Physics 2020-10-06 Michael de Oliveira , Luis Soares Barbosa

Covariate-dependent uncertainty quantification in simulation-based inference is crucial for high-stakes decision-making but remains challenging due to the limitations of existing methods such as conformal prediction and classical bootstrap,…

Machine Learning · Computer Science 2026-01-28 Zhiyang Liang , Qingkai Zhang

Quantum samplers are believed capable of sampling efficiently from distributions that are classically hard to sample from. We consider a sampler inspired by the classical Ising model. It is nonadaptive and therefore experimentally amenable.…

Quantum Physics · Physics 2019-07-17 Theodoros Kapourniotis , Animesh Datta

The quantum volume test is a full-system benchmark for quantum computers that is sensitive to qubit number, fidelity, connectivity, and other quantities believed to be important in building useful devices. The test was designed to produce a…

Quantum Physics · Physics 2022-05-11 Charles H. Baldwin , Karl Mayer , Natalie C. Brown , Ciarán Ryan-Anderson , David Hayes

Efficient encoding of classical data into quantum state -- currently referred to as quantum encoding -- holds crucial significance in quantum computation. For finite-size databases and qubit registers, a common strategy of the quantum…

Quantum Physics · Physics 2025-08-05 Jaehee Kim , Taewan Kim , Kyunghyun Baek , Yongsoo Hwang , Joonsuk Huh , Jeongho Bang

Compiling quantum algorithms for near-term quantum computers (accounting for connectivity and native gate alphabets) is a major challenge that has received significant attention both by industry and academia. Avoiding the exponential…

Bootstrap is a useful tool for making statistical inference, but it may provide erroneous results under complex survey sampling. Most studies about bootstrap-based inference are developed under simple random sampling and stratified random…

Statistics Theory · Mathematics 2019-01-08 Zhonglei Wang , Jae Kwang Kim , Liuhua Peng

The main idea of this work is that the quantum-classical isomorphism is a suitable framework for a generalization of the notion of detailed balance. The quantum-classical isomorphism is used in order to develop a Monte Carlo simulation with…

Probability · Mathematics 2007-10-29 Yefim I. Leifman

We propose a quantum algorithm which uses the number of qubits in an optimal way and efficiently simulates a physical model with rich and complex dynamics described by the quantum sawtooth map. The numerical study of the effect of static…

Quantum Physics · Physics 2007-05-23 Giuliano Benenti , Giulio Casati , Simone Montangero , Dima L. Shepelyansky

Statistical functions such as the moment-generating function, characteristic function, cumulant-generating function, and second characteristic function are cornerstone tools in classical statistics and probability theory. They provide a…

Quantum Physics · Physics 2026-02-06 Haruki Emori

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Quantum error mitigation (QEM) is a class of promising techniques for reducing the computational error of variational quantum algorithms. In general, the computational error reduction comes at the cost of a sampling overhead due to the…

Quantum Physics · Physics 2022-01-21 Yifeng Xiong , Soon Xin Ng , Lajos Hanzo

We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with…

Quantum Physics · Physics 2010-11-10 Robert R. Tucci

In the noisy intermediate-scale quantum (NISQ) era, quantum error mitigation (QEM) is essential for producing reliable outputs from quantum circuits. We present a statistical signal processing approach to QEM that estimates the most likely…

We use a meta-learning neural-network approach to analyse data from a measured quantum state. Once our neural network has been trained it can be used to efficiently sample measurements of the state in measurement bases not contained in the…

Quantum Physics · Physics 2021-07-01 Alistair W. R. Smith , Johnnie Gray , M. S. Kim