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Accurately solving the electronic structure problem through the variational quantum eigensolver (VQE) is hindered by the available quantum resources of current and near-term devices. One approach to relieving the circuit depth requirements…

Quantum Physics · Physics 2023-08-31 Robert A. Lang , Aadithya Ganeshram , Artur F. Izmaylov

Characterizing the interactions and dynamics of quantum mechanical systems is an essential task in the development of quantum technologies. We propose an efficient protocol based on the estimation of the time derivatives of few qubit…

We present simple and practical strategies to reduce the variance of Monte Carlo estimators. Our focus is on variational Monte Carlo calculations of atomic forces and pressure in electronic systems, although we show that the underlying…

Strongly Correlated Electrons · Physics 2026-03-17 David Linteau , Saverio Moroni , Giuseppe Carleo , Markus Holzmann

We present classical and quantum algorithms for approximating partition functions of classical Hamiltonians at a given temperature. Our work has two main contributions: first, we modify the classical algorithm of \v{S}tefankovi\v{c},…

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

We study the problems of quantum tomography and shadow tomography using measurements performed on individual, identical copies of an unknown $d$-dimensional state. We first revisit a known lower bound due to Haah et al. (2017) on quantum…

Quantum Physics · Physics 2025-06-12 Angus Lowe , Ashwin Nayak

Decomposing Pauli exponentials efficiently to quantum circuits has been the subject of intense research in recent years. Pauli exponentials are an essential component of many different quantum algorithms. Due to the error-prone nature of…

Quantum Physics · Physics 2026-05-06 Lauri Vuorenkoski , Arianne Meijer-van de Griend

We propose a quantum algorithm to compute low-energy expectation values of a quantum Hamiltonian by sampling a partition function associated with the average energy of that Hamiltonian. For any given quantum circuit-Hamiltonian pair, there…

Quantum Physics · Physics 2022-03-14 Judah F. Unmuth-Yockey

We develop a classical shadow tomography protocol utilizing the randomized measurement scheme based on hybrid quantum circuits, which consist of layers of two-qubit random unitary gates mixed with single-qubit random projective…

Quantum Physics · Physics 2023-09-26 Ahmed A. Akhtar , Hong-Ye Hu , Yi-Zhuang You

Partitioning a set of elements into an unknown number of mutually exclusive subsets is essential in many machine learning problems. However, assigning elements, such as samples in a dataset or neurons in a network layer, to an unknown and…

Machine Learning · Computer Science 2023-11-10 Thomas M. Sutter , Alain Ryser , Joram Liebeskind , Julia E. Vogt

The estimation of covariance operators of spatio-temporal data is in many applications only computationally feasible under simplifying assumptions, such as separability of the covariance into strictly temporal and spatial factors.Powerful…

Statistics Theory · Mathematics 2020-03-30 Holger Dette , Gauthier Dierickx , Tim Kutta

Quantum state tomography is a fundamental problem in quantum computing. Given $n$ copies of an unknown $N$-qubit state $\rho \in \mathbb{C}^{d \times d},d=2^N$, the goal is to learn the state up to an accuracy $\epsilon$ in trace distance,…

Quantum Physics · Physics 2025-02-26 Jayadev Acharya , Abhilash Dharmavarapu , Yuhan Liu , Nengkun Yu

Informationally complete measurements allow the estimation of expectation values of any operator on a quantum system, by changing only the data-processing of the measurement outcomes. In particular, an informationally complete measurement…

Quantum Physics · Physics 2007-05-23 G. M. D'Ariano , P. Perinotti , M. F. Sacchi

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

The weak value, the average result of a weak measurement, has proven useful for probing quantum and classical systems. Examples include the amplification of small signals, investigating quantum paradoxes, and elucidating fundamental quantum…

Quantum Physics · Physics 2019-12-24 A. Hariri , D. Curic , L. Giner , J. S. Lundeen

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

In an ideal quantum measurement, the wave function of a quantum system collapses to an eigenstate of the measured observable, and the corresponding eigenvalue determines the measurement outcome. If the observable commutes with the system…

Quantum Physics · Physics 2020-02-13 Dayou Yang , Andrey Grankin , Lukas M. Sieberer , Denis V. Vasilyev , Peter Zoller

Pauli-based computation (PBC) is a universal measurement-based quantum computation model steered by an adaptive sequence of independent and compatible Pauli measurements on separable magic-state qubits. Here, we propose several new…

Quantum Physics · Physics 2025-12-03 Filipa C. R. Peres , Ernesto F. Galvão

Many quantum algorithms have daunting resource requirements when compared to what is available today. To address this discrepancy, a quantum-classical hybrid optimization scheme known as "the quantum variational eigensolver" was developed…

Quantum Physics · Physics 2016-02-05 Jarrod R. McClean , Jonathan Romero , Ryan Babbush , Alán Aspuru-Guzik

Measurements are a vital part of any quantum computation, whether as a final step to retrieve results, as an intermediate step to inform subsequent operations, or as part of the computation itself (as in measurement-based quantum…

Quantum Physics · Physics 2023-04-14 Stefanie J. Beale , Joel J. Wallman