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We present a general approach to converge excited state solutions to any quantum chemistry orbital optimization process, without the risk of variational collapse. The resulting Square Gradient Minimization (SGM) approach only requires…

Chemical Physics · Physics 2020-03-11 Diptarka Hait , Martin Head-Gordon

Quantum Hamiltonian identification is important for characterizing the dynamics of quantum systems, calibrating quantum devices and achieving precise quantum control. In this paper, an effective two-step optimization (TSO) quantum…

Quantum Physics · Physics 2018-06-05 Yuanlong Wang , Daoyi Dong , Bo Qi , Jun Zhang , Ian R. Petersen , Hidehiro Yonezawa

We initiate the study of online quantum state tomography (QST), where the matrix representation of an unknown quantum state is reconstructed by sequentially performing a batch of measurements and updating the state estimate using only the…

Quantum Physics · Physics 2025-07-11 Jian-Feng Cai , Yuling Jiao , Yinan Li , Xiliang Lu , Jerry Zhijian Yang , Juntao You

We propose an efficient method for simultaneously optimizing both the structure and parameter values of quantum circuits with only a small computational overhead. Shallow circuits that use structure optimization perform significantly better…

Quantum Physics · Physics 2021-02-03 Mateusz Ostaszewski , Edward Grant , Marcello Benedetti

Minimizing the use of CNOT gates in quantum state preparation is a crucial step in quantum compilation, as they introduce coupling constraints and more noise than single-qubit gates. Reducing the number of CNOT gates can lead to more…

Information Theory · Computer Science 2024-09-05 Hanyu Wang , Bochen Tan , Jason Cong , Giovanni De Micheli

Computing the ground state of interacting quantum matter is a long-standing challenge, especially for complex two-dimensional systems. Recent developments have highlighted the potential of neural quantum states to solve the quantum…

Disordered Systems and Neural Networks · Physics 2025-07-03 Ao Chen , Markus Heyl

We describe a quantum algorithm for preparing states that encode solutions of non-homogeneous linear partial differential equations. The algorithm is a continuous-variable version of matrix inversion: it efficiently inverts differential…

Quantum Physics · Physics 2019-09-11 Juan Miguel Arrazola , Timjan Kalajdzievski , Christian Weedbrook , Seth Lloyd

We give two quantum algorithms for solving semidefinite programs (SDPs) providing quantum speed-ups. We consider SDP instances with $m$ constraint matrices, each of dimension $n$, rank at most $r$, and sparsity $s$. The first algorithm…

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

Quantum process tomography is a critical task for characterizing the dynamics of quantum systems and achieving precise quantum control. In this paper, we propose a two-stage solution for both trace-preserving and non-trace-preserving…

While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…

Quantum Physics · Physics 2009-05-29 Nicholas J. Ward , Ivan Kassal , Alán Aspuru-Guzik

Machine learning tasks are an exciting application for quantum computers, as it has been proven that they can learn certain problems more efficiently than classical ones. Applying quantum machine learning algorithms to classical data can…

Quantum Physics · Physics 2024-12-04 Bernhard Jobst , Kevin Shen , Carlos A. Riofrío , Elvira Shishenina , Frank Pollmann

Quantum Process Tomography (QPT) is a powerful tool to characterize quantum operations, but it requires considerable resources making it impractical for more than 2-qubit systems. This work proposes an alternative approach that requires…

Quantum Physics · Physics 2022-05-18 Vicente Leyton-Ortega , Tyler Kharazi , Raphael C. Pooser

This work introduces the Schmidt quantum compressor, an innovative approach to quantum data compression that leverages the principles of Schmidt decomposition to encode quantum information efficiently. In contrast to traditional variational…

Quantum Physics · Physics 2025-08-06 Israel F. Araujo , Hyeondo Oh , Nayeli A. Rodríguez-Briones , Daniel K. Park

The problems of quantum state preparation and matrix block-encoding are ubiquitous in quantum computing: they are crucial parts of various quantum algorithms for the purpose for initial state preparation as well as loading problem relevant…

Gaussian states hold a fundamental place in quantum mechanics, quantum information, and quantum computing. Many subfields, including quantum simulation of continuous-variable systems, quantum chemistry, and quantum machine learning, rely on…

Quantum Physics · Physics 2026-05-13 Yichen Xie , Nadav Ben-Ami

Finding the ground state of a Hamiltonian system is of great significance in many-body quantum physics and quantum chemistry. We propose an improved iterative quantum algorithm to prepare the ground state of a Hamiltonian. The crucial point…

Quantum Physics · Physics 2022-10-25 Jin-Min Liang , Qiao-Qiao Lv , Shu-Qian Shen , Ming Li , Zhi-Xi Wang , Shao-Ming Fei

This study explores robust entangled states described using the framework of discrete Wigner functions. Notably, these states are known to outperform the Bell state in measures of entanglement in the presence of non-Markovian noise. Our…

Quantum Physics · Physics 2025-05-01 Jai Lalita , Pavithran Iyer , Subhashish Banerjee

The task of Multiple Sequence Alignment (MSA) is a constrained combinatorial optimization problem that is generally considered a complex computational problem. In this paper, we first present a binary encoding of MSA and devise a…

We develop a new projected wave function approach which is based on projection operators in the form of matrix-product operators (MPOs). Our approach allows to variationally improve the short range entanglement of a given trial wave…

Computational Physics · Physics 2015-06-04 Chung-Pin Chou , Frank Pollmann , Ting-Kuo Lee
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