arXiv subjects

Yohichi Suzuki

Publications and source records attributed to Yohichi Suzuki.

14 recordsLinked to original sources

arXiv2026

Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations

Auger electron spectroscopy, a way of characterizing electronic structure through core-level decay processes, is widely used in materials characterization; however direct calculation from molecular geometry requires accurate treatment of many excited states, posing a challenge for classical methods. We present a hybrid quantum-classical workflow for calculating Auger spectra that combines the generative quantum eigensolver (GQE) for ground-state preparation, the quantum self-consistent equation-of-motion method for excited-state calculations, and the one-centre approximation for Auger transition rates. GQE uses a GPT-2 model to generate quantum circuits for ground-state optimization, allowing our workflow to benefit from HPC parallelization and GPU-acceleration for favourable scaling with system size. We demonstrate the validity of our workflow by calculating the Auger spectrum of water with the STO-3G basis set and demonstrating qualitative and quantitative agreement with spectra obtained using completely classical full configuration interaction calculations, from the computational literature, and from the experimental literature. We also find that for water, substituting the variational quantum eigensolver (VQE) for GQE results in near-identical spectra, but that the ground state estimator generated by GQE contains about half the total gate count as that generated by VQE.

quant-ph↗

arXiv2026

Quantum Gradient Flow Algorithm for Symmetric Positive Definite Systems via Quantum Eigenvalue Transformation: Towards Quantum CAE

In this study, we propose the Quantum Gradient Flow Algorithm (QGFA), a novel quantum algorithm for solving symmetric positive definite (SPD) linear systems based on the variational formulation and time-evolution dynamics. Conventional quantum linear solvers, such as the quantum matrix inverse algorithm (QMIA), focus on approximating the matrix inverse through quantum signal processing (QSP). However, QMIA suffers from a crucial drawback: its computational efficiency deteriorates as the condition number increases. In contrast, classical SPD linear solvers, such as the steepest descent and conjugate gradient methods, are known for their fast convergence, which stems from the variational optimization principle of SPD systems. Inspired by this, we develop QGFA, which obtains the solution vector through the gradient-flow process of the corresponding quadratic energy functional. To validate the proposed method, we apply QGFA to the displacement-based finite element method (FEM) for two-dimensional linear elastic problems under plane stress conditions. The algorithm demonstrates accurate convergence toward classical FEM solutions even with a moderate number of QSP phase factors. Compared with QMIA, QGFA achieves lower relative errors and faster convergence when initialized with suitable initial states, demonstrating its potential as an efficient preconditioned quantum linear solver. The proposed framework provides a physically interpretable connection between classical iterative solvers and quantum computational paradigms. These findings suggest that QGFA can serve as a foundation for future developments in Quantum Computer-Aided Engineering (Quantum CAE), including nonlinear and multiphysics simulations.

quant-ph↗

arXiv2025

QCoder Benchmark: Bridging Language Generation and Quantum Hardware through Simulator-Based Feedback

Large language models (LLMs) have increasingly been applied to automatic programming code generation. This task can be viewed as a language generation task that bridges natural language, human knowledge, and programming logic. However, it remains underexplored in domains that require interaction with hardware devices, such as quantum programming, where human coders write Python code that is executed on a quantum computer. To address this gap, we introduce QCoder Benchmark, an evaluation framework that assesses LLMs on quantum programming with feedback from simulated hardware devices. Our benchmark offers two key features. First, it supports evaluation using a quantum simulator environment beyond conventional Python execution, allowing feedback of domain-specific metrics such as circuit depth, execution time, and error classification, which can be used to guide better generation. Second, it incorporates human-written code submissions collected from real programming contests, enabling both quantitative comparisons and qualitative analyses of LLM outputs against human-written codes. Our experiments reveal that even advanced models like GPT-4o achieve only around 18.97% accuracy, highlighting the difficulty of the benchmark. In contrast, reasoning-based models such as o3 reach up to 78% accuracy, outperforming averaged success rates of human-written codes (39.98%). We release the QCoder Benchmark dataset and public evaluation API to support further research. (Codes and datasets are available at https://qcoder-bench.github.io/ )

cs.CL↗

arXiv2025

QuantumBench: A Benchmark for Quantum Problem Solving

Large language models are now integrated into many scientific workflows, accelerating data analysis, hypothesis generation, and design space exploration. In parallel with this growth, there is a growing need to carefully evaluate whether models accurately capture domain-specific knowledge and notation, since general-purpose benchmarks rarely reflect these requirements. This gap is especially clear in quantum science, which features non-intuitive phenomena and requires advanced mathematics. In this study, we introduce QuantumBench, a benchmark for the quantum domain that systematically examine how well LLMs understand and can be applied to this non-intuitive field. Using publicly available materials, we compiled approximately 800 questions with their answers spanning nine areas related to quantum science and organized them into an eight-option multiple-choice dataset. With this benchmark, we evaluate several existing LLMs and analyze their performance in the quantum domain, including sensitivity to changes in question format. QuantumBench is the first LLM evaluation dataset built for the quantum domain, and it is intended to guide the effective use of LLMs in quantum research.

cs.AI↗

arXiv2025

Adaptive measurement strategy for noisy quantum amplitude estimation with variational quantum circuits

In quantum computation, amplitude estimation is a fundamental subroutine that is utilized in various quantum algorithms. A general important task of such estimation problems is to characterize the estimation lower bound, which is referred to as quantum Cramér-Rao bound (QCRB), and to construct an optimal estimator that achieves QCRB. This paper studies the amplitude estimation in the presence of depolarizing noise with unknown intensity. The main difficulty in this problem is that the optimal measurement depends on both the unknown quantum state and the amplitude we aim to estimate. To deal with these issues, we utilize the variational quantum circuits to approximate the (unknown) optimal measurement basis combined with the 2-step adaptive estimation strategy which was proposed in the quantum estimation theory.We numerically show that the proposed method can nearly attain the QCRB.

quant-ph↗

arXiv2025

Generative quantum combinatorial optimization by means of a novel conditional generative quantum eigensolver

Quantum computing is entering a transformative phase with the emergence of logical quantum processors, which hold the potential to tackle complex problems beyond classical capabilities. While significant progress has been made, applying quantum algorithms to real-world problems remains challenging. Hybrid quantum-classical techniques have been explored to bridge this gap, but they often face limitations in expressiveness, trainability, or scalability. In this work, we introduce conditional Generative Quantum Eigensolver (conditional-GQE), a context-aware quantum circuit generator powered by an encoder-decoder Transformer. Focusing on combinatorial optimization, we train our generator for solving problems with up to 10 qubits, exhibiting nearly perfect performance on new problems. By leveraging the high expressiveness and flexibility of classical generative models, along with an efficient preference-based training scheme, conditional-GQE provides a generalizable and scalable framework for quantum circuit generation. Our approach advances hybrid quantum-classical computing and contributes to accelerate the transition toward fault-tolerant quantum computing.

quant-ph↗

arXiv2024

Approximate complex amplitude encoding algorithm and its application to data classification problems

Quantum computing has a potential to accelerate the data processing efficiency, especially in machine learning, by exploiting special features such as the quantum interference. The major challenge in this application is that, in general, the task of loading a classical data vector into a quantum state requires an exponential number of quantum gates. The approximate amplitude encoding (AAE) method, which uses a variational means to approximately load a given real-valued data vector into the amplitude of a quantum state, was recently proposed as a general approach to this problem mainly for near-term devices. However, AAE cannot load a complex-valued data vector, which narrows its application range. In this work, we extend AAE so that it can handle a complex-valued data vector. The key idea is to employ the fidelity distance as a cost function for optimizing a parameterized quantum circuit, where the classical shadow technique is used to efficiently estimate the fidelity and its gradient. We apply this algorithm to realize the complex-valued-kernel binary classifier called the compact Hadamard classifier, and then give a numerical experiment showing that it enables classification of Iris dataset and credit card fraud detection.

quant-ph↗

arXiv2024

Noise Robustness of Quantum Relaxation for Combinatorial Optimization

QRAO (Quantum Random Access Optimization) is a relaxation algorithm that reduces the number of qubits required to solve a problem by encoding multiple variables per qubit using QRAC (Quantum Random Access Code). Reducing the number of qubits is a common way of dealing with the impact of noise on a quantum algorithm. Our interest lies in the impact of noise on the quality of the binary solution of QRAO, which is unknown. We demonstrate that the mean approximation ratio of the (3, 1)-QRAC Hamiltonian, i.e., the Hamiltonian utilizing the encoding of 3 bits into 1 qubit by QRAC, is less affected by noise compared to the Ising Hamiltonian used in quantum annealer and QAOA (Quantum Approximate Optimization Algorithm). Based on this observation, we discuss a plausible mechanism behind the robustness of QRAO under depolarizing noise. Finally, we assess the number of shots required to estimate the values of binary variables correctly under depolarizing noise and show that the (3, 1)-QRAC Hamiltonian requires less shots to achieve the same accuracy compared to the Ising Hamiltonian.

quant-ph↗

arXiv2022

Approximate amplitude encoding in shallow parameterized quantum circuits and its application to financial market indicator

Efficient methods for loading given classical data into quantum circuits are essential for various quantum algorithms. In this paper, we propose an algorithm called Approximate Amplitude Encoding that can effectively load all the components of a given real-valued data vector into the amplitude of quantum state, while the previous proposal can only load the absolute values of those components. The key of our algorithm is to variationally train a shallow parameterized quantum circuit, using the results of two types of measurement; the standard computational-basis measurement plus the measurement in the Hadamard-transformed basis, introduced in order to handle the sign of the data components. The variational algorithm changes the circuit parameters so as to minimize the sum of two costs corresponding to those two measurement basis, both of which are given by the efficiently-computable maximum mean discrepancy. We also consider the problem of constructing the singular value decomposition entropy via the stock market dataset to give a financial market indicator; a quantum algorithm (the variational singular value decomposition algorithm) is known to produce a solution faster than classical, which yet requires the sign-dependent amplitude encoding. We demonstrate, with an in-depth numerical analysis, that our algorithm realizes loading of time-series of real stock prices on quantum state with small approximation error, and thereby it enables constructing an indicator of the financial market based on the stock prices.

quant-ph↗

arXiv2022

Noisy quantum amplitude estimation without noise estimation

Many quantum algorithms contain an important subroutine, the quantum amplitude estimation. As the name implies, this is essentially the parameter estimation problem and thus can be handled via the established statistical estimation theory. However, this problem has an intrinsic difficulty that the system, i.e., the real quantum computing device, inevitably introduces unknown noise; the probability distribution model then has to incorporate many nuisance noise parameters, resulting that the construction of an optimal estimator becomes inefficient and difficult. For this problem, we apply the theory of nuisance parameters (more specifically, the parameter orthogonalization method) to precisely compute the maximum likelihood estimator for only the target amplitude parameter, by removing the other nuisance noise parameters. That is, we can estimate the amplitude parameter without estimating the noise parameters. We validate the parameter orthogonalization method in a numerical simulation and study the performance of the estimator in the experiment using a real superconducting quantum device.

quant-ph↗

arXiv2021

Amplitude estimation via maximum likelihood on noisy quantum computer

Recently we find several candidates of quantum algorithms that may be implementable in near-term devices for estimating the amplitude of a given quantum state, which is a core sub- routine in various computing tasks such as the Monte Carlo methods. One of those algorithms is based on the maximum likelihood estimate with parallelized quantum circuits. In this paper, we extend this method so that it incorporates the realistic noise effect, and then give an experimental demonstration on a superconducting IBM Quantum device. The maximum likelihood estimator is constructed based on the model assuming the depolarization noise. We then formulate the problem as a two-parameters estimation problem with respect to the target amplitude parameter and the noise parameter. In particular we show that there exist anomalous target values, where the Fisher information matrix becomes degenerate and consequently the estimation error cannot be improved even by increasing the number of amplitude amplifications. The experimental demonstration shows that the proposed maximum likelihood estimator achieves quantum speedup in the number of queries, though the estimation error saturates due to the noise. This saturated value of estimation error is consistent to the theory, which implies the validity of the depolarization noise model and thereby enables us to predict the basic requirement on the hardware components (particularly the gate error) in quantum computers to realize the quantum speedup in the amplitude estimation task.

quant-ph↗

arXiv2021

Modified Grover operator for amplitude estimation

In this paper, we propose a quantum amplitude estimation method that uses a modified Grover operator and quadratically improves the estimation accuracy in the ideal case, as in the conventional one using the standard Grover operator. Under the depolarizing noise, the proposed method can outperform the conventional one in the sense that it can in principle achieve the ultimate estimation accuracy characterized by the quantum Fisher information in the limit of a large number of qubits, while the conventional one cannot achieve the same value of ultimate accuracy. In general this superiority requires a sophisticated adaptive measurement, but we numerically demonstrate that the proposed method can outperform the conventional one and approach to the ultimate accuracy, even with a simple non-adaptive measurement strategy.

quant-ph↗

arXiv2020

Amplitude estimation without phase estimation

This paper focuses on the quantum amplitude estimation algorithm, which is a core subroutine in quantum computation for various applications. The conventional approach for amplitude estimation is to use the phase estimation algorithm, which consists of many controlled amplification operations followed by a quantum Fourier transform. However, the whole procedure is hard to implement with current and near-term quantum computers. In this paper, we propose a quantum amplitude estimation algorithm without the use of expensive controlled operations; the key idea is to utilize the maximum likelihood estimation based on the combined measurement data produced from quantum circuits with different numbers of amplitude amplification operations. Numerical simulations we conducted demonstrate that our algorithm asymptotically achieves nearly the optimal quantum speedup with a reasonable circuit length.

quant-ph↗

arXiv2018

Possible influence of the Kuramoto length in a photo-catalytic water splitting reaction revealed by Poisson--Nernst--Planck equations involving ionization in a weak electrolyte

We studied ion concentration profiles and the charge density gradient caused by electrode reactions in weak electrolytes by using the Poisson--Nernst--Planck equations without assuming charge neutrality. In weak electrolytes, only a small fraction of molecules is ionized in bulk. Ion concentration profiles depend on not only ion transport but also the ionization of molecules. We considered the ionization of molecules and ion association in weak electrolytes and obtained analytical expressions for ion densities, electrostatic potential profiles, and ion currents. We found the case that the total ion density gradient was given by the Kuramoto length which characterized the distance over which an ion diffuses before association. The charge density gradient is characterized by the Debye length for 1:1 weak electrolytes. We discuss the role of these length scales for efficient water splitting reactions using photo-electrocatalytic electrodes.

cond-mat.soft↗