# Kosuke Mitarai's research while affiliated with Osaka University and other places

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## Publications (78)

We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The $\texttt{PREPARE}$ circuit generates a quantum state which encodes the coefficients of the terms in the Hamiltonian as...

When estimating the eigenvalues of a given observable, even fault-tolerant quantum computers will be subject to errors, namely algorithmic errors. These stem from approximations in the algorithms implementing the unitary passed to phase estimation to extract the eigenvalues, e.g. Trotterisation or qubitisation. These errors can be tamed by increasi...

Grover adaptive search (GAS) is a quantum exhaustive search algorithm designed to solve binary optimization problems. In this paper, we propose higher-order binary formulations that can simultaneously reduce the numbers of qubits and gates required for GAS. Specifically, we consider two novel strategies: one that reduces the number of gates through...

Quantum computers (QCs), which work based on the law of quantum mechanics, are expected to be faster than classical computers in several computational tasks such as prime factoring and simulation of quantum many-body systems. In the last decade, research and development of QCs have rapidly advanced. Now hundreds of physical qubits are at our dispos...

We experimentally demonstrate a virtual two-qubit gate and characterize it using quantum process tomography (QPT). The virtual two-qubit gate decomposes an actual two-qubit gate into single-qubit operations and projective measurements in quantum circuits for expectation-value estimation. We implement projective measurements via mid-circuit dispersi...

We introduce the first large-scale dataset, MNISQ, for both the Quantum and the Classical Machine Learning community during the Noisy Intermediate-Scale Quantum era. MNISQ consists of 4,950,000 data points organized in 9 subdatasets. Building our dataset from the quantum encoding of classical information (e.g., MNIST dataset), we deliver a dataset...

Quantum computation is expected to accelerate certain computational task over classical counterpart. Its most primitive advantage is its ability to sample from classically intractable probability distributions. A promising approach to make use of this fact is the so-called quantum-enhanced Markov chain Monte Carlo (MCMC) [D. Layden, et al., arXiv:2...

Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on quantum computers. The benefit of using quantum computers is that we can start the perturbation from a Hamiltoni...

Quantum simulation is one of the key applications of quantum computing, which accelerates research and development in the fields such as chemistry and material science. The recent development of noisy intermediate-scale quantum (NISQ) devices urges the exploration of applications without the necessity of quantum error correction. In this paper, we...

In this paper we investigate the application of quantum and quantum-inspired machine learning algorithms to stock return predictions. Specifically, we evaluate performance of quantum neural network, an algorithm suited for noisy intermediate-scale quantum computers, and tensor network, a quantum-inspired machine learning algorithm, against classica...

We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron Hamiltonians on noisy quantum devices. Suppose that an approximate ground state can be prepared on a quantum computer either by variational quantum eigensolver or by som...

Quantum machine learning has the potential to computationally outperform classical machine learning, but it is not yet clear whether it will actually be valuable for practical problems. While some artificial scenarios have shown that certain quantum machine learning techniques may be advantageous compared to their classical counterpart, it is unlik...

We propose an efficient and almost optimal scheme for measuring molecular Hamiltonians in quantum chemistry on quantum computers, which requires $2N^2$ distinct measurements in the leading order with $N$ being the number of molecular orbitals. It achieves the state-of-the-art by improving a previous proposal by Bonet-Monroig et al. [Phys. Rev. X 10...

Pricing a multi-asset derivative is an important problem in financial engineering, both theoretically and practically. Although it is suitable to numerically solve partial differential equations to calculate the prices of certain types of derivatives, the computational complexity increases exponentially as the number of underlying assets increases...

t-stochastic neighbor embedding (t-SNE) is a nonparametric data visualization method in classical machine learning. It maps the data from the high-dimensional space into a low-dimensional space, especially a two-dimensional plane, while maintaining the relationship or similarities between the surrounding points. In t-SNE, the initial position of th...

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state of a quantum system and is expected to work on even such a device. The deep VQE [K. Fujii, et al., arXiv:2007...

Variational quantum algorithms (VQAs) have been proposed as one of the most promising approaches to demonstrate quantum advantage on noisy intermediate-scale quantum (NISQ) devices. However, it has been unclear whether VQAs can maintain quantum advantage under the intrinsic noise of the NISQ devices, which deteriorates the quantumness. Here we prop...

The implementation of time-evolution operators on quantum circuits is important for quantum simulation. However, the standard method, Trotterization, requires a huge number of gates to achieve desirable accuracy. Here, we propose a local variational quantum compilation (LVQC) algorithm, which allows us to accurately and efficiently compile time-evo...

Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on quantum computers. The benefit of using quantum computers is that we can start the perturbation from a Hamiltoni...

Quantum-inspired singular value decomposition (SVD) is a technique to perform SVD in logarithmic time with respect to the dimension of a matrix, given access to the matrix embedded in a segment-tree data structure. The speedup is possible through the efficient sampling of matrix elements according to their norms. Here, we apply it to extreme learni...

Measuring expectation values of observables is an essential ingredient in variational quantum algorithms. A practical obstacle is the necessity of a large number of measurements for statistical convergence to meet requirements of precision, such as chemical accuracy in the application to quantum chemistry computations. Here we propose an algorithm...

Variational quantum algorithms are considered to be appealing applications of near-term quantum computers. However, it has been unclear whether they can outperform classical algorithms or not. To reveal their limitations, we must seek a technique to benchmark them on large-scale problems. Here we propose a perturbative approach for efficient benchm...

Pricing a multi-asset derivative is an important problem in financial engineering, both theoretically and practically. Although it is suitable to numerically solve partial differential equations to calculate the prices of certain types of derivatives, the computational complexity increases exponentially as the number of underlying assets increases...

The variational quantum eigensolver (VQE), which has attracted attention as a promising application of noisy intermediate-scale quantum devices, finds a ground state of a given Hamiltonian by variationally optimizing the parameters of quantum circuits called Ansätze. Since the difficulty of the optimization depends on the complexity of the problem...

The demonstration of quantum error correction (QEC) is one of the most important milestones in the realization of fully-fledged quantum computers. Toward this, QEC experiments using the surface codes have recently been actively conducted. However, it has not yet been realized to protect logical quantum information beyond the physical coherence time...

Implementing time evolution operators on quantum circuits is important for quantum simulation. However, the standard way, Trotterization, requires a huge numbers of gates to achieve desirable accuracy. Here, we propose a local variational quantum compilation (LVQC) algorithm, which allows to accurately and efficiently compile a time evolution opera...

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the system dimension, where the interactions between divided subsystems are taken as an effective Hamiltonian expanded...

Variational quantum eigensolver (VQE) is an appealing candidate for the application of near-term quantum computers. A technique introduced in [Higgot et al., Quantum 3, 156 (2019)10.22331/q-2019-07-01-156], which is named variational quantum deflation (VQD), has extended the ability of the VQE framework for finding excited states of a Hamiltonian....

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. Variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state of a quantum system and expected to work on even such a device. The deep VQE [K. Fujii, et al., arXiv:2007.10917]...

t-Stochastic Neighbor Embedding (t-SNE) is a non-parametric data visualization method in classical machine learning. It maps the data from the high-dimensional space into a low-dimensional space, especially a two-dimensional plane, while maintaining the relationship, or similarities, between the surrounding points. In t-SNE, the initial position of...

Variational quantum eigensolver (VQE) is regarded as a promising candidate of hybrid quantum-classical algorithm for the near-term quantum computers. Meanwhile, VQE is confronted with a challenge that statistical error associated with the measurement as well as systematic error could significantly hamper the optimization. To circumvent this issue,...

Quantum circuits that are classically simulatable tell us when quantum computation becomes less powerful than or equivalent to classical computation. Such classically simulatable circuits are of importance because they illustrate what makes universal quantum computation different from classical computers. In this work, we propose a novel family of...

Measuring expectation values of observables is an essential ingredient in variational quantum algorithms. A practical obstacle is the necessity of a large number of measurements for statistical convergence to meet requirements of precision, such as chemical accuracy in the application to quantum chemistry computations. Here we propose an algorithm...

The kernel trick allows us to employ high-dimensional feature space for a machine learning task without explicitly storing features. Recently, the idea of utilizing quantum systems for computing kernel functions using interference has been demonstrated experimentally. However, the dimension of feature spaces in those experiments have been smaller t...

Variational quantum algorithms (VQA) have been proposed as one of the most promising approaches to demonstrate quantum advantage on noisy intermediate-scale quantum (NISQ) devices. However, it has been unclear whether VQA algorithms can maintain quantum advantage under the intrinsic noise of the NISQ devices, which deteriorates the quantumness. Her...

We propose a sampling-based simulation for fault-tolerant quantum error correction under coherent noise. A mixture of incoherent and coherent noise, possibly due to over-rotation, is decomposed into Clifford channels with a quasiprobability distribution. Then, an unbiased estimator of the logical error probability is constructed by sampling Cliffor...

Quantum kernel method is one of the key approaches to quantum machine learning, which has the advantages that it does not require optimization and has theoretical simplicity. By virtue of these properties, several experimental demonstrations and discussions of the potential advantages have been developed so far. However, as is the case in classical...

To explore the possibilities of a near-term intermediate-scale quantum algorithm and long-term fault-tolerant quantum computing, a fast and versatile quantum circuit simulator is needed. Here, we introduce Qulacs, a fast simulator for quantum circuits intended for research purpose. We show the main concepts of Qulacs, explain how to use its feature...

Variational quantum eigensolver (VQE), which attracts attention as a promising application of noisy intermediate-scale quantum devices, finds a ground state of a given Hamiltonian by variationally optimizing the parameters of quantum circuits called ansatz. Since the difficulty of the optimization depends on the complexity of the problem Hamiltonia...

Reservoir computing is a framework used to exploit natural nonlinear dynamics with many degrees of freedom, which is called a reservoir, for a machine learning task. Here we introduce the NMR implementation of quantum reservoir computing and quantum extreme learning machine using the nuclear quantum reservoir. The implementation utilizes globally c...

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers, owing to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will probably not be available in the near future. Current quantum de...

Due to the linearity of quantum operations, it is not straightforward to implement nonlinear transformations on a quantum computer, making some practical tasks like a neural network hard to be achieved. In this work, we define a task called nonlinear transformation of complex amplitudes and provide an algorithm to achieve this task. Specifically, w...

We propose a method for learning temporal data using a parametrized quantum circuit. We use the circuit that has a similar structure as the recurrent neural network, which is one of the standard approaches employed for this type of machine learning task. Some of the qubits in the circuit are utilized for memorizing past data, while others are measu...

We propose a sampling-based simulation for fault-tolerant quantum error correction under coherent noise. A mixture of incoherent and coherent noise, possibly due to over-rotation, is decomposed into Clifford channels with a quasi-probability distribution. Then, an unbiased estimator of the logical error probability is constructed by sampling Cliffo...

Quantum circuits that are classically simulatable tell us when quantum computation becomes less powerful than or equivalent to classical computation. Such classically simulatable circuits are of importance because they illustrate what makes universal quantum computation different from classical computers. In this work, we propose a novel family of...

We show a certain kind of non-local operations can be simulated by sampling a set of local operations with a quasi-probability distribution when the task of a quantum circuit is to evaluate an expectation value of observables. Utilizing the result, we describe a strategy to decompose a two-qubit gate to a sequence of single-qubit operations. Requir...

As the hardware technology for quantum computing advances, its possible applications are actively searched and developed. However, such applications still suffer from the noise on quantum devices, in particular when using two-qubit gates whose fidelity is relatively low. One way to overcome this difficulty is to substitute such non-local operations...

We propose a method for learning temporal data using a parametrized quantum circuit. We use the circuit that has a similar structure as the recurrent neural network which is one of the standard approaches employed for this type of machine learning task. Some of the qubits in the circuit are utilized for memorizing past data, while others are measur...

Applications such as simulating large quantum systems or solving large-scale linear algebra problems are immensely challenging for classical computers due their extremely high computational cost. Quantum computers promise to unlock these applications, although fault-tolerant quantum computers will likely not be available for several years. Currentl...

We propose a quantum-classical hybrid algorithm to simulate the nonequilibrium steady state of an open quantum many-body system, named the dissipative-system variational quantum eigensolver (dVQE). To employ the variational optimization technique for a unitary quantum circuit, we map a mixed state into a pure state with a doubled number of qubits a...

We introduce Qulacs, a fast simulator for quantum circuits intended for research purpose. To explore the possibilities of a near-term intermediate-scale quantum algorithm and long-term fault-tolerant quantum computing, a fast and versatile quantum circuit simulator is needed. Herein we show the main concepts of Qulacs, explain how to use its featur...

Variational quantum algorithms are appealing applications of near-term quantum computers. However, there are two major issues to be solved, that is, we need an efficient initialization strategy for parametrized quantum circuit and to know the limitation of the algorithms by benchmarking it on large scale problems. Here, we propose a perturbative ap...

We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC variationally determines the coupled cluster amplitudes and also molecular orbital coefficients. Owing to its fully variational nature, first-order properties are readily availab...

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate variational quantum eigensolver (VQE) with reducing the dimensions of the system, where the interactions between divided subsystems are taken as an effective Hamiltonian expanded...

We developed an advanced 2ω method for thermal conductivity (κ) measurements that is also applicable to samples with a wide range of thicknesses, to which the flash method cannot be applied. The conventional 2ω method, which features a simple setup combined with thermoreflectance, is a κ measurement method for thin films on substrates. However, it...

As the hardware technology for quantum computing advances, its possible applications are actively searched and developed. However, such applications still suffer from the noise on quantum devices, in particular when using two-qubit gates whose fidelity is relatively low. One way to overcome this difficulty is to substitute such non-local operations...

Variational quantum eigensolver (VQE) is an appealing candidate for the application of near-term quantum computers. A technique introduced in [Higgot et al., Quantum 3, 156 (2019)], which is named variational quantum deflation (VQD), has extended the ability of the VQE framework for finding excited states of a Hamiltonian. However, no method to eva...

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are certainly important quantities which determine properties of a given system, their derivatives with respect to param...

We employ so-called quantum kernel estimation to exploit complex quantum dynamics of solid-state nuclear magnetic resonance for machine learning. We propose to map an input to a feature space by input-dependent Hamiltonian evolution, and the kernel is estimated by the interference of the evolution. Simple machine learning tasks, namely one-dimensio...

The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. To extend the framework to excited states, we here propose an algorithm, the subspace-search variational quantum eigensolver (SSVQE). This algorithm searches a...

We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC variationally determines the coupled cluster amplitudes and also molecular orbital coefficients. Owing to its fully variational nature, first-order properties are readily availab...

We show a certain kind of non-local operations can be decomposed into a sequence of local operations. Utilizing the result, we describe a strategy to decompose a general two-qubit gate to a sequence of single-qubit operations. Required operations are projective measurement of a qubit in Pauli basis, and $\pi/2$ rotation around x, y, and z axes. The...

We propose a quantum-classical hybrid algorithm to simulate the non-equilibrium steady state of an open quantum many-body system, named the dissipative-system Variational Quantum Eigensolver (dVQE). To employ the variational optimization technique for a unitary quantum circuit, we map a mixed state into a pure state with a doubled number of qubits...

In quantum computing, the indirect measurement of unitary operators such as the Hadamard test plays a significant role in many algorithms. However, in certain cases, the indirect measurement can be reduced to the direct measurement, where a quantum state is destructively measured. Here, we investigate under what conditions such a replacement is pos...

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are certainly important quantities which determines properties of a given system, their derivatives with respect to para...

The variational quantum eigensolver (VQE) is an attractive possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the expectation value of the Hamiltonian with respect to an ansatz state by tuning parameters θ on a quantum circuit,...

Quantum simulation is one of the key applications of quantum computing, which can accelerate research and development in chemistry, material science, etc. Here, we propose an efficient method to simulate the time evolution driven by a static Hamiltonian, named subspace variational quantum simulator (SVQS). SVQS employs the subspace-search variation...

Many quantum algorithms, such as the Harrow-Hassidim-Lloyd (HHL) algorithm, depend on oracles that efficiently encode classical data into a quantum state. The encoding of the data can be categorized into two types: analog encoding, where the data are stored as amplitudes of a state, and digital encoding, where they are stored as qubit strings. The...

In quantum computing, the indirect measurement of unitary operators such as the Hadamard test plays a significant role in many algorithms. However, in certain cases, the indirect measurement can be reduced to the direct measurement, where a quantum state is destructively measured. Here we investigate in what cases such a replacement is possible and...

The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [Peruzzo et al.; \textit{Nat. Commun.}; \textbf{5}, 4213 (2014)] focused only on finding a ground state, whereas the excited states can also i...

The variational quantum eigensolver (VQE) is an attracting possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the expectation value of the Hamiltonian with respect to an ansatz state by tuning parameters \(\bm{\theta}\) on a qua...

We experimentally demonstrate quantum machine learning using NMR based on a framework of quantum reservoir computing. Reservoir computing is for exploiting natural nonlinear dynamics with large degrees of freedom, which is called a reservoir, for a machine learning purpose. Here we propose a concrete physical implementation of a quantum reservoir u...

Many quantum algorithms, such as Harrow-Hassidim-Lloyd (HHL) algorithm, depend on oracles that efficiently encode classical data into a quantum state. The encoding of the data can be categorized into two types; analog-encoding where the data are stored as amplitudes of a state, and digital-encoding where they are stored as qubit-strings. The former...

Quantum reservoir computing provides a framework for exploiting the natural dynamics of quantum systems as a computational resource. It can implement real-time signal processing and solve temporal machine learning problems in general, which requires memory and nonlinear mapping of the recent input stream using the quantum dynamics in computational...

We propose a classical-quantum hybrid algorithm for machine learning on near-term quantum processors, which we call quantum circuit learning. A quantum circuit driven by our framework learns a given task by tuning parameters implemented on it. The iterative optimization of the parameters allows us to circumvent the high-depth circuit. Theoretical i...

## Citations

... There is no need for the preparation to be perfect, but the squared overlap with the target state is a factor in the success probability of the entire algorithm. Note that in contrast to some prior art [33,23], this state preparation is not part of the main routine and thus appears only O(1) times: we could therefore allow ASP to contain more costly state preparation routines such as in Refs. [18,20,21]. ...

... For example, while Shor's algorithm for factoring is not a near-term algorithm, recently a VHQCA for factoring was introduced potentially making factoring nearer term [19]. Other VHQCAs have been proposed for chemistry [20][21][22][23], simulation [24][25][26][27][28], data compression [29], state diagonalization [30][31][32], compiling [33,34], quantum foundations [35], fidelity estimation [36], and metrology [37]. ...

Reference: Variational Quantum Linear Solver

... The motivation comes from the fact that qubits, compared to classical bits, are allowed quantum mechanically to be in a state of superposition, from which one anticipates that quantum computers should be able to achieve much higher computational power than classical (super-) computers. The applications of quantum algorithms in finance include portfolio optimization [53], the computation of risk measures such as Value at Risk (VAR) [62], and option pricing, particularly in the Black-Scholes model [15,21,26,38,50,52,53,57]. We also refer to the monograph [36] and surveys [24,46] for (further) applications of quantum computing in finance. ...

... Previous studies have explored various strategies to reduce the necessary quantum resources in solving quantum chemical problems, including qubit-reduction methods [27][28][29][30][31][32][33][34], heuristics ansatz construction methods [35][36][37][38], circuit depth reduction methods [39,40] and heuristics parameter training methods [41,42]. Specifically, to address the issue of limited size in current NISQ devices, [28,30,32,33] employed the quantum embedding theory to partition the molecular Hamiltonian into smaller fragments. ...

... For example, Kawase [4] et al. proposed to use the parameter t-SNE of quantum neural network to reflect the properties of high-dimensional quantum data on low-dimensional data to improve the efficiency of neural network in processing data. osakabe [5] et al. proposed a Hebb rule-based learning method for quantum neural network, in which Hebb and inverse Hebb rules improve the learning performance of neural network. ...

... The concept of low-rank (approximate) decompositions of quantum states or operations into more easily treatable basic objects appears in a variety of forms: For example, the work [18] also discusses -in addition to state vector decompositions -decompositions of non-Clifford unitaries into sums of Clifford operations. In Ref. [45], a similar approach was taken to approximately decompose non-Gaussian fermionic unitary operations into linear combinations of Gaussian channels. In all these cases, the main challenge is to identify optimal (or simply good) decompositions (e.g., in terms of rank or an extent-like quantity). ...

... For simulations of closed-system dynamics, various methods have been developed, such as hybrid classicalquantum variational approaches [37][38][39][40], quantum tensor networks [41][42][43], and quantum signal processing techniques [44,45]. In this work, we consider the Trotter-Suzuki product formula [46,47] suitable for closed-system simulations on NISQ devices [48,49]. ...

... That a measurement collapses and hence destroys the quantum state under measurement is not an issue of VQCs themselves. Yet, to find ways to mitigate this issue would constitute an important progress [25][26][27][28][29]. ...

Reference: Adiabatic quantum learning

... And if we follow this route, is it sufficient to use matchgate circuits, which offer both control and classical simulability [98]? Or can we do the adaptation with Clifford-only circuits [99]? If this is the case, the advantage of QCNN has to come directly from data, assuming that embedding of features corresponds to non-trivial quantum processes that cannot be probed otherwise. ...

... Q-HMFT may be implemented with other technologies, in particular those hosting native XY gates [33] capable to realize different 2D lattices [81]. Moreover, the simulation of 2D Hamiltonians hosting exact VBS ground-states [65,82] via Q-HMFT offers a means for benchmarking quantum devices [83]. In addition, the symmetryguided construction of the PQC makes it suitable for developing error mitigation strategies [84], or the description of low-energy excitations over the ground-state [42,85]. ...