arXiv subjects

Kosuke Mitarai

Publications and source records attributed to Kosuke Mitarai.

At least 37 records · Page 2Linked to original sources

arXiv2024

Continuous optimization by quantum adaptive distribution search

In this paper, we introduce the quantum adaptive distribution search (QuADS), a quantum continuous optimization algorithm that integrates Grover adaptive search (GAS) with the covariance matrix adaptation - evolution strategy (CMA-ES), a classical technique for continuous optimization. QuADS utilizes the quantum-based search capabilities of GAS and enhances them with the principles of CMA-ES for more efficient optimization. It employs a multivariate normal distribution for the initial state of the quantum search and repeatedly updates it throughout the optimization process. Our numerical experiments show that QuADS outperforms both GAS and CMA-ES. This is achieved through adaptive refinement of the initial state distribution rather than consistently using a uniform state, resulting in fewer oracle calls. This study presents an important step toward exploiting the potential of quantum computing for continuous optimization.

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arXiv2024

Nonlinear transformation of complex amplitudes via quantum singular value transformation

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, we construct a block-encoding of complex amplitudes from a state preparation unitary. This allows us to transform the complex amplitudes by using quantum singular value transformation. We evaluate the required overhead in terms of input dimension and precision, which reveals that the algorithm depends on the roughly square root of input dimension and achieves an exponential speedup on precision compared with previous work. We also discuss its possible applications to quantum machine learning, where complex amplitudes encoding classical or quantum data are processed by the proposed method. This paper provides a promising way to introduce highly complex nonlinearity of the quantum states, which is essentially missing in quantum mechanics.

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arXiv2024

Accelerating Grover Adaptive Search: Qubit and Gate Count Reduction Strategies with Higher-Order Formulations

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 polynomial factorization, and the other that halves the order of the objective function, subsequently decreasing circuit runtime and implementation cost. Our analysis demonstrates that the proposed higher-order formulations improve the convergence performance of GAS by both reducing the search space size and the number of quantum gates. Our strategies are also beneficial for general combinatorial optimization problems using one-hot encoding.

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arXiv2024

Almost optimal measurement scheduling of molecular Hamiltonian via finite projective plane

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, 031064 (2020)] which exhibits $\frac{10}{3}N^2$ scaling in the leading order. We develop a novel method based on a finite projective plane to construct sets of simultaneously-measurable operators contained in molecular Hamiltonians. Each measurement only requires a depth-$O(N)$ circuit consisting of $O(N^2)$ one- and two-qubit gates under the Jordan-Wigner and parity mapping, assuming the linear connectivity of qubits on quantum hardwares. Because evaluating expectation values of molecular Hamiltonians is one of the major bottlenecks in the applications of quantum devices to quantum chemistry, our finding is expected to accelerate such applications.

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arXiv2024

Algorithmic error mitigation for quantum eigenvalues estimation

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 increasing the circuit complexity, which may be unfeasible in early-stage fault-tolerant devices. Rather, we propose in this work an error mitigation strategy that enables a reduction of the algorithmic errors up to any order, at the cost of evaluating the eigenvalues of a set of observables implementable with limited resources. The number of required observables is estimated and is shown to only grow polynomially with the number of terms in the Hamiltonian, and in some cases, linearly with the desired order of error mitigation. Our results show error reduction of several orders of magnitude in physically relevant cases, thus promise accurate eigenvalue estimation even in early fault-tolerant devices with limited number of qubits.

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arXiv2024

The cross-sectional stock return predictions via quantum neural network and tensor network

In this paper, we investigate the application of quantum and quantum-inspired machine learning algorithms to stock return predictions. Specifically, we evaluate the performance of quantum neural network, an algorithm suited for noisy intermediate-scale quantum computers, and tensor network, a quantum-inspired machine learning algorithm, against classical models such as linear regression and neural networks. To evaluate their abilities, we construct portfolios based on their predictions and measure investment performances. The empirical study on the Japanese stock market shows the tensor network model achieves superior performance compared to classical benchmark models, including linear and neural network models. Though the quantum neural network model attains a lowered risk-adjusted excess return than the classical neural network models over the whole period, both the quantum neural network and tensor network models have superior performances in the latest market environment, which suggests the capability of the model's capturing non-linearity between input features.

cs.LG↗

arXiv2023

Experimental demonstration of a high-fidelity virtual two-qubit gate

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 unitary gates and projection gates in quantum circuits for expectation-value estimation. We implement projection gates via mid-circuit measurements. The deterministic sampling scheme reduces the number of experimental circuit evaluations required for decomposing a virtual two-qubit gate. We also apply quantum error mitigation to suppress the effect of measurement errors and improve the average gate fidelity of a virtual controlled-$Z$ (CZ) gate to $f_{\rm av} = 0.9938 \pm 0.0002$. Our results highlight a practical approach to implement virtual two-qubit gates with high fidelities, which are useful for simulating quantum circuits using fewer qubits and implementing two-qubit gates on a distant pair of qubits.

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arXiv2023

Quantum Kernel t-Distributed Stochastic Neighbor Embedding

Data visualization is important in understanding the characteristics of data that are difficult to see directly. It is used to visualize loss landscapes and optimization trajectories to analyze optimization performance. Popular optimization analysis is performed by visualizing a loss landscape around the reached local or global minimum using principal component analysis. However, this visualization depends on the variational parameters of a quantum circuit rather than quantum states, which makes it difficult to understand the mechanism of optimization process through the property of quantum states. Here, we propose a quantum data visualization method using quantum kernels, which enables us to offer fast and highly accurate visualization of quantum states. In our numerical experiments, we visualize hand-written digits dataset and apply $k$-nearest neighbor algorithm to the low-dimensional data to quantitatively evaluate our proposed method compared with a classical kernel method. As a result, our proposed method achieves comparable accuracy to the state-of-the-art classical kernel method, meaning that the proposed visualization method based on quantum machine learning does not degrade the separability of the input higher dimensional data. Furthermore, we visualize the optimization trajectories of finding the ground states of transverse field Ising model and successfully find the trajectory characteristics. Since quantum states are higher dimensional objects that can only be seen via observables, our visualization method, which inherits the similarity of quantum data, would be useful in understanding the behavior of quantum circuits and algorithms.

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arXiv2023

A comprehensive survey on quantum computer usage: How many qubits are employed for what purposes?

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 disposal, and one can find several remarkable experiments actually outperforming the classical computer in a specific computational task. On the other hand, it is unclear what the typical usages of the QCs are. Here we conduct an extensive survey on the papers that are posted in the quant-ph section in arXiv and claim to have used QCs in their abstracts. To understand the current situation of the research and development of the QCs, we evaluated the descriptive statistics about the papers, including the number of qubits employed, QPU vendors, application domains and so on. Our survey shows that the annual number of publications is increasing, and the typical number of qubits employed is about six to ten, growing along with the increase in the quantum volume (QV). Most of the preprints are devoted to applications such as quantum machine learning, condensed matter physics, and quantum chemistry, while quantum error correction and quantum noise mitigation use more qubits than the other topics. These imply that the increase in QV is fundamentally relevant, and more experiments for quantum error correction, and noise mitigation using shallow circuits with more qubits will take place.

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arXiv2023

MNISQ: A Large-Scale Quantum Circuit Dataset for Machine Learning on/for Quantum Computers in the NISQ era

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 in a dual form: in quantum form, as circuits, and in classical form, as quantum circuit descriptions (quantum programming language, QASM). In fact, also the Machine Learning research related to quantum computers undertakes a dual challenge: enhancing machine learning exploiting the power of quantum computers, while also leveraging state-of-the-art classical machine learning methodologies to help the advancement of quantum computing. Therefore, we perform circuit classification on our dataset, tackling the task with both quantum and classical models. In the quantum endeavor, we test our circuit dataset with Quantum Kernel methods, and we show excellent results up to $97\%$ accuracy. In the classical world, the underlying quantum mechanical structures within the quantum circuit data are not trivial. Nevertheless, we test our dataset on three classical models: Structured State Space sequence model (S4), Transformer and LSTM. In particular, the S4 model applied on the tokenized QASM sequences reaches an impressive $77\%$ accuracy. These findings illustrate that quantum circuit-related datasets are likely to be quantum advantageous, but also that state-of-the-art machine learning methodologies can competently classify and recognize quantum circuits. We finally entrust the quantum and classical machine learning community the fundamental challenge to build more quantum-classical datasets like ours and to build future benchmarks from our experiments. The dataset is accessible on GitHub and its circuits are easily run in qulacs or qiskit.

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arXiv2023

QAOA-MC: Markov chain Monte Carlo enhanced by Quantum Alternating Operator Ansatz

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:2203.12497 (2022)] which uses outputs from quantum circuits as the proposal distributions. In this work, we propose the use of Quantum Alternating Operator Ansatz (QAOA) for quantum-enhanced MCMC and provide a strategy to optimize its parameter to improve convergence speed while keeping its depth shallow. The proposed QAOA-type circuit is designed to satisfy the specific constraint which quantum-enhanced MCMC requires with arbitrary parameters. Through our extensive numerical analysis, we find a correlation in certain parameter range between an experimentally measurable value, acceptance rate of MCMC, and the spectral gap of the MCMC transition matrix, which determines the convergence speed. This allows us to optimize the parameter in the QAOA circuit and achieve quadratic speedup in convergence. Since MCMC is used in various areas such as statistical physics and machine learning makes, this work represents an important step toward realizing practical quantum advantage with currently available quantum computers through quantum-enhanced MCMC.

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arXiv2023

Perturbation theory with quantum signal processing

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 Hamiltonian that is classically hard to solve. The proposed algorithm uses quantum signal processing (QSP) to achieve this goal. Along with the perturbation theory, we construct a technique for ground state preparation with detailed computational cost analysis, which can be of independent interest. We also estimate a rough computational cost of the algorithm for simple chemical systems such as water clusters and polyacene molecules. To the best of our knowledge, this is the first of such estimates for practical applications of QSP. Unfortunately, we find that the proposed algorithm, at least in its current form, does not exhibit practical numbers despite of the efficiency of QSP compared to conventional quantum algorithms. However, perturbation theory itself is an attractive direction to explore because of its physical interpretability; it provides us insights about what interaction gives an important contribution to the properties of systems. This is in sharp contrast to the conventional approaches based on the quantum phase estimation algorithm, where we can only obtain values of energy. From this aspect, this work is a first step towards ``explainable'' quantum simulation on fault-tolerant quantum computers.

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arXiv2023

Quantum-Selected Configuration Interaction: classical diagonalization of Hamiltonians in subspaces selected by quantum computers

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 some other method. Then, by sampling the state in the computational basis, which is hard for classical computation in general, one can identify the electron configurations that are important for reproducing the ground state. The Hamiltonian in the subspace spanned by those important configurations is diagonalized on classical computers to output the ground-state energy and the corresponding eigenvector. The excited-state energies can be obtained similarly. The result is robust against statistical and physical errors because the noisy quantum devices are used only to define the subspace, and the resulting ground-state energy strictly satisfies the variational principle even in the presence of such errors. The expectation values of various other operators can also be estimated for obtained eigenstates with no additional quantum cost, since the explicit eigenvectors in the subspaces are known. We verified our proposal by numerical simulations, and demonstrated it on a quantum device for an 8-qubit molecular Hamiltonian. The proposed algorithms are potentially feasible to tackle some challenging molecules by exploiting quantum devices with several tens of qubits, assisted by high-performance classical computing resources for diagonalization.

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arXiv2023

Subspace Variational Quantum Simulator

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 propose an efficient method to simulate quantum dynamics driven by a static Hamiltonian on NISQ devices, named subspace variational quantum simulator (SVQS). SVQS employs the subspace-search variational quantum eigensolver (SSVQE) to find a low-lying eigensubspace and extends it to simulate dynamics within the subspace with lower overhead compared to the existing schemes. We experimentally simulate the time-evolution operator in a low-lying eigensubspace of a hydrogen molecule. We also define the subspace process fidelity as a measure between two quantum processes in a subspace. The subspace time evolution mimicked by SVQS shows the subspace process fidelity of $0.88$-$0.98$.

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arXiv2023

Constructing Local Bases for a Deep Variational Quantum Eigensolver for Molecular Systems

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:2007.10917] is an extension of the original VQE algorithm, which takes a divide-and-conquer approach to relax the hardware requirement. While the deep VQE is successfully applied for spin models and periodic material, its validity on a molecule, where the Hamiltonian is highly nonlocal in the qubit basis, is still unexplored. Here, we discuss the performance of the deep VQE algorithm applied to quantum chemistry problems. Specifically, we examine different subspaceforming methods and compare their accuracy and complexity on a 10 H-atom treelike molecule as well as a 13 H-atom version. Additionally, we examine the performance on the natural occurring molecule retinal. This work also proposes multiple methods to lower the number of qubits required to calculate the ground state of a molecule. We find that the deep VQE can simulate the electron-correlation energy of the ground state to an error of below 1%, thus helping us to reach chemical accuracy in some cases. The accuracy differences and qubits' reduction highlights the basis creation method's impact on the deep VQE.

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arXiv2022

Quantum tangent kernel

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 machine learning, not all quantum machine learning models could be regarded as kernel methods. In this work, we explore a quantum machine learning model with a deep parameterized quantum circuit and aim to go beyond the conventional quantum kernel method. In this case, the representation power and performance are expected to be enhanced, while the training process might be a bottleneck because of the barren plateaus issue. However, we find that parameters of a deep enough quantum circuit do not move much from its initial values during training, allowing first-order expansion with respect to the parameters. This behavior is similar to the neural tangent kernel in the classical literatures, and such a deep variational quantum machine learning can be described by another emergent kernel, quantum tangent kernel. Numerical simulations show that the proposed quantum tangent kernel outperforms the conventional quantum kernel method for an ansatz-generated dataset. This work provides a new direction beyond the conventional quantum kernel method and explores potential power of quantum machine learning with deep parameterized quantum circuits.

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arXiv2022

Quantifying fermionic nonlinearity of quantum circuits

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 propose a measure, called fermionic nonlinearity, to quantify the classical simulatability of quantum circuits designed for simulating fermionic Hamiltonians. Specifically, we construct a Monte Carlo type classical algorithm based on the classical simulatability of fermionic linear optics, whose sampling overhead is characterized by the fermionic nonlinearity. As a demonstration of these techniques, we calculate the upper bound of the fermionic nonlinearity of a rotation gate generated by four fermionic modes under the dephasing noise. Moreover, we estimate the sampling costs of the unitary coupled cluster singles and doubles quantum circuits for hydrogen chains subject to the dephasing noise. We find that, depending on the error probability and atomic spacing, there are regions where the fermionic nonlinearity becomes very small or unity, and hence the circuits are classically simulatable. We believe that our method and results help to design quantum circuits for fermionic systems with potential quantum advantages.

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arXiv2022

Simulation and performance analysis of quantum error correction with a rotated surface code under a realistic noise model

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. In this work, we performed a full simulation of QEC for the rotated surface codes with a code distance 5, which employs 49 qubits and is within reach of the current state-of-the-art quantum computers. In particular, we evaluate the logical error probability in a realistic noise model that incorporates not only stochastic Pauli errors but also coherent errors due to a systematic control error or unintended interactions. While a straightforward simulation of 49 qubits is not tractable within a reasonable computational time, we reduced the number of qubits required to 26 qubits by delaying the syndrome measurement in simulation. This and a fast quantum computer simulator, Qulacs, implemented on GPU allows us to simulate full QEC with an arbitrary local noise within reasonable simulation time. Based on the numerical results, we also construct and verify an effective model to incorporate the effect of the coherent error into a stochastic noise model. This allows us to understand what the effect coherent error has on the logical error probability on a large scale without full simulation based on the detailed full simulation of a small scale. The present simulation framework and effective model, which can handle arbitrary local noise, will play a vital role in clarifying the physical parameters that future experimental QEC should target.

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