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Yuya Seki

Publications and source records attributed to Yuya Seki.

At least 19 recordsLinked to original sources

Stage-dependent integer-binary encoding in factorization-machine black-box optimization

Black-box optimization (BBO) deals with problems where objective functions lack explicit analytical forms and are expensive to evaluate. Factorization machine with quadratic-optimization annealing (FMQA) constructs a surrogate model using a factorization machine (FM) and optimizes it with an Ising machine. Conventional FMQA applies a single integer-binary encoding throughout the optimization process, although the encoding best suited to surrogate learning may differ from the one best suited to Ising-machine solution search. We propose a stage-dependent FMQA framework and derive conversion formulas between one-hot and domain-wall QUBO matrices that preserve the surrogate objective over feasible integer states up to an additive constant. We evaluate the OhDw variant, which employs one-hot encoding for learning and domain-wall encoding for search, on the Rastrigin function with input dimensions N = 2 and 5 and discretization levels q = 61 and 301. Across all conditions, the dominant factor governing optimization performance is the encoding used in the learning stage, with one-hot encoding consistently yielding lower residual errors than domain-wall or binary encoding. The additional benefit of switching to domain-wall encoding for solution search is condition-dependent. For N = 5 and q = 301, OhDw achieves a lower residual error and solutions closer to the global optimum than one-hot-only FMQA, whereas for N = 5 and q = 61 the latter achieves a lower residual error. These results indicate that one-hot encoding in the learning stage is the primary performance driver and that stage-dependent encoding can provide further improvement under finer discretization.

cs.LG

Improving FMQA via Initial Training Data Design Considering Marginal Bit Coverage in One-Hot Encoding

Factorization machine with quadratic-optimization annealing (FMQA) is a black-box optimization method that combines a factorization machine (FM) surrogate with QUBO-based search by an Ising machine. When FMQA is applied to integer or discretized continuous variables via one-hot encoding, uniform random initial sampling can leave many binary variables never active in the initial training data, and the corresponding FM parameters receive no direct gradient updates from the observed responses. We address this by designing the initial training data to achieve complete marginal bit coverage, namely, ensuring that every binary variable obtained by one-hot encoding takes the value one at least once. We use two space-filling sampling methods, Latin hypercube sampling (LHS) and the Sobol' sequence, yielding LHS-FMQA and Sobol'-FMQA. On the human-powered aircraft wing-shape optimization benchmark with 17 and 32 design variables, both proposed methods achieved numerically higher mean final cruising speeds than the baseline FMQA, with the advantage more pronounced on the 32-variable problem.

cs.LG

SWIFT-FMQA: Enhancing Factorization Machine with Quadratic-Optimization Annealing via Sliding Window

Black-box (BB) optimization problems aim to identify an input that maximizes or minimizes the output of a function (the BB function) whose input-output relationship is unknown. Factorization machine with quadratic-optimization annealing (FMQA) is a promising approach to this task, employing a factorization machine (FM) as a surrogate model to iteratively guide the solution search via an Ising machine. Although FMQA has demonstrated strong optimization performance across various applications, its performance often stagnates as the number of optimization iterations increases. One contributing factor to this stagnation is the growing number of data points in the dataset used to train FM. As more data are accumulated, the contribution of newly added data points tends to become diluted within the entire dataset. Based on this observation, we hypothesize that such dilution reduces the impact of new data on improving the prediction accuracy of FM. To address this issue, we propose a novel method named sliding window for iterative factorization training combined with FMQA (SWIFT-FMQA). This method improves upon FMQA by utilizing a sliding-window strategy to sequentially construct a dataset that retains at most a specified number of the most recently added data points. SWIFT-FMQA is designed to enhance the influence of newly added data points on the surrogate model. Numerical experiments demonstrate that SWIFT-FMQA obtains lower-cost solutions with fewer BB function evaluations compared to FMQA.

cs.LG

Black-box optimization using factorization and Ising machines

Black-box optimization (BBO) is used in materials design, drug discovery, and hyperparameter tuning in machine learning. The world is experiencing several of these problems. In this review, a factorization machine with quantum annealing or with quadratic-optimization annealing (FMQA) algorithm to realize fast computations of BBO using Ising machines (IMs) is discussed. The FMQA algorithm uses a factorization machine (FM) as a surrogate model for BBO. The FM model can be directly transformed into a quadratic unconstrained binary optimization model that can be solved using IMs. This makes it possible to optimize the acquisition function in BBO, which is a difficult task using conventional methods without IMs. Consequently, it has the advantage of handling large BBO problems. To be able to perform BBO with the FMQA algorithm immediately, we introduce the FMQA algorithm along with Python packages to run it. In addition, we review examples of applications of the FMQA algorithm in various fields, including physics, chemistry, materials science, and social sciences. These successful examples include binary and integer optimization problems, as well as more general optimization problems involving graphs, networks, and strings, using a binary variational autoencoder. We believe that BBO using the FMQA algorithm will become a key technology in IMs including quantum annealers.

cond-mat.stat-mech

Can Constrained Quantum Annealing Be Effective in Noisy Quantum Annealers?

We investigate the performance of penalty-based quantum annealing (PQA) and constrained quantum annealing (CQA) in solving the graph partitioning problem under various noise models, including depolarizing, bit-flip, and phase-flip noise. We found that even in the absence of noise, the relative superiority of PQA or CQA is highly problem-dependent. PQA generally demonstrates relatively stable success probabilities, while CQA's performance varies significantly across problem instances. Notably, CQA experiences leakage from the constraint-satisfying subspace under most noise models, with the exception of phase-flip noise, where no leakage occurs exactly. The dependence of success probability on noise strength reveals that PQA consistently outperforms CQA in the weak noise regime, whereas CQA achieves higher success probabilities under strong phase-flip noise. However, even in this case, the overall success probability remains low, suggesting that CQA is not yet practical for noisy quantum annealers without the development of error-corrected quantum annealing and autonomous error correction techniques to address leakage from the constraint-satisfying subspace. To confine the system within the constraint subspace in CQA, error correction methods and cat code encoding will likely be required, both of which can suppress bit-flip errors.

quant-ph

Initialization Method for Factorization Machine Based on Low-Rank Approximation for Constructing a Corrected Approximate Ising Model

This paper presents an initialization method that can approximate a given approximate Ising model with a high degree of accuracy using a factorization machine (FM), a machine learning model. The construction of an Ising models using an FM is applied to black-box combinatorial optimization problems using factorization machine with quantum annealing (FMQA). It is anticipated that the optimization performance of FMQA will be enhanced through an implementation of the warm-start method. Nevertheless, the optimal initialization method for leveraging the warm-start approach in FMQA remains undetermined. Consequently, the present study compares initialization methods based on random initialization and low-rank approximation, and then identifies a suitable one for use with warm-start in FMQA through numerical experiments. Furthermore, the properties of the initialization method by the low-rank approximation for the FM are analyzed using random matrix theory, demonstrating that the approximation accuracy of the proposed method is not significantly influenced by the specific Ising model under consideration. The findings of this study will facilitate advancements of research in the field of black-box combinatorial optimization through the use of Ising machines.

cs.LG

Machine learning supported annealing for prediction of grand canonical crystal structures

This study investigates the application of Factorization Machines with Quantum Annealing (FMQA) to address the crystal structure problem (CSP) in materials science. FMQA is a black-box optimization algorithm that combines machine learning with annealing machines to find samples to a black-box function that minimize a given loss. The CSP involves determining the optimal arrangement of atoms in a material based on its chemical composition, a critical challenge in materials science. We explore FMQA's ability to efficiently sample optimal crystal configurations by setting the loss function to the energy of the crystal configuration as given by a predefined interatomic potential. Further we investigate how well the energies of the various metastable configurations, or local minima of the potential, are learned by the algorithm. Our investigation reveals FMQA's potential in quick ground state sampling and in recovering relational order between local minima.

cond-mat.mtrl-sci

Towards optimization of photonic-crystal surface-emitting lasers via quantum annealing

Photonic-crystal surface-emitting lasers (PCSELs), which utilize a two-dimensional (2D) optical resonance inside a photonic crystal for lasing, feature various outstanding functionalities such as single-mode high-power operation and arbitrary control of beam polarizations. Although most of the previous designs of PCSELs employ spatially uniform photonic crystals, it is expected that lasing performance can be further improved if it becomes possible to optimize the spatial distribution of photonic crystals. In this paper, we investigate the structural optimization of PCSELs via quantum annealing towards high-power, narrow-beam-divergence operation with linear polarization. The optimization of PCSELs is performed by the iteration of the following three steps: (1) time-dependent 3D coupled-wave analysis of lasing performance, (2) formulation of the lasing performance via a factorization machine, and (3) selection of optimal solution(s) via quantum annealing. By using this approach, we successfully discover an advanced PCSEL with a non-uniform spatial distribution of the band-edge frequency and injection current, which simultaneously enables higher output power, a narrower divergence angle, and a higher linear polarization ratio than conventional uniform PCSELs. Our results potentially indicate the universal applicability of quantum annealing, which has been mainly applied to specific types of discrete optimization problems so far, for various physics and engineering problems in the field of smart manufacturing.

physics.app-ph

Quantum annealing with symmetric subspaces

Quantum annealing (QA) is a promising approach for not only solving combinatorial optimization problems but also simulating quantum many-body systems such as those in condensed matter physics. However, non-adiabatic transitions constitute a key challenge in QA. The choice of the drive Hamiltonian is known to affect the performance of QA because of the possible suppression of non-adiabatic transitions. Here, we propose the use of a drive Hamiltonian that preserves the symmetry of the problem Hamiltonian for more efficient QA. Owing to our choice of the drive Hamiltonian, the solution is searched in an appropriate symmetric subspace during QA. As non-adiabatic transitions occur only inside the specific subspace, our approach can potentially suppress unwanted non-adiabatic transitions. To evaluate the performance of our scheme, we employ the XY model as the drive Hamiltonian in order to find the ground state of problem Hamiltonians that commute with the total magnetization along the $z$ axis. We find that our scheme outperforms the conventional scheme in terms of the fidelity between the target ground state and the states after QA.

quant-ph

Black-box optimization for integer-variable problems using Ising machines and factorization machines

Black-box optimization has potential in numerous applications such as hyperparameter optimization in machine learning and optimization in design of experiments. Ising machines are useful for binary optimization problems because variables can be represented by a single binary variable of Ising machines. However, conventional approaches using an Ising machine cannot handle black-box optimization problems with non-binary values. To overcome this limitation, we propose an approach for integer-variable black-box optimization problems by using Ising/annealing machines and factorization machines in cooperation with three different integer-encoding methods. The performance of our approach is numerically evaluated with different encoding methods using a simple problem of calculating the energy of the hydrogen molecule in the most stable state. The proposed approach can calculate the energy using any of the integer-encoding methods. However, one-hot encoding is useful for problems with a small size.

cs.LG

Preparing ground states of the XXZ model using the quantum annealing with inductively coupled superconducting flux qubits

Preparing ground states of Hamiltonians is important in the condensed matter physics and the quantum chemistry. The interaction Hamiltonians typically contain not only diagonal but also off-diagonal elements. Although quantum annealing provides a way to prepare a ground state of a Hamiltonian, we can only use the Hamiltonian with Ising interaction by using currently available commercial quantum annealing devices. In this work, we propose a quantum annealing for the XXZ model, which contains both Ising interaction and energy-exchange interaction, by using inductively coupled superconducting flux qubits. The key idea is to use a recently proposed spin-lock quantum annealing where the qubits are driven by microwave fields. As long as the rotating wave approximation is valid, the inductive coupling between the superconducting flux qubits produces the desired Hamiltonian in the rotating frame, and we can use such an interaction for the quantum annealing while the microwave fields driving play a role of the transverse fields. To quantify the performance of our scheme, we implement numerical simulations, and show that we can prepare ground states of the two-dimensional Heisenberg model with a high fidelity.

quant-ph

Quantum annealing with twisted fields

Quantum annealing is a promising method for solving combinational optimization problems and performing quantum chemical calculations. The main sources of errors in quantum annealing are the effects of decoherence and non-adiabatic transition. We propose a method for suppressing both these effects using inhomogeneous twist operators corresponding to the twist angles of transverse fields applied to qubits. Furthermore, we adopt variational methods to determine the optimal inhomogeneous twist operator for minimizing the energy of the state after quantum annealing. Our approach is useful for increasing the energy gap and/or making the quantum states robust against decoherence during quantum annealing. In summary, our results can pave the way to a new approach for realizing practical quantum annealing.

quant-ph

Boltzmann machine learning with a variational quantum algorithm

Boltzmann machine is a powerful tool for modeling probability distributions that govern the training data. A thermal equilibrium state is typically used for Boltzmann machine learning to obtain a suitable probability distribution. The Boltzmann machine learning consists of calculating the gradient of the loss function given in terms of the thermal average, which is the most time consuming procedure. Here, we propose a method to implement the Boltzmann machine learning by using Noisy Intermediate-Scale Quantum (NISQ) devices. We prepare an initial pure state that contains all possible computational basis states with the same amplitude, and apply a variational imaginary time simulation. Readout of the state after the evolution in the computational basis approximates the probability distribution of the thermal equilibrium state that is used for the Boltzmann machine learning. We actually perform the numerical simulations of our scheme and confirm that the Boltzmann machine learning works well by our scheme.

quant-ph

Improving the accuracy of the energy estimation by combining quantum annealing with classical computation

Quantum chemistry calculations are important applications of quantum annealing. For practical applications in quantum chemistry, it is essential to estimate a ground state energy of the Hamiltonian with chemical accuracy. However, there are no known methods to guarantee the accuracy of the estimation of the energy calculated by quantum annealing. Here, we propose a way to improve the accuracy of the estimate of the ground state energy by combining quantum annealing with classical computation. In our scheme, before running the QA, we need a pre-estimation of the energies of the ground state and first excited state with some error bars (corresponding to possible estimation error) by performing classical computation with some approximations. We show that, if an expectation value and variance of the energy of the state after the QA are smaller than certain threshold values (that we can calculate from the pre-estimation), the QA provides us with a better estimate of the ground state energy than that of the pre-estimation. Since the expectation value and variance of the energy can be experimentally measurable by the QA, our results pave the way for accurate estimation of the ground state energy with the QA.

quant-ph

Quantum remote sensing under the effect of dephasing

The quantum remote sensing (QRS) is a scheme to add security about the measurement results of a qubit-based sensor. A client delegates a measurement task to a remote server that has a quantum sensor, and eavesdropper (Eve) steals every classical information stored in the server side. By using quantum properties, the QRS provides an asymmetricity about the information gain where the client gets more information about the sensing results than Eve. However, quantum states are fragile against decoherence, and so it is not clear whether such a QRS is practically useful under the effect of realistic noise. Here, we investigate the performance of the QRS with dephasing during the interaction with the target fields. In the QRS, the client and server need to share a Bell pair, and an imperfection of the Bell pair leads to a state preparation error in a systematic way on the server side for the sensing. We consider the effect of both dephasing and state preparation error. The uncertainty of the client side decreases with the square root of the repetition number $M$ for small $M$, which is the same scaling as the standard quantum metrology. On the other hand, for large $M$, the state preparation error becomes as relevant as the dephasing, and the uncertainty decreases logarithmically with $M$. We compare the information gain between the client and Eve. This leads us to obtain the conditions for the asymmetric gain to be maintained even under the effect of dephasing.

quant-ph

Direct estimation of the energy gap between the ground state and excited state with quantum annealing

Quantum chemistry is one of the important applications of quantum information technology. Especially, an estimation of the energy gap between a ground state and excited state of a target Hamiltonian corresponding to a molecule is essential. In the previous approach, an energy of the ground state and that of the excited state are estimated separately, and the energy gap can be calculated from the subtraction between them. Here, we propose a direct estimation of the energy gap between the ground state and excited state of the target Hamiltonian with quantum annealing. The key idea is to combine a Ramsey type measurement with the quantum annealing. This provides an oscillating signal with a frequency of the energy gap, and a Fourier transform of the signal let us know the energy gap. Based on typical parameters of superconducting qubits, we numerically investigate the performance of our scheme when we estimate an energy gap between the ground state and first excited state of the Hamiltonian. We show robustness against non-adiabatic transitions between the ground state and first-excited state. Our results pave a new way to estimate the energy gap of the Hamiltonian for quantum chemistry.

quant-ph

Excited state search using quantum annealing

Quantum annealing (QA) is one of the ways to search the ground state of the problem Hamiltonian. Here, we propose the QA scheme to search arbitrary excited states of the problem Hamiltonian. In our scheme, an $n$-th excited state of the trivial Hamiltonian is initially prepared and is adiabatically changed into an $n$-th excited state of the target Hamiltonian. Although our scheme is general such that we can search any excited states, we especially discuss the first excited state search in this paper. As a comparison, we consider a non-adiabatic scheme to find the first excited state with non-adiabatic transitions from the ground state. By solving the Lindblad master equation, we evaluate the performance of each scheme under the influence of decoherence. Our conclusion is that the adiabatic scheme show better performance than the non-adiabatic scheme as long as the coherence time of qubits is sufficiently long. These results are important for applications in the area of quantum chemistry, quantum simulation, and post-quantum cryptography.

quant-ph

Quantum annealing with capacitive-shunted flux qubits

Quantum annealing (QA) provides us with a way to solve combinatorial optimization problems. In the previous demonstration of the QA, a superconducting flux qubit (FQ) was used. However, the flux qubits in these demonstrations have a short coherence time such as tens of nano seconds. For the purpose to utilize quantum properties, it is necessary to use another qubit with a better coherence time. Here, we propose to use a capacitive-shunted flux qubit (CSFQ) for the implementation of the QA. The CSFQ has a few order of magnitude better coherence time than the FQ used in the QA. We theoretically show that, although it is difficult to perform the conventional QA with the CSFQ due to the form and strength of the interaction between the CSFQs, a spin-lock based QA can be implemented with the CSFQ even with the current technology. Our results pave the way for the realization of the practical QA that exploits quantum advantage with long-lived qubits.

quant-ph