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Naoki Yamamoto

Publications and source records attributed to Naoki Yamamoto.

At least 37 records · Page 2Linked to original sources

Learning from imperfect quantum data via unsupervised domain adaptation with classical shadows

Learning from quantum data using classical machine learning models has emerged as a promising paradigm toward realizing quantum advantages. Despite extensive analyses on their performance, clean and fully labeled quantum data from the target domain are often unavailable in practical scenarios, forcing models to be trained on data collected under conditions that differ from those encountered at deployment. This mismatch highlights the need for new approaches beyond the common assumptions of prior work. In this work, we address this issue by employing an unsupervised domain adaptation framework for learning from imperfect quantum data. Specifically, by leveraging classical representations of quantum states obtained via classical shadows, we perform unsupervised domain adaptation entirely within a classical computational pipeline once measurements on the quantum states are executed. We numerically evaluate the framework on quantum phases of matter and entanglement classification tasks under realistic domain shifts. Across both tasks, our method outperforms source-only non-adaptive baselines and target-only unsupervised learning approaches, demonstrating the practical applicability of domain adaptation to realistic quantum data learning.

quant-ph↗

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↗

Vorticity-induced effects from Wess-Zumino-Witten terms

We study vorticity-induced effects arising from the Wess-Zumino-Witten terms for Nambu-Goldstone modes in chiral perturbation theory. We first provide an alternative derivation of the Wess-Zumino-Witten terms in the presence of external vector, axial-vector, and pseudoscalar fields using a derivative expansion of the fermion determinant. We then employ the previously found correspondence in which vorticity is treated as an axial-vector field coupled to Dirac fermions in flat spacetime. Using this, we derive vorticity-induced contributions for Nambu-Goldstone modes in the presence of electromagnetic fields at finite baryon and isospin chemical potentials, including a vorticity-induced current, a magnetic-field-induced angular momentum, and a vorticity-modified photon-pion coupling. We also briefly discuss the phenomenological implications of these vorticity-induced effects.

hep-ph↗

Self-similar inverse cascade from generalized symmetries

We investigate the role of generalized symmetries in driving non-equilibrium and non-linear phenomena, specifically focusing on turbulent systems. While conventional turbulence studies have revealed inverse cascades driven by conserved quantities integrated over the entire space, such as helicity in three spatial dimensions, the influence of higher-form symmetries, whose conserved charges are defined by integration over subspaces, remains largely unexplored. We demonstrate a novel mechanism where higher-form symmetries naturally induce a self-similar inverse cascade. Taking axion electrodynamics with non-linear topological interaction as a paradigmatic example, we show that the conserved charge associated with its 1-form symmetry drives the system toward large-scale coherent structures through a universal scaling behavior characterized by analytically determined scaling exponents. Our findings suggest that higher-form symmetries can provide a fundamental organizing principle for understanding non-equilibrium phenomena and the emergence of coherent structures in turbulent systems.

hep-th↗

Trade-offs between Quantum and Classical Resources in the Linear Combination of Unitaries

The randomized linear combination of unitaries (LCU) method with many applications to early fault-tolerant quantum computing algorithms has been proposed. This quantum algorithm computes the same expectation values as the original, fully coherent LCU algorithm using a shallower quantum circuit with a single ancilla qubit, at the cost of a quadratically larger sampling overhead. In this work, we propose a quantum algorithm intermediate between the original and randomized LCU that manages the trade-off between the sampling overhead and circuit complexity. Our algorithm divides the set of unitary operators into several groups and then randomly samples LCU circuits from these groups to evaluate the target expectation value. Notably, we reveal that across all grouping strategies, the mechanism of the sampling overhead reduction can be solely characterized by a metric we call the reduction factor. Moreover, we analytically prove an underlying monotonicity of the reduction factor in the group size: larger group sizes entail smaller sampling overhead. Finally, our framework enables a more flexible algorithmic design by systematically yielding intermediate implementations of LCU-based algorithms; we provide intermediate implementations of non-Hermitian dynamics simulation, ground-state property estimation, and quantum error detection. Besides, we demonstrate this principle by deriving intermediate trade-off scaling in sample complexity and ancillary space for quantum linear system solver.

quant-ph↗

Quantum phase classification via partial tomography-based quantum hypothesis testing

Quantum phase classification is a fundamental problem in quantum many-body physics, traditionally approached using order parameters or quantum machine learning techniques such as quantum convolutional neural networks (QCNNs). However, these methods often require extensive prior knowledge of the system or large numbers of quantum state copies for reliable classification. In this work, we propose a classification algorithm based on the quantum Neyman-Pearson test, which is theoretically optimal for distinguishing between two quantum states. While directly constructing the optimal test for many-body systems via full state tomography is intractable due to the exponential growth of the Hilbert space, we introduce a partitioning strategy that applies hypothesis tests to subsystems rather than the entire state, effectively reducing the required number of quantum state copies while maintaining classification accuracy. We validate our approach through numerical simulations, demonstrating its advantages over conventional methods, including the order parameter-based classifier, the QCNN, and the recently developed classical machine learning algorithm enhanced with quantum data. Our results show that the proposed method achieves lower classification error probabilities with fewer required quantum state copies compared to all of these baselines, while also reducing the training cost relative to the QCNN and the classical machine learning algorithm enhanced with quantum data, and further decreasing the classical computational time in comparison with the latter. We additionally demonstrate scalability of our method in numerical experiments up to systems with 81 qubits. These findings highlight the potential of quantum hypothesis testing as a powerful tool for quantum phase classification, particularly in experimental settings where quantum measurements are combined with classical post-processing.

quant-ph↗

Scaling Behaviors in Active Model B+ via the Functional Renormalization Group

We study the scaling behaviors of the active model B+ using the functional renormalization group (FRG) approach, based on the nonequilibrium effective action formulated via the Martin-Siggia-Rose path-integral formalism. We derive the $β$ functions for all couplings of the system in generic $d$ dimensions, revealing regulator independence in various contributions to the renormalization group (RG) flow at specific values for $d$. After identifying specific regions of the parameter space that define submodels closed under RG transformations, we determine all fixed points of potential physical relevance. We confirm the existence of a bicritical fixed point, which was conjectured within the perturbative momentum-shell RG method for being responsible for the transition from bulk phase separation to microphase separation in active systems. We argue that, within the FRG approach, global flows significantly differ from those obtained in its perturbative counterpart.

cond-mat.stat-mech↗

Introducing Linear Implication Types to $λ_{GT}$ for Computing With Incomplete Graphs

Designing programming languages that enable intuitive and safe manipulation of data structures is a critical research challenge. Conventional destructive memory operations using pointers are complex and prone to errors. Existing type systems, such as affine types and shape types, address this problem towards safe manipulation of heaps and pointers, but design of high-level declarative languages that allow us to manipulate complex pointer data structures at a higher level of abstraction is largely an open problem. The $λ_{GT}$ language, a purely functional programming language that treats hypergraphs (hereafter referred to as graphs) as primary data structures, addresses some of these challenges. By abstracting data with shared references and cycles as graphs, it enables declarative operations through pattern matching and leverages its type system to guarantee safety of these operations. Nevertheless, the previously proposed type system of $λ_{GT}$ leaves two significant open challenges. First, the type system does not support \emph{incomplete graphs}, that is, graphs in which some elements are missing from the graphs of user-defined types. Second, the type system relies on dynamic type checking during pattern matching. This study addresses these two challenges by incorporating linear implication into the $λ_{GT}$ type system, while introducing new constraints to ensure its soundness.

cs.PL↗

Quantum phase estimation based filtering: performance analysis and application to low-energy spectral calculation

Filtering is an important technique in quantum computing used for isolating or enhancing some specific states of quantum many-body systems. In this paper, we analyze the performance of filters based on the quantum phase estimation (QPE) algorithm, in which filtering removes states associated with bitstrings in the ancilla register above a given threshold. We show that when the conventional rectangular window function is used for the QPE input state, the resulting filter function exhibits an oscillating behavior known as the Gibbs phenomenon. We also show that in the case of the sine and Kaiser windows, this phenomenon is suppressed. Furthermore, we perform numerical simulations to compare the number of necessary queries to the Hamiltonian time evolution operation of for the QPE-based filtering algorithm and the quantum eigenvalue transformation of unitary matrices with real polynomials (QETU). We find that the number of queries required for Kaiser window-based filtering is comparable to that for QETU with optimized phase angles. As an application of the QPE-based filter, we also study a two-step algorithm for low-energy spectral simulations, composed of a coarse grid for filtering and a fine grid for obtaining final high-resolution spectra. As a benchmark of the proposed scheme for realistic continuous spectra, we present the density-of-states (DOS) calculation of antiferromagnetic type-II MnO in a one-particle approximation.

quant-ph↗

Quantum spectroscopy of topological dynamics via a supersymmetric Hamiltonian

Topological data analysis (TDA) characterizes complex dynamics through global invariants, but classical computation becomes prohibitive for high-dimensional data. We reinterpret time-domain dynamics as the eigenvalue spectrum of a supersymmetric (SUSY) Hamiltonian and thereby estimate topological descriptors through quantum spectroscopy. While zero modes correspond to Betti numbers, we show that low-lying excited states quantify the stability of topological features. Using a Takens embedding of the Lorenz system together with a resource-efficient quantum phase estimation implemented on IBM quantum hardware, we observe that the spectral gap of the SUSY Laplacian tracks the persistence of homological structures. Notably, the minimum of this spectral gap coincides with the onset of chaos, whereas its reopening reflects the geometric maturation of the attractor. Validated on small complexes yet offering an exponential advantage over classical diagonalization (from $O(N^3)$ to $\mathrm{poly}(\log N)$), this framework suggests that quantum hardware can function as a spectrometer for data topologies beyond classical reach.

quant-ph↗

Graph Rewriting Language as a Platform for Quantum Diagrammatic Calculi

Systematic discovery of optimization paths in quantum circuit simplification remains a challenge. Today, ZX-calculus, a computing model for quantum circuit transformation, is attracting attention for its highly abstract graph-based approach. Whereas existing tools such as PyZX and Quantomatic offer domain-specific support for quantum circuit optimization, visualization and theorem-proving, we present a complementary approach using LMNtal, a general-purpose hierarchical graph rewriting language, to establish a diagrammatic transformation and verification platform with model checking. Our methodology shows three advantages: (1) manipulation of ZX-diagrams through native graph transformation rules, enabling direct implementation of basic rules; (2) quantified pattern matching via QLMNtal extensions, greatly simplifying rule specification; and (3) interactive visualization and validation of optimization paths through state space exploration. Through case studies, we demonstrate how our framework helps understand optimization paths and design new algorithms and strategies. This suggests that the declarative language LMNtal and its toolchain could serve as a new platform to investigate quantum circuit transformation from a different perspective.

cs.PL↗

Hamiltonian simulation-based quantum-selected configuration interaction for large-scale electronic structure calculations with a quantum computer

Quantum-selected configuration interaction (QSCI) is an approach for quantum chemical calculations using current quantum computers. In conventional QSCI, Slater determinants used for the wave function expansion are sampled by iteratively performing approximate wave function preparation and subsequent measurement in the computational basis, and then the subspace Hamiltonian matrix is diagonalized on a classical computer. In this approach, preparation of a high-quality approximate wave function is necessary to accurately compute total energies. Here we propose a Hamiltonian simulation-based QSCI (HSB-QSCI) to avoid this difficulty, by sampling the Slater determinants from quantum states generated by the real-time evolution of approximate wave functions. We provide numerical simulations for the lowest spin-singlet and triplet states of oligoacenes (benzene, naphthalene, and anthracene), phenylene-1,4-dinitrene, and hexa-1,2,3,4,5-pentaene. We found that the HSB-QSCI is applicable not only to molecules where the Hartree--Fock provides a good approximation of the ground state, but also to strongly correlated systems where preparing a high-quality approximate wave function is hard. Hardware demonstrations of the HSB-QSCI are also reported for carbyne molecules expressed by up to 36 qubits, using an IBM Quantum processor. The HSB-QSCI captures more than 99.18\% of the correlation energies in the active space by considering about 1\% of all the Slater determinants in 36 qubit systems, illustrating the ability of the proposed method to efficiently consider important electronic configurations.

quant-ph↗

The generative quantum eigensolver (GQE) and its application for ground state search

We introduce the generative quantum eigensolver (GQE), a new quantum computational framework that operates outside the variational quantum algorithm paradigm by applying classical generative models to quantum simulation. The GQE algorithm optimizes a classical generative model to produce quantum circuits with desired properties. Here, we develop a transformer-based implementation, which we name the generative pre-trained transformer-based (GPT) quantum eigensolver (GPT-QE). We show a proof-of-concept of training and pretraining of GPT-QE applied to electronic structure Hamiltonians, and demonstrate its ability illustrated by surpassing coupled cluster singles and doubles (CCSD) for the strong bond dissociation of the nitrogen molecule and approaching chemical accuracy. We also demonstrate the method on real quantum hardware.

quant-ph↗

State-to-Hamiltonian conversion with a few copies

Density matrix exponentiation (DME) is a general procedure that converts an unknown quantum state into the Hamiltonian evolution. This enables state-dependent operations and can reveal nontrivial properties of the state, among other applications, without full tomography. However, it has been proven that for any physical process, the DME requires $Θ(1/\varepsilon)$ state copies in error $\varepsilon$. In this work, we go beyond the lower bound and propose a procedure called the virtual DME that achieves $\mathcal{O}(\log(1/\varepsilon))$ or $\mathcal{O}(1)$ state copies, by using non-physical processes. Using the virtual DME in place of its conventional counterpart realizes a general-purpose quantum algorithm for property estimation, that achieves exponential circuit-depth reductions over existing protocols across tasks including quantum principal component analysis, quantum emulator, calculation of nonlinear functions such as entropy, and linear system solver with quantum precomputation. In such quantum algorithms, the non-physical process for virtual DME can be effectively simulated via simple classical post-processing while retaining a near-unity measurement overhead. We numerically verify this small constant overhead together with the exponential reduction of copy count in the quantum principal component analysis task. The number of state copies used in our algorithm essentially saturates the theoretical lower bound we proved.

quant-ph↗

Tensor-based quantum phase difference estimation for large-scale demonstration

We develop an energy calculation algorithm leveraging quantum phase difference estimation (QPDE) scheme and a tensor-network-based unitary compression method in the preparation of superposition states and time-evolution gates. Alongside its efficient implementation, this algorithm reduces depolarization noise affections exponentially. We demonstrated energy gap calculations for one-dimensional Hubbard models on IBM superconducting devices using circuits up to 32-system (plus one-ancilla) qubits, a five-fold increase over previous QPE demonstrations, at the 7242 controlled-Z gate level of standard transpilation, utilizing a Q-CTRL error suppression module. Additionally, we propose a technique towards molecular executions using spatial orbital localization and index sorting, verified linear polyene simulations up to 21 qubits. Since QPDE can handle the same objectives as QPE, our algorithm represents a leap forward in quantum computing on real devices.

quant-ph↗

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↗

Multilevel Circuit Optimization in Quantum Compilers: A Case Study

In this paper, we explore multilevel circuit optimization (MLCO), where we deploy multiple gate sets and progressively lower the source circuit through the gate sets to the target circuit. At each level, we first perform an appropriate set of circuit simplifications and then lower the simplified circuit into the next level, decomposing the gates not supported there. We demonstrate its effectiveness, using as a case study the source circuit for Hamiltonian simulation to solve a partial differential equation, which is densely populated with multi-controlled gates and is transformed by the state-of-the-art circuit compiler to the target circuit with the quadratic number of CX gates in the number of qubits. MLCO makes visible higher-level circuit structures, providing us with insights about how to simplify the circuits and how to decompose the gates. By putting the right circuit structure in place and selecting the right decomposition algorithm, we could cause massive cancellation of entangling gates, thereby having achieved the quadratic reduction in the number of CX gates.

quant-ph↗

Chiral kinetic theory with self-energy corrections and neutrino spin Hall effect

We systematically derive the chiral kinetic theory for chiral fermions with collisions, including the self-energy corrections, from quantum field theories. We find that the Wigner functions and chiral kinetic equations receive both the classical and quantum corrections from the self-energies and their spacetime gradients. We also apply this formalism to study nonequilibrium neutrino transport due to the interaction with thermalized electrons and nucleons, as realized in core-collapse supernovae. We derive neutrino currents along magnetic fields and neutrino spin Hall effect induced by the density gradient at first order in the Fermi constant $G_{\rm F}$ for anisotropic neutrino distributions.

hep-ph↗