arXiv subjects

Gwonhak Lee

Publications and source records attributed to Gwonhak Lee.

7 recordsLinked to original sources

arXiv2026

Finite Imaginary-Time Evolution for Polynomial Unconstrained Binary Optimization

Imaginary-time evolution is a standard primitive for ground-state preparation but is nonunitary, precluding direct quantum implementation. We develop Finite Imaginary-Time Evolution (FinITE), a finite-beta construction for diagonal Pauli-Z cost Hamiltonians arising from polynomial unconstrained binary optimization (PUBO) instances, including QUBO and HUBO cases. FinITE uses the linear-combination-of-unitaries (LCU) framework to implement a scaled imaginary-time propagator. The commuting Pauli-Z structure makes termwise block-encodings compose without product-formula error, and higher-order Pauli-Z terms are handled directly without quadratization. The structure yields an exact finite-beta identity between the LCU success probability and the ground-subspace fidelity. Combined with a gap-based fidelity lower bound, the identity yields a closed-form sufficient imaginary-time threshold beta-star for a chosen target fidelity. The threshold depends on estimates of the spectral gap and the initial ground-subspace overlap. Because the LCU success event is flagged by a known ancilla outcome, we integrate fixed-point amplitude amplification with an explicit query-complexity bound. Statevector simulations verify the identity on a five-vertex MaxCut (QUBO) and an eight-qubit cubic HUBO instance, and shot-based simulations on the MaxCut instance illustrate the predicted finite-beta threshold and amplification procedure.

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arXiv2026

Quantum Circuit Representation of Combinatorial Matrix Functions

Permanents, hafnians, and loop-hafnians are combinatorial matrix functions closely related to perfect matchings in graphs. These matrix functions arise in the quantum amplitudes of boson configurations in bosonic networks, and the classical hardness of computing them has been used to establish hardness arguments for boson sampling and Gaussian boson sampling. Remarkably, these matrix functions also appear in quantum spin systems. Previous work has shown that transition amplitudes in bipartite Ising and Heisenberg models are proportional to the permanent of the corresponding interaction matrix. Here, we extend the Ising interaction structure beyond the bipartite case to generate hafnians and loop-hafnians. This extension relies on the fact that the Ising model reflects the underlying graph structure and that each matrix function arises naturally from quantum superposition. In particular, since the graph corresponding to the loop-hafnian involves self-loops, we design the interaction structure to incorporate them while preserving the two-body XX form. Through this construction, we unify the three matrix functions within a single Ising-model framework, based on the nested inclusion relations among the corresponding classes of graphs. We further show that the quantum spin dynamics of our model, including the preparation of the nontrivial output state for the loop-hafnian case, can be simulated on a quantum circuit using only $\mathcal{O}(N^2)$ gates.

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arXiv2025

Jacobi-Anger Density Estimation for Energy Distribution of Quantum States

The energy distribution of a quantum state is essential for accurately estimating a molecule's ground state energy in quantum computing. Directly obtaining this distribution requires full Hamiltonian diagonalization, which is computationally prohibitive for large-scale systems. A more practical strategy is to approximate the distribution from a finite set of Hamiltonian moments. However, reconstructing an accurate distribution from only a limited number of moments remains a significant challenge. In this work, we introduce Jacobi-Anger Density Estimation (JADE), a non-parametric, quantum-inspired method designed to overcome this difficulty. JADE reconstructs the characteristic function from a finite set of moments using the Jacobi-Anger expansion and then estimates the underlying distribution via an inverse Fourier transform. We demonstrate that JADE can accurately recover the energy distribution of a quantum state for a molecular system. Beyond quantum chemistry, we also show that JADE is broadly applicable to the estimation of complicated probability density functions in various other scientific and engineering fields. Our results highlight JADE as a powerful and versatile tool for practical quantum systems, with the potential to significantly enhance ground state energy estimation and related applications.

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arXiv2025

Filtered Quantum Phase Estimation

Accurate state preparation is a critical bottleneck in many quantum algorithms, particularly those for ground-state energy estimation. Even in fault-tolerant quantum computing, preparing a quantum state with sufficient overlap with the desired eigenstate remains a major challenge. To address this, we develop a unified cost-aware framework for filtered-state preparation that enhances the overlap of a given input state through spectral filtering. The framework covers polynomial and trigonometric realizations of filters and makes explicit the trade-off among overlap amplification, preparation success probability, and filter-implementation cost. As representative examples, we analyze Gaussian filters and introduce a modified Krylov-subspace-based filter that improves the success-probability/overlap trade-off relevant to filtered state preparation. Within this framework, we study a filtered variant of quantum phase estimation (FQPE) that mitigates the unfavorable dependence on the initial overlap present in standard QPE. Numerical experiments on Fermi-Hubbard models show that FQPE reduces the total runtime by more than two orders of magnitude in the high-precision regime, with overlap amplification exceeding a factor of one hundred.

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arXiv2024

Efficient Strategies for Reducing Sampling Error in Quantum Krylov Subspace Diagonalization

Within the realm of early fault-tolerant quantum computing (EFTQC), quantum Krylov subspace diagonalization (QKSD) has emerged as a promising quantum algorithm for the approximate Hamiltonian diagonalization via projection onto the quantum Krylov subspace. However, the algorithm often requires solving an ill-conditioned generalized eigenvalue problem (GEVP) involving erroneous matrix pairs, which can significantly distort the solution. Since EFTQC assumes limited-scale error correction, finite sampling error becomes a dominant source of error in these matrices. This work focuses on quantifying sampling errors during the measurement of matrix element in the projected Hamiltonian examining two measurement approaches based on the Hamiltonian decompositions: the linear combination of unitaries and diagonalizable fragments. To reduce sampling error within a fixed budget of quantum circuit repetitions, we propose two measurement strategies: the shifting technique and coefficient splitting. The shifting technique eliminates redundant Hamiltonian components that annihilate either the bra or ket states, while coefficient splitting optimizes the measurement of common terms across different circuits. Numerical experiments with electronic structures of small molecules demonstrate the effectiveness of these strategies, reducing sampling costs by a factor of 20-500.

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arXiv2023

Variational quantum eigensolver for closed-shell molecules with non-bosonic corrections

The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical challenge that motivates research on compact system representations to reduce algorithm complexity. Toward this end, quantum simulations based on the variational quantum eigensolver (VQE) is considered to be one of the most promising algorithms for quantum chemistry in the NISQ era. We investigate reduced mapping of one spatial orbital to a single qubit to analyze the ground state energy in a way that the Pauli operators of qubits are mapped to the creation/annihilation of singlet pairs of electrons. To include the effect of non-bosonic (or non-paired) excitations, we introduce a simple correction scheme in the electron correlation model approximated by the geometrical mean of the bosonic (or paired) terms. Employing it in a VQE algorithm, we assess ground state energies of H2O, N2, and Li2O in good agreements with full configuration interaction (FCI) models respectively, using only 6, 8, and 12 qubits with quantum gate depths proportional to the squares of the qubit counts. With the adopted seniority-zero approximation that uses only one half of the qubit counts of a conventional VQE algorithm, we find our non-bosonic correction method reaches reliable quantum chemistry simulations at least for the tested systems.

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arXiv2023

Sampling Error Analysis in Quantum Krylov Subspace Diagonalization

Quantum Krylov subspace diagonalization (QKSD) is an emerging method used in place of quantum phase estimation in the early fault-tolerant era, where limited quantum circuit depth is available. In contrast to the classical Krylov subspace diagonalization (KSD) or the Lanczos method, QKSD exploits the quantum computer to efficiently estimate the eigenvalues of large-size Hamiltonians through a faster Krylov projection. However, unlike classical KSD, which is solely concerned with machine precision, QKSD is inherently accompanied by errors originating from a finite number of samples. Moreover, due to difficulty establishing an artificial orthogonal basis, ill-conditioning problems are often encountered, rendering the solution vulnerable to noise. In this work, we present a nonasymptotic theoretical framework to assess the relationship between sampling noise and its effects on eigenvalues. We also propose an optimal solution to cope with large condition numbers by eliminating the ill-conditioned bases. Numerical simulations of the one-dimensional Hubbard model demonstrate that the error bound of finite samplings accurately predicts the experimental errors in well-conditioned regions.

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