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Min-Hsiu Hsieh

Publications and source records attributed to Min-Hsiu Hsieh.

At least 19 recordsLinked to original sources
arXiv2026

Quantum Algorithm for Low-Energy Effective Hamiltonians and Subspace Eigenvalue Problem

Subspace eigenvalue problems arise ubiquitously in quantum chemistry and condensed-matter physics, where the relevant object is often a low-energy manifold rather than a single ground-state wavefunction. In this work, we propose a fault-tolerant quantum algorithm for this subspace-level task based on the Feshbach effective-Hamiltonian formalism. Given block-encoding access to the full Hamiltonian and a chosen $d$-dimensional reference subspace, the algorithm estimates eigenvalues of states with nonzero overlap with the reference subspace through a local secant fixed-point search. It then implements the associated wave operator and prepares an orthonormal basis whose span approximates the target invariant subspace. The construction combines projected block encodings with quantum singular value transformation (QSVT), which approximates the complementary-space resolvent and thereby provides both the self-energy used for eigenvalue estimation and the wave operator used for eigenstate reconstruction. For target accuracy $\varepsilon$, a single evaluation of the effective Hamiltonian has query complexity $\widetilde{O}(d^3/(g^2\varepsilon))$, up to block-encoding normalization factors, where $g$ is the distance between the target eigenvalue and the nearest pole of the effective Hamiltonian. Under the stated local regularity conditions, the secant search requires only $O(\log\log(1/\varepsilon))$ effective-Hamiltonian evaluations to reach the working precision. Classical numerical emulations for an open $4\times2$ Fermi--Hubbard cluster, all-electron LiH bond stretching, and $[\mathrm{Ru(bpy)}_{3}]^{2+}$ demonstrate the resolution and reconstruction of low-energy states and manifolds across spin-sector crossings, near-degeneracies, and dense excited-state spectra.

quant-ph↗
arXiv2026

Two-copy distillability of one-copy-undistillable negative-partial-transpose states in every dimension

Whether negative-partial-transpose (NPT) states that are undistillable from one copy become distillable from finitely many copies remains a basic open problem in entanglement theory. We study the canonical two-parameter family of DiVincenzo \textit{et al.}, introduced as a symmetry-reduced testbed for this question. We prove that a distinguished one-copy-undistillable state in this family is already two-copy distillable in every local dimension $d\geq 3$. A uniform equal-norm tight-frame construction gives explicit Schmidt-rank-two certificates in every dimension, thereby disproving the conjecture that the entire one-copy-undistillable region of the canonical family remains undistillable for arbitrarily many copies. The same witnesses certify an open two-copy-distillable neighborhood around the counterexample, while separately constructed three-copy witnesses enlarge the inner bounds for the distillable region in the surrounding parameter space. In contrast, recent results for Werner states, together with the propagation argument of DiVincenzo \textit{et al.}, establish a neighboring region of one-copy-undistillable states that remains two-copy undistillable. Thus a single symmetry-reduced family contains rigorously certified states with opposite two-copy behavior, separated by a substantial region whose finite-copy distillability remains unresolved.

quant-ph↗
arXiv2026

OmniQEC: discovering practical quantum error-correcting codes by an AI scientist

Quantum error correction (QEC) is indispensable for scalable fault-tolerant quantum computing. However, discovering QEC codes that remain effective is challenging, as logical performance depends on the interplay between code structure, hardware, syndrome extraction, and decoding, which often impose competing requirements. Here we introduce OmniQEC, an efficient AI scientist for discovering QEC codes suited to deployment on modern quantum processors. OmniQEC formulates QEC design as an iterative discovery process in which an orchestrator, implemented by advanced large language models (LLMs), coordinates code generation, code-level screening, syndrome-extraction synthesis, and decoder-based circuit evaluation. At its core, OmniQEC combines a self-evolving reasoning mechanism with a slow--fast synergistic workflow: a fast loop explores candidates using inexpensive code-level proxies, whereas a slow loop performs physically grounded circuit-level evaluation and feeds the resulting evidence back into the search. We evaluate OmniQEC across four qLDPC construction families, three LLM backends, and $14$ total-physical-qubit budgets per backend. The discovered codes show steadily improving logical-error suppression with increasing physical-qubit budgets and outperform the BB codes with $[\![72,12,6]\!]$ and $[\![144,12,12]\!]$ under complete-implementation budgets of 98 and 240 physical qubits, respectively. The discovered codes are hardware-friendly and may be of independent interest for practical QEC implementation. These findings pave the way towards LLM-assisted QEC discovery grounded in physically informed code--circuit--decoder co-design.

quant-ph↗
arXiv2026

Benchmarking Quantum Simulation of Chemical Hamiltonians using the Sorted-List Encoding

Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. Optimal simulation relies on a complex trade-offs across many parameters including Hamiltonian simulation techniques, basis sets, and the fermion-to-qubit encodings. Here, we characterize the trade-offs and quantify the quantum resource costs of the sorted-list encoding as a particle-conserving, low-qubit alternative to the Jordan-Wigner encoding. We identify specific regimes, across different simulation techniques and basis sets, where the sorted-list encoding would be favorable compared to existing methods. Our findings are further supported through numerical benchmarks of real-world chemical systems. We found the sorted-list encoding to be a viable alternative to the Jordan-Wigner encoding for the compact molecular orbital basis when the electron-filling ratio is low, which typically occurs when high-precision results are required. In the plane-wave basis, we found similar asymptotic gate and qubit scaling between the sorted-list and the first-quantized encoding, although the first-quantized encoding still retains lower constant factors.

quant-ph↗
arXiv2026

Stochastic Pauli-path simulator for large-scale quantum optimization

Pauli-based simulators offer a promising route to large-scale classical simulation of quantum circuits in the low-magic regime. Yet their applicability remains largely limited to forward simulation, making them inadequate for optimization-driven quantum tasks such as variational state preparation and parameter initialization. Existing approaches either lack native support for gradient-based optimization or suffer from severe gradient bias. Here we propose the stochastic Pauli-path simulator (SPPS), a computational framework for large-scale quantum optimization that enables unbiased stochastic gradient estimation via Pauli-path sampling across optimization iterations. Our theoretical analysis shows that the proposed simulator yields unbiased gradient estimates and admits provable convergence guarantees. We systematically evaluate our proposal, including quantum eigensolver benchmarks with up to 100 qubits and quantum neural network benchmarks with up to 40 qubits. Across these tasks, SPPS faithfully tracks optimization dynamics, converges within minutes, and broadens the role of Pauli-based simulation from forward estimation to large-scale quantum optimization.

quant-ph↗
arXiv2026

Linear-Time Encodable and Decodable Quantum Error-Correcting Codes

Recent years have seen rapid development in the subject of quantum coding theory, with breakthroughs on many exciting classes of codes, including quantum LDPC codes, quantum locally testable codes, and quantum codes with interesting transversal gates. However, a natural class of quantum codes, which has been well-studied classically, has not yet been treated: those which can be quickly encoded and decoded. This problem concerns the channel capacity setting, where a noise channel sits between perfect encoding and unencoding/decoding operations; this is the setting that is relevant for communication between fault-tolerant quantum computers. In this work, we construct asymptotically good quantum codes that can be encoded and unencoded by quantum circuits of logarithmic depth and consisting of a linear total number of gates. The classical decoding algorithms also run in logarithmic depth and use $\mathcal{O}(n \log n)$ gates, or alternatively a linear number of gates but with higher depth. We further construct explicit and asymptotically good quantum codes whose encoding, unencoding and decoding all use a linear number of gates, and additionally whose encoding and unencoding may be run in logarithmic depth.

quant-ph↗
arXiv2026

Worst-case depth hierarchy for shallow quantum circuits

Circuit depth is a central resource in complexity theory. While bounded-depth classical circuits admit well-understood hierarchy theorems, the internal structure of constant-depth quantum computation remains comparatively unexplored. We prove an explicit depth hierarchy theorem for $\mathsf{QNC}^0$. For each $d\ge 12$, we construct a family of two-round interactive problems on which no depth-$(d-1)$ quantum circuit can achieve near-perfect success, regardless of gate set, circuit size, or ancillary qubits. In contrast, we prove that our construction admits realizations by simple bounded fan-in quantum circuits of depth larger than $d$ by a small constant factor. Moreover, all bounded fan-in classical circuits of sublogarithmic depth (in the input size) fail to achieve perfect success on these tasks for every $d$, yielding a hierarchy of problems that show unconditional quantum advantage of $\mathsf{QNC}^0$ over $\mathsf{NC}^0$. A key obstacle is the scarcity of lower bound techniques for quantum circuits. To address this, we develop methods to analyze how depth affects a circuit's ability to realize nonlocal correlations amongst its output qubits in a fine-grained manner. Our approach exploits the correspondence between constraint systems and nonlocal games, translating group-theoretic constructions into rigid operator-valued constraint systems and then into non-local games. In particular, we construct constraint systems whose unique faithful operator-valued solutions require every perfect strategy, and every near-perfect strategy to a fixed precision, to implement multi-controlled phase operations. This reduces to a nonlocal unitary-synthesis problem, yielding depth lower bounds for both shallow quantum and classical circuits. These results show that increasing depth strictly increases computational power within $\mathsf{QNC}^0$, establishing a genuinely quantum hierarchy.

quant-ph↗
arXiv2026

Bell nonlocality from compatibility of entanglement-breaking channels

Locally classical behavior is often interpreted as evidence that a global classical description should exist. In particular, when individual processes admit classical (measure-and-prepare) realizations, it is natural to expect at least one compatible joint implementation that remains classical. We show that this intuition fails in a simple broadcast setting with one input system and two outputs. Specifically, we construct pairs of compatible channels that are entanglement-breaking individually and thus admit classical descriptions, yet every joint broadcast realization is necessarily Bell-nonlocal between the outputs, even for a maximally mixed input. This establishes a form of compatibility-induced activation of nonlocality: Bell nonlocality arises not from entanglement in the inputs or marginal channels, but solely from the requirement that these marginals admit a common global implementation. In this sense, compatibility is not merely a consistency condition on local descriptions, but a mechanism that can enforce nonclassical correlations at the global level.

quant-ph↗
arXiv2026

Quantum Walks on Simplicial Complexes and Harmonic Homology: Application to Topological Data Analysis with Superpolynomial Speedups

This work investigates whether quantum walks on simplicial complexes exhibit quantum advantages. We introduce a novel quantum walk that encodes the combinatorial Laplacian, a key object reflecting the topology of the simplicial complex. We construct a unitary encoding projecting onto the kernel of the Laplacian, representing the harmonic cycles in the complex's homology. Our efficient construction of quantum walk unitaries for clique complexes paves the way for exploring higher-order interactions within topological structures. Our construction requires $O(n^3\log(1/ε)/λ_k)$ gates, where $n$ is the number of vertices, $λ_k$ is the smallest non-zero eigenvalue of the Laplacian, and $ε$ is the projection error. Our results indicate apparent superpolynomial quantum speedup with quantum walks, without quantum oracles, provided the spectral gap of the Laplacian is inverse-polynomially bounded and efficient simplex sampling is available. Crucially, the walk operates on a state space encompassing both positively and negatively oriented simplices, effectively doubling its size compared to unoriented approaches. Through coherent interference of these paired simplices, we are able to successfully encode the combinatorial Laplacian, which would otherwise be impossible. This is our major technical contribution. We also extend the framework by constructing variant quantum walks that enable us to: (1) estimate normalized persistent Betti numbers throughout a deformation process, (2) verify a specific QMA$_1$-hard problem related to clique complex homology, showcasing potential applications in computational complexity theory, and (3) solve the high-dimensional discrete Dirichlet problem (HDDP), generalizing the classical discrete Dirichlet problem on graphs to simplicial complexes, with an apparent superpolynomial speedup over the best known classical algorithm.

quant-ph↗
arXiv2026

Cryptographic Conditions for Efficient Testing of Distributions and Quantum States

One of the most fundamental problems in distribution testing is the identity testing problem: given samples $x_1,\ldots,x_s$, the goal is to determine whether the samples are drawn from a target distribution $\mathcal{D}$. When $\mathcal{D}$ is a distribution over $\bit^n$, the optimal sample complexity of identity testing is known to be $Ω(\sqrt{2^n})$. Furthermore, most existing results assume that the samples $x_1,\ldots,x_s$ are generated independently from an unknown distribution. In this work, we overcome both of these limitations by initiating study of distribution testing in a more realistic setting. In our model, the unknown distribution is promised to be efficiently samplable, while allowing the observed samples $x_1,\ldots,x_s$ to be adversarially generated and arbitrarily correlated. Under this model, we show that polynomially many samples suffice to verify distributions. We further characterize the computational complexity of verifying classically- and quantumly-samplable distributions. Our techniques also extend to verifications of quantum states. In establishing some of our results, we employ Kolmogorov complexity techniques in a novel manner. We also present multiple applications of Kolmogorov complexity that are of independent interest. In particular, we show that certified randomness with a classical efficient prover can be achieved without computational assumptions when inefficient verification is allowed. Furthermore, we also show that a natural quantum extension of a well-studied Kolmogorov complexity measure provides a good benchmark for certifying sampling-based quantum advantage.

quant-ph↗
arXiv2026

AutoQ 2.0: From Verification of Quantum Circuits to Verification of Quantum Programs (Technical Report)

We present a verifier of quantum programs called AutoQ 2.0. Quantum programs extend quantum circuits (the domain of AutoQ 1.0) by classical control flow constructs, which enable users to describe advanced quantum algorithms in a formal and precise manner. The extension is highly non-trivial, as we needed to tackle both theoretical challenges (such as the treatment of measurement, the normalization problem, and lifting techniques for verification of classical programs with loops to the quantum world), and engineering issues (such as extending the input format with a~support for specifying loop invariants). We have successfully used AutoQ 2.0 to verify two types of advanced quantum programs that cannot be expressed using only quantum circuits: the \emph{repeat-until-success} (RUS) algorithm and the weak-measurement-based version of Grover's search algorithm. AutoQ 2.0 can efficiently verify all our benchmarks: all RUS algorithms were verified instantly and, for the weak-measurement-based version of Grover's search, we were able to handle the case of 100 qubits in $\sim$20 minutes.

cs.LO↗
arXiv2026

Optimizing Quantum Chemistry Simulations with a Hybrid Quantization Scheme

Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents algorithms specialized for their respective quantizations from being integrated within a single circuit, thereby forcing practitioners to rely on suboptimal methods simply to maintain a consistent representation. To address this challenge, we propose a hybrid quantization scheme that employs a conversion circuit to switch between the two, requiring $\mathcal{O}(N\log N\log M)$ gates for a system of N electrons and M orbitals. This capability is critical for constructing complex quantum simulation workflows, allowing us to use the most efficient quantization for each individual step. We discuss its applications to bring polynomial improvements in the characterization of ground-state, ab-initio molecular dynamics, and characterization of spectroscopic properties. Quantitative estimations of such applications found up to three orders of magnitude fewer ground-state preparations when measuring the 2-reduced density matrix of molecular systems.

quant-ph↗
arXiv2026

Equivalence Checking of Quantum Circuits via Path-Sum and Weighted Model Counting

Equivalence checking of quantum circuits is a central verification task in quantum computing, ensuring the correctness of circuit optimizations, hardware mappings, and compilation pipelines. Among the primary symbolic methods for this purpose, the path-sum formalism provides a compact representation with powerful reduction rules that yield a canonical form for the classically simulable Clifford fragment, but confluence fails beyond the Clifford fragment. We introduce a new weighted model counting (WMC) encoding for path-sums and combine it with the existing path-sum reductions to obtain a verifier that is both complete and efficient. Our method applies reductions whenever possible and invokes the WMC-based decision procedure on the residual path-sum, yielding a complete semantic check up to a global phase. We implement the approach and evaluate it on standard benchmarks. Results show that the hybrid method outperforms either component in isolation and competes with state-of-the-art tools.

cs.SC↗
arXiv2026

Correlation-Converged Virtual Orbitals for Accurate and Efficient Quantum Molecular Simulations

Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inadequate description of electron correlation remains a fundamental limitation. Accurate correlation treatments based on many-body Hamiltonians require reliable representations of both occupied and virtual orbitals, yet virtual orbitals are often poorly described in conventional computational schemes, resulting in reduced accuracy. In this work, we introduce localized correlation-converged virtual orbitals (LCCVOs) as an efficient basis for constructing accurate many-body Hamiltonians in molecular systems. Using a substantially reduced number of orbitals, the LCCVO framework yields dissociation energies for singlet, doublet, and triplet molecules that are comparable to, and in many cases exceed, those obtained with high-level correlation-consistent basis sets such as cc-pVXZ (X = D, T, Q, 5). These results demonstrate the efficiency, scalability, and robustness of the LCCVO approach for high-accuracy quantum chemical calculations.

physics.chem-ph↗
arXiv2026

A Neural-Guided Variational Quantum Algorithm for Efficient Sign Structure Learning in Hybrid Architectures

Variational quantum algorithms hold great promise for unlocking the power of near-term quantum processors, yet high measurement costs, barren plateaus, and challenging optimization landscapes frequently hinder them. Here, we introduce sVQNHE, a neural-guided variational quantum algorithm that decouples amplitude and sign learning across classical and quantum modules, respectively. Our approach employs shallow quantum circuits composed of commuting diagonal gates to efficiently model quantum phase information, while a classical neural network learns the amplitude distribution and guides circuit optimization in a bidirectional feedback loop. This hybrid quantum-classical synergy not only reduces measurement costs but also achieves high expressivity with limited quantum resources and improves the convergence rate of the variational optimization. We demonstrate the advancements brought by sVQNHE through extensive numerical experiments. For the 6-qubit J1-J2 model, a prototypical system with a severe sign problem for Monte Carlo-based methods, it reduces the mean absolute error by 98.9% and suppresses variance by 99.6% relative to a baseline neural network, while requiring nearly 19x fewer optimization steps than a standard hardware-efficient VQE. Furthermore, for MaxCut problems on 45-vertex Erdos-Renyi graphs, sVQNHE improves solution quality by 19% and quantum resource efficiency by 85%. Importantly, this framework is designed to be scalable and robust against hardware noise and finite-sampling uncertainty, making it well-suited for both current NISQ processors and future high-quality quantum computers. Our results highlight a promising path forward for efficiently tackling complex many-body and combinatorial optimization problems by fully exploiting the synergy between classical and quantum resources in the NISQ era and beyond.

quant-ph↗
arXiv2026

Pre-training Tensor-Train Networks Facilitates Machine Learning with Variational Quantum Circuits

Data encoding remains a fundamental bottleneck in quantum machine learning, where amplitude encoding of high-dimensional classical vectors into quantum states incurs exponential cost. In this work, we propose a pre-trained tensor-train (TT) encoding network (Pre-TT-Encoder) that significantly reduces the computational complexity of amplitude encoding while preserving essential data structure. The Pre-TT-Encoder exploits low-rank TT decompositions learned from classical data, enabling polynomial-time state preparation in the number of qubits and TT-ranks. We provide a theoretical analysis of the encoding complexity and establish fidelity bounds that quantify the trade-off between TT-rank and approximation error. Empirical evaluations on classical (MNIST) and quantum-native (semiconductor quantum dot) datasets demonstrate that our approach achieves substantial gains in encoding efficiency over direct amplitude encoding and PCA-based dimensionality reduction, while maintaining competitive performance in downstream variational quantum circuit classification tasks. The proposed method highlights the role of tensor networks as scalable intermediaries between classical data and quantum processors.

quant-ph↗
arXiv2026

TensorHyper-VQC: A Tensor-Train-Guided Hypernetwork for Robust and Scalable Variational Quantum Computing

Variational Quantum Computing (VQC) faces fundamental scalability barriers, primarily due to barren plateaus and sensitivity to quantum noise. To address these challenges, we introduce TensorHyper-VQC, a novel tensor-train (TT)-guided hypernetwork framework that significantly improves the robustness and scalability of VQC. Our framework fully delegates the generation of quantum-circuit parameters to a classical TT network, thereby decoupling optimization from quantum hardware. This innovative parameterization mitigates gradient vanishing, enhances noise resilience through structured low-rank representations, and facilitates efficient gradient propagation. Grounded in Neural Tangent Kernel and statistical learning theory, our rigorous theoretical analyses establish strong guarantees on approximation capability, optimization stability, and generalization performance. Extensive empirical results across quantum dot classification, Max-Cut optimization, and molecular quantum simulation tasks demonstrate that TensorHyper-VQC consistently achieves superior performance and robust noise tolerance, including hardware-level validation on a 156-qubit IBM Heron processor. These results position TensorHyper-VQC as a scalable and noise-resilient framework for advancing practical quantum machine learning on near-term devices.

quant-ph↗
arXiv2026

Characterizing the Burst Error Correction Ability of Quantum Cyclic Codes

Quantum burst error correction codes (QBECCs) are of great importance to deal with the memory effect in quantum channels. As the most important family of QBECCs, quantum cyclic codes (QCCs) play a vital role in the correction of burst errors. In this work, we characterize the burst error correction ability of QCCs constructed from the Calderbank-Shor-Steane (CSS) and the Hermitian constructions. We determine the burst error correction limit of QCCs and quantum Reed-Solomon codes with algorithms in polynomial-time complexities. As a result, lots of QBECCs saturating the quantum Reiger bound are obtained. We show that quantum Reed-Solomon codes have better burst error correction abilities than the previous results. At last, we give the quantum error-trapping decoder (QETD) of QCCs for decoding burst errors. The decoder runs in linear time and can decode both degenerate and nondegenerate burst errors. What's more, the numerical results show that QETD can decode much more degenerate burst errors than the nondegenerate ones.

quant-ph↗