arXiv subjects

Xiao Yuan

Publications and source records attributed to Xiao Yuan.

At least 55 records · Page 3Linked to original sources

arXiv2025

Auxiliary-Free Replica Shadows: Efficient Estimation of Multiple Nonlinear Quantum Properties

Efficient estimation of nonlinear properties is a significant yet challenging task from quantum information processing to many-body physics. Current methodologies often suffer from an exponential sampling cost or require auxiliary qubits and deep quantum circuits. To address these limitations, we propose an efficient auxiliary-free replica shadow (AFRS) framework, which leverages the power of the joint entangling operation on a few input replicas while integrating the mindset of shadow estimation. We rigorously prove that AFRS can offer exponential improvements in estimation accuracy compared with the conventional shadow method, and facilitate the simultaneous estimation of various nonlinear properties, unlike the destructive swap test. Additionally, we introduce an advanced local-AFRS variant tailored to estimating local observables with constant-depth quantum circuits, significantly simplifying the experimental implementation. Our work paves the way for efficient and practical estimation of nonlinear properties on near-term quantum devices.

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arXiv2025

Obtaining Accurate Ground-State Properties on Near-term Quantum Devices

Accurate ground-state calculations on noisy quantum computers are fundamentally limited by restricted ansatz expressivity and unavoidable hardware errors. We introduce a hybrid-quantum classical framework that simultaneously addresses these challenges. Our method systematically purifies noisy two electron reduced density matrices from quantum devices by enforcing N-representability conditions through efficient semidefinite programming, guided by a norm-based distance constraint to the experimental data. To implement this constraint, we develop a hardware efficient calibration protocol based on Clifford circuits. We demonstrate near full configuration interaction accuracy for ground-state energies of H2, LiH, and H4, and compute precise scattering intensities for C6H8 on noisy hardware. This approach surpasses conventional methods by simultaneously overcoming both ansatz limitations and hardware noise, establishing a scalable route to quantum advantage and marking a critical step toward reliable simulations of complex molecularnsystems on noisy devices.

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arXiv2025

Heisenberg-Limited Quantum Eigenvalue Estimation for Non-normal Matrices

Estimating the eigenvalues of non-normal matrices is a foundational problem with far-reaching implications, from modeling non-Hermitian quantum systems to analyzing complex fluid dynamics. Yet, this task remains beyond the reach of standard quantum algorithms, which are predominantly tailored for Hermitian matrices. Here we introduce a new class of quantum algorithms that directly address this challenge. The central idea is to construct eigenvalue signals through customized quantum simulation protocols and extract them using advanced classical signal-processing techniques, thereby enabling accurate and efficient eigenvalue estimation for general non-normal matrices. Crucially, when supplied with purified quantum state inputs, our algorithms attain Heisenberg-limited precision--achieving optimal performance. These results extend the powerful guided local Hamiltonian framework into the non-Hermitian regime, significantly broadening the frontier of quantum computational advantage. Our work lays the foundation for a rigorous and scalable quantum computing approach to one of the most demanding problems in linear algebra.

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arXiv2025

Digital adiabatic evolution is universally accurate

Adiabatic evolution is a central paradigm in quantum physics. Digital simulations of adiabatic processes are generally viewed as costly, since algorithmic errors typically accumulate over the long evolution time, requiring exceptionally deep circuits to maintain accuracy. This work demonstrates that digital adiabatic evolution is intrinsically accurate and robust to simulation errors. We analyze two Hamiltonian simulation methods -- Trotterization and generalized quantum signal processing -- and prove that the simulation error does not increase with time. Numerical simulations of molecular systems and linear equations confirm the theory, revealing that digital adiabatic evolution is substantially more efficient than previously assumed. Remarkably, our estimation for the first-order Trotterization error can be 10^6 times tighter than previous analyses for the transverse field Ising model even with less than 6 qubits. The findings establish fundamental robustness of digital adiabatic evolution and provide a basis for accurate, efficient implementations on fault-tolerant -- and potentially near-term -- quantum platforms.

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arXiv2025

Exponential quantum advantages for practical non-Hermitian eigenproblems

Non-Hermitian physics has emerged as a rich field of study, with applications ranging from $PT$-symmetry breaking and skin effects to non-Hermitian topological phase transitions. Yet most studies remain restricted to small-scale or classically tractable systems. While quantum computing has shown strong performance in Hermitian eigenproblems, its extension to the non-Hermitian regime remains largely unexplored. Here, we develop a quantum algorithm to address general non-Hermitian eigenvalue problems, specifically targeting eigenvalues near a given line in the complex plane -- thereby generalizing previous results on ground state energy and spectral gap estimation for Hermitian matrices. Our method combines a fuzzy quantum eigenvalue detector with a divide-and-conquer strategy to efficiently isolate relevant eigenvalues. This yields a provable exponential quantum speedup for non-Hermitian eigenproblems. Furthermore, we discuss the broad applications in detecting spontaneous $PT$-symmetry breaking, estimating Liouvillian gaps, and analyzing classical Markov processes. These results highlight the potential of quantum algorithms in tackling challenging problems across quantum physics and beyond.

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arXiv2025

PALQO: Physics-informed Model for Accelerating Large-scale Quantum Optimization

Variational quantum algorithms (VQAs) are leading strategies to reach practical utilities of near-term quantum devices. However, the no-cloning theorem in quantum mechanics precludes standard backpropagation, leading to prohibitive quantum resource costs when applying VQAs to large-scale tasks. To address this challenge, we reformulate the training dynamics of VQAs as a nonlinear partial differential equation and propose a novel protocol that leverages physics-informed neural networks (PINNs) to model this dynamical system efficiently. Given a small amount of training trajectory data collected from quantum devices, our protocol predicts the parameter updates of VQAs over multiple iterations on the classical side, dramatically reducing quantum resource costs. Through systematic numerical experiments, we demonstrate that our method achieves up to a 30x speedup compared to conventional methods and reduces quantum resource costs by as much as 90\% for tasks involving up to 40 qubits, including ground state preparation of different quantum systems, while maintaining competitive accuracy. Our approach complements existing techniques aimed at improving the efficiency of VQAs and further strengthens their potential for practical applications.

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arXiv2025

Classical Algorithms for Hamiltonian Dynamics Mean Value and Guided Local Hamiltonian Problem

The efficient simulation of quantum dynamics and ground states is a central challenge in physics and a key frontier for quantum advantage. While short-time evolution in one-dimensional systems can often be simulated classically, extending this to higher dimensions remains difficult. Here, we introduce an efficient classical algorithm for simulating the short-time dynamics of arbitrary local quantum systems. For any local Hamiltonian $H$ and constant evolution time $t$, our method estimates expectation values of the form $\langleψ|e^{iHt}Oe^{-iHt}|ψ\rangle$ for global Pauli observables $O$ and stabilizer states $|ψ\rangle$, with high precision and exponentially small failure probability. Furthermore, we present a classical dequantization of a tailored quantum algorithm that efficiently solves the guided local Hamiltonian (GLH) problem to constant additive error - previously considered classically hard and hence a promising candidate for quantum computational advantage. These results reveal unexpected classical tractability in constant-time quantum dynamics and fundamental connections between Hamiltonian dynamics mean value and the GLH problem. Our work refines the boundary between classical and quantum computational power, identifying sharper criteria for regimes where quantum advantage may genuinely emerge.

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arXiv2025

Large-scale Efficient Molecule Geometry Optimization with Hybrid Quantum-Classical Computing

Accurately and efficiently predicting the equilibrium geometries of large molecules remains a central challenge in quantum computational chemistry, even with hybrid quantum-classical algorithms. Two major obstacles hinder progress: the large number of qubits required and the prohibitive cost of conventional nested optimization. In this work, we introduce a co-optimization framework that combines Density Matrix Embedding Theory (DMET) with Variational Quantum Eigensolver (VQE) to address these limitations. This approach substantially reduces the required quantum resources, enabling the treatment of molecular systems significantly larger than previously feasible. We first validate our framework on benchmark systems, such as H4 and H2O2, before demonstrating its efficacy in determining the equilibrium geometry of glycolic acid C2H4O3, a molecule of a size previously considered intractable for quantum geometry optimization. Our results show the method achieves high accuracy while drastically lowering computational cost. This work thus represents a significant step toward practical, scalable quantum simulations, moving beyond the small, proof-of-concept molecules that have historically dominated the field. More broadly, our framework establishes a tangible path toward leveraging quantum advantage for the in silico design of complex catalysts and pharmaceuticals.

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arXiv2025

Heisenberg limited quantum algorithm for estimating the fidelity susceptibility

The fidelity susceptibility serves as a universal probe for quantum phase transitions, offering an order-parameter-free metric that captures ground-state sensitivity to Hamiltonian perturbations and exhibits critical scaling. Classical computation of this quantity, however, is limited by exponential Hilbert space growth and correlation divergence near criticality, restricting analyses to small or specialized systems. Here, we present a quantum algorithm that achieves efficient and Heisenberg-limited estimation of fidelity susceptibility through a novel resolvent reformulation, leveraging quantum singular value transformation for pseudoinverse block encoding with amplitude estimation for norm evaluation. This constitutes the first quantum algorithm for fidelity susceptibility with optimal precision scaling. Moreover, for frustration-free Hamiltonians, we show that the resolvent can be approximated with a further quadratic speedup. Our work bridges quantum many-body physics and algorithmic design, enabling scalable exploration of quantum criticality with applications in materials simulation, metrology, and beyond on fault-tolerant quantum platforms.

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arXiv2025

Measuring Less to Learn More: Quadratic Speedup in learning Nonlinear Properties of Quantum Density Matrices

A fundamental task in quantum information science is to measure nonlinear functionals of quantum states, such as $\mathrm{Tr}(ρ^k O)$. Intuitively, one expects that computing a $k$-th order quantity generally requires $O(k)$ copies of the state $ρ$, and we rigorously establish this lower bound under sample access to $ρ$. Surprisingly, this limitation can be overcome when one has purified access via a unitary that prepares a purification of $ρ$, a scenario naturally arising in quantum simulation and computation. In this setting, we find a different lower bound of $Θ(\sqrt{k})$, and present a quantum algorithm that achieves this bound, demonstrating a quadratic advantage over sample-based methods. The key technical innovation lies in a designed quantum algorithm and optimal polynomial approximation theory -- specifically, Chebyshev polynomial approximations tailored to the boundary behavior of power functions. Our results unveil a fundamental distinction between sample and purified access to quantum states, with broad implications for estimating quantum entropies and quantum Fisher information, realizing quantum virtual distillation and cooling, and evaluating other multiple nonlinear quantum observables with classical shadows.

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arXiv2025

Universal Quantum Computational Spectroscopy on a Quantum Chip

Spectroscopy underpins modern scientific discovery across diverse disciplines. While experimental spectroscopy probes material properties through scattering or radiation measurements, computational spectroscopy combines theoretical models with experimental data to predict spectral properties, essential for advancements in physics, chemistry, and materials science. However, quantum systems present unique challenges for computational spectroscopy due to their inherent complexity, and current quantum algorithms remain largely limited to static and closed quantum systems. Here, we present and demonstrate a universal quantum computational spectroscopy framework that lifts these limitations. Through leveraging coherently controlled quantum dynamics, our method efficiently reconstructs the spectral information for both closed and open systems, furtherly for time-dependent driven systems. We experimentally validate this approach using a programmable silicon-photonic quantum processing chip, capable of high-fidelity time-evolution simulations. The versatility of our framework is demonstrated through spectroscopic computations for diverse quantum systems -- including spin systems, non-Hermitian systems, and quantum Floquet systems -- revealing novel phenomena such as parity-time symmetry breaking and topological holonomy that are inaccessible to conventional spectroscopy or quantum eigenstate algorithms. {Furthermore, systematic benchmarking of UQCS against existing quantum algorithms is numerically performed to demonstrate its unprecedented capabilities and superior performance. This work establishes a noise-robust and transformative paradigm for quantum spectral analysis.

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arXiv2025

Learning the Complexity of Weakly Noisy Quantum States

Quantifying the complexity of quantum states is a longstanding key problem in various subfields of science, ranging from quantum computing to the black-hole theory. The lower bound on quantum pure state complexity has been shown to grow linearly with system size [Haferkamp et al., 2022]. However, extending this result to noisy circuit environments, which better reflect real quantum devices, remains an open challenge. In this paper, we explore the complexity of weakly noisy quantum states via the quantum learning method. We present an efficient learning algorithm, that leverages the classical shadow representation of target quantum states, to predict the circuit complexity of weakly noisy quantum states. Our algorithm is proved to be optimal in terms of sample complexity accompanied with polynomial classical processing time. Our result builds a bridge between the learning algorithm and quantum state complexity, meanwhile highlighting the power of learning algorithm in characterizing intrinsic properties of quantum states.

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arXiv2025

Constant-Overhead Magic State Injection into qLDPC Codes with Error Independence Guarantees

Magic states are essential yet resource-intensive components for realizing universal fault-tolerant quantum computation. Preparing magic states within emerging quantum low-density parity-check (qLDPC) codes poses additional challenges, due to the complex encoding structures. Here, we introduce a generic and scalable method for magic state injection into arbitrarily selected logical qubits encoded using qLDPC codes. Our approach, based on parallelized code surgery, supports the injection from either physical qubits or low-distance logical qubits. For qLDPC code families with asymptotically constant encoding rates, the method achieves injection into $Θ(k)$ logical qubits -- where $k$ denotes the logical qubit number of the code -- with only constant qubit overhead and a time complexity of $\tilde{O}(d^2)$, where $d$ is the code distance. A central contribution of this work is a rigorous proof that errors affecting the injected magic states remain independent throughout the procedure. This independence ensures the resilience of logical qubits against interactions with noisy ancillae and preserves the presumption of subsequent magic state distillation protocols. We further support our theoretical results with numerical validation through circuit-level simulations. These findings advance the feasibility of scalable, fault-tolerant universal quantum computing using qLDPC codes, offering a pathway to significantly reduced qubit resource requirements in magic state injection.

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arXiv2025

Hamiltonian Dynamics Learning: A Scalable Approach to Quantum Process Characterization

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient quantum process learning method specifically designed for short-time Hamiltonian dynamics. Our approach reconstructs an equivalent quantum circuit representation from measurement data of unknown Hamiltonian evolution without requiring additional assumptions and achieves polynomial sample and computational efficiency. Our results have broad applications in various directions. We demonstrate applications in quantum machine learning, where our protocol enables efficient training of variational quantum neural networks by directly learning unitary transformations. Additionally, it facilitates the prediction of quantum expectation values with provable efficiency and provides a robust framework for verifying quantum computations and benchmarking realistic noisy quantum hardware. This work establishes a new theoretical foundation for practical quantum dynamics learning, paving the way for scalable quantum process characterization in both near-term and fault-tolerant quantum computing.

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arXiv2025

Fault-tolerant quantum algorithms for quantum molecular systems: A survey

Solving quantum molecular systems presents a significant challenge for classical computation. The advent of early fault-tolerant quantum computing (EFTQC) devices offers a promising avenue to address these challenges, leveraging advanced quantum algorithms with reduced hardware requirements. This review surveys the latest developments in EFTQC and fully fault-tolerant quantum computing (FFTQC) algorithms for quantum molecular systems, covering encoding schemes, advanced Hamiltonian simulation techniques, and ground-state energy estimation methods. We highlight recent progress in overcoming practical barriers, such as reducing circuit depth and minimizing the use of ancillary qubits. Special attention is given to the potential quantum advantages achievable through these algorithms, as well as the limitations imposed by dequantization and classical simulation techniques. The review concludes with a discussion of future directions, emphasizing the need for optimized algorithms and experimental validation to bridge the gap between theoretical developments and practical implementation in EFTQC and FFTQC for quantum molecular systems.

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arXiv2025

Robust Mølmer-Sørensen Gate Against Symmetric and Asymmetric Errors

To achieve the entangling gate fidelity above the quantum error correction threshold, it is critical to suppress errors due to experimental imperfection. We consider the Mølmer-Sørensen gates in trapped-ion systems, and develop a general approach to suppress a family of noise sources that appeared as either symmetric or asymmetric errors. Using the time-average displacement minimization technique, both symmetric error and displacement-dependent part of the asymmetric errors are eliminated. Then, by analyzing the tangent space of displacement-independent errors, we obtain the analytic form of the generators of the correction operator to the remaining error terms. We then develop a compensation pulse to fully suppress the remaining displacement-independent errors. The effectiveness of our scheme is further verified by numerical analysis, through which we observe a significant reduction of entangling gate infidelity. Our findings enhance gate fidelity and robustness to noise for ion trap quantum computing.

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arXiv2024

Exponentially reduced circuit depths in Lindbladian simulation

Quantum computers can efficiently simulate Lindbladian dynamics, enabling powerful applications in open system simulation, thermal and ground-state preparation, autonomous quantum error correction, dissipative engineering, and more. Despite the abundance of well-established algorithms for closed-system dynamics, simulating open quantum systems on digital quantum computers remains challenging due to the intrinsic requirement for non-unitary operations. Existing methods face a critical trade-off: either relying on resource-intensive multi-qubit operations with experimentally challenging approaches or employing deep quantum circuits to suppress simulation errors using experimentally friendly methods. In this work, we challenge this perceived trade-off by proposing an efficient Lindbladian simulation framework that minimizes circuit depths while remaining experimentally accessible. Based on the incoherent linear combination of superoperators, our method achieves exponential reductions in circuit depth using at most two ancilla qubits and the straightforward Trotter decomposition of the process. Furthermore, our approach extends to simulate time-dependent Lindbladian dynamics, achieving logarithmic dependence on the inverse accuracy for the first time. Rigorous numerical simulations demonstrate clear advantages of our method over existing techniques. This work provides a practical and scalable solution for simulating open quantum systems on quantum devices.

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arXiv2024

A Dequantized Algorithm for the Guided Local Hamiltonian Problem

The local Hamiltonian (LH) problem, the quantum analog of the classical constraint satisfaction problem, is a cornerstone of quantum computation and complexity theory. It is known to be QMA-complete, indicating that it is challenging even for quantum computers. Interestingly, the guided local Hamiltonian (GLH) problem -- an LH problem with a guiding state that has a non-trivial overlap with the ground state -- can be efficiently solved on a quantum computer and is proved to be BQP-complete. This makes the GLH problem a valuable framework for exploring the fundamental separation between classical and quantum computation. Remarkably, the quantum algorithm for solving the GLH problem can be `dequantized' (i.e., made classically simulatable) under certain conditions, such as when only constant accuracy is required and when the Hamiltonian satisfies an unrealistic constant operator norm constraint. In this work, we relieve these restrictions by introducing a dequantized classical algorithm for a randomized quantum imaginary-time evolution quantum algorithm. We demonstrate that it achieves either limited or arbitrary constant accuracy, depending on whether the guiding state's overlap is general or exceeds a certain threshold. Crucially, our approach eliminates the constant operator norm constraint on the Hamiltonian, opening its applicability to realistic problems. Our results advance the classical solution of the GLH problem in practical settings and provide new insights into the boundary between classical and quantum computational power.

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