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Linghua Zhu

Publications and source records attributed to Linghua Zhu.

16 recordsLinked to original sources

Rethinking Noise in Quantum Machine Learning: When Noise Improves Learning

Quantum noise is conventionally viewed as a fundamental obstacle in near-term quantum computing, motivating extensive error correction and mitigation strategies. \REV{We present numerical evidence within an effective noise modeling framework that challenges this consensus. Through experiments on quantum graph neural networks for molecular property prediction, we observe heterogeneous, initialization-dependent responses within this effective noise modeling framework.} Among randomly initialized models with identical architecture, approximately one-third show performance improvement under moderate noise, while a smaller fraction deteriorate and the remainder are marginally affected. We identify a strong negative correlation (r = -0.62) between baseline model performance and noise benefit, suggesting \REV{a regularization-like effect for under-optimized models while disrupting well-converged ones}. The observed optimal noise level falls below theoretical predictions, indicating error cancellation in structured quantum circuits. These findings suggest that, within the adopted effective noise model, noise effects depend critically on initialization quality and need not be uniformly detrimental, motivating structure- and noise-aware optimization strategies.

quant-ph

A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25--100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, for instance, multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

quant-ph

QuGStep: Refining Step Size Selection in Gradient Estimation for Variational Quantum Algorithms

Variational quantum algorithms (VQAs) offer a promising approach to solving computationally demanding problems by combining parameterized quantum circuits with classical optimization. Estimating probabilistic outcomes on quantum hardware requires repeated measurements (shots). However, in practice, the limited shot budget introduces significant noise in the evaluation of the objective function. Gradient estimation in VQAs often relies on the finite-difference, which evaluates the noisy objective function at perturbed circuit parameter values. The accuracy of this estimation is highly dependent on the choice of step size for these perturbations. An inappropriate step size can exacerbate the impact of noise, causing inaccurate gradient estimates and hindering the classical optimization in VQAs. This paper proposes QuGStep, an algorithm that addresses the challenge of determining the appropriate step size for finite-difference gradient estimation under a shot budget. QuGStep is grounded in a theorem that proves the optimal step size, which accounts for the shot budget, minimizes the error bound in gradient estimation using finite differences. Numerical experiments approximating the ground state energy of several molecules demonstrate that QuGStep can identify the appropriate step size for the given shot budget to obtain effective gradient estimation. Notably, the step size identified by QuGStep achieved convergence to the ground state energy with over 94% fewer shots compared to using a default step size (i.e., step size of 0.01). These findings highlight the potential of QuGStep to improve the practical deployment and scalability of quantum computing technologies.

quant-ph

Problem-Structure-Informed Quantum Approximate Optimization Algorithm for Large-Scale Unit Commitment with Limited Qubits

As power systems expand, solving the Unit Commitment Problem (UCP) becomes increasingly challenging due to the dimensional catastrophe, and traditional methods often struggle to balance computational efficiency and solution quality. To tackle this issue, we propose a problem-structure-informed Quantum Approximate Optimization Algorithm (QAOA) framework that fully exploits the quantum advantage under extremely limited quantum resources. Specifically, we leverage the inherent topological structure of power systems to decompose large-scale UCP instances into smaller subproblems, each solvable in parallel by limited number of qubits. This decomposition not only circumvents the current hardware limitations of quantum computing but also achieves higher performance as the graph structure of the power system becomes more sparse. Consequently, our approach can be readily extended to future power systems that are larger and more complex.

eess.SY

Quantum Reinforcement Learning-Based Two-Stage Unit Commitment Framework for Enhanced Power Systems Robustness

Unit commitment (UC) optimizes the start-up and shutdown schedules of generating units to meet load demand while minimizing costs. However, the increasing integration of renewable energy introduces uncertainties for real-time scheduling. Existing solutions face limitations both in modeling and algorithmic design. At the modeling level, they fail to incorporate widely adopted virtual power plants (VPPs) as flexibility resources, missing the opportunity to proactively mitigate potential real-time imbalances or ramping constraints through foresight-seeing decision-making. At the algorithmic level, existing probabilistic optimization, multi-stage approaches, and machine learning, face challenges in computational complexity and adaptability. To address these challenges, this study proposes a novel two-stage UC framework that incorporates foresight-seeing sequential decision-making in both day-ahead and real-time scheduling, leveraging VPPs as flexibility resources to proactively reserve capacity and ramping flexibility for upcoming renewable energy uncertainties over several hours. In particular, we develop quantum reinforcement learning (QRL) algorithms that integrate the foresight-seeing sequential decision-making and scalable computation advantages of deep reinforcement learning (DRL) with the parallel and high-efficiency search capabilities of quantum computing. Experimental results demonstrate that the proposed QRL-based approach outperforms in computational efficiency, real-time responsiveness, and solution quality.

eess.SY

Advancing Hybrid Quantum Neural Network for Alternative Current Optimal Power Flow

Alternative Current Optimal Power Flow (AC-OPF) is essential for efficient power system planning and real-time operation but remains an NP-hard and non-convex optimization problem with significant computational challenges. This paper proposes a novel hybrid classical-quantum deep learning framework for AC-OPF problem, integrating parameterized quantum circuits (PQCs) for feature extraction with classical deep learning for data encoding and decoding. The proposed framework integrates two types of residual connection structures to mitigate the ``barren plateau" problem in quantum circuits, enhancing training stability and convergence. Furthermore, a physics-informed neural network (PINN) module is incorporated to guarantee tolerable constraint violation, improving the physical consistency and reliability of AC-OPF solutions. Experimental evaluations on multiple IEEE test systems demonstrate that the proposed approach achieves superior accuracy, generalization, and robustness to quantum noise while requiring minimal quantum resources.

eess.SY

Evaluating Uncertainties in Electricity Markets via Machine Learning and Quantum Computing

The analysis of decision-making process in electricity markets is crucial for understanding and resolving issues related to market manipulation and reduced social welfare. Traditional Multi-Agent Reinforcement Learning (MARL) method can model decision-making of generation companies (GENCOs), but faces challenges due to uncertainties in policy functions, reward functions, and inter-agent interactions. Quantum computing offers a promising solution to resolve these uncertainties, and this paper introduces the Quantum Multi-Agent Deep Q-Network (Q-MADQN) method, which integrates variational quantum circuits into the traditional MARL framework. The main contributions of the paper are: identifying the correspondence between market uncertainties and quantum properties, proposing the Q-MADQN algorithm for simulating electricity market bidding, and demonstrating that Q-MADQN allows for a more thorough exploration and simulates more potential bidding strategies of profit-oriented GENCOs, compared to conventional methods, without compromising computational efficiency. The proposed method is illustrated on IEEE 30-bus test network, confirming that it offers a more accurate model for simulating complex market dynamics.

eess.SY

Artificial-Intelligence-Driven Shot Reduction in Quantum Measurement

Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware requires repeated measurements (shots), incurring significant costs as accuracy increases. Optimizing shot allocation is thus critical for improving the efficiency of VQE. Current strategies rely heavily on hand-crafted heuristics requiring extensive expert knowledge. This paper proposes a reinforcement learning (RL) based approach that automatically learns shot assignment policies to minimize total measurement shots while achieving convergence to the minimum of the energy expectation in VQE. The RL agent assigns measurement shots across VQE optimization iterations based on the progress of the optimization. This approach reduces VQE's dependence on static heuristics and human expertise. When the RL-enabled VQE is applied to a small molecule, a shot reduction policy is learned. The policy demonstrates transferability across systems and compatibility with other wavefunction ansatzes. In addition to these specific findings, this work highlights the potential of RL for automatically discovering efficient and scalable quantum optimization strategies.

quant-ph

Optimizing Shot Assignment in Variational Quantum Eigensolver Measurement

The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages. However, the measurement step within the VQE framework presents challenges. It can introduce noise and errors while estimating the objective function with a limited measurement budget. Such error can slow down or prevent the convergence of VQE. To reduce measurement error, many repeated measurements are needed to average out the noise in the objective function. By consolidating Hamiltonian terms into cliques, simultaneous measurements can be performed, reducing the overall measurement shot count. However, limited prior knowledge of each clique, such as noise level of measurement, poses a challenge. This work introduces two shot assignment strategies based on estimating the standard deviation of measurements to improve the convergence of VQE and reduce the required number of shots. These strategies specifically target two distinct scenarios: overallocated and underallocated shots. The efficacy of the optimized shot assignment strategy is demonstrated through numerical experiments conducted on a H$_2$ molecule. This research contributes to the advancement of VQE as a practical tool for solving quantum chemistry problems, paving the way for future applications in complex scientific simulations on quantum computers.

quant-ph

How Much Entanglement Do Quantum Optimization Algorithms Require?

Many classical optimization problems can be mapped to finding the ground states of diagonal Ising Hamiltonians, for which variational quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) provide heuristic methods. Because the solutions of such classical optimization problems are necessarily product states, it is unclear how entanglement affects their performance. An Adaptive Derivative-Assembled Problem-Tailored (ADAPT) variation of QAOA improves the convergence rate by allowing entangling operations in the mixer layers whereas it requires fewer CNOT gates in the entire circuit. In this work, we study the entanglement generated during the execution of ADAPT-QAOA. Through simulations of the weighted Max-Cut problem, we show that ADAPT-QAOA exhibits substantial flexibility in entangling and disentangling qubits. By incrementally restricting this flexibility, we find that a larger amount of entanglement entropy at earlier stages coincides with faster convergence at later stages. In contrast, while the standard QAOA quickly generates entanglement within a few layers, it cannot remove excess entanglement efficiently. Our results demonstrate that the role of entanglement in quantum optimization is subtle and provide guidance for building favorable features into quantum optimization algorithms.

quant-ph

An adaptive quantum approximate optimization algorithm for solving combinatorial problems on a quantum computer

The quantum approximate optimization algorithm (QAOA) is a hybrid variational quantum-classical algorithm that solves combinatorial optimization problems. While there is evidence suggesting that the fixed form of the standard QAOA ansatz is not optimal, there is no systematic approach for finding better ansätze. We address this problem by developing an iterative version of QAOA that is problem-tailored, and which can also be adapted to specific hardware constraints. We simulate the algorithm on a class of Max-Cut graph problems and show that it converges much faster than the standard QAOA, while simultaneously reducing the required number of CNOT gates and optimization parameters. We provide evidence that this speedup is connected to the concept of shortcuts to adiabaticity.

quant-ph

Adaptive variational algorithms for quantum Gibbs state preparation

The preparation of Gibbs thermal states is an important task in quantum computation with applications in quantum simulation, quantum optimization, and quantum machine learning. However, many algorithms for preparing Gibbs states rely on quantum subroutines which are difficult to implement on near-term hardware. Here, we address this by (i) introducing an objective function that, unlike the free energy, is easily measured, and (ii) using dynamically generated, problem-tailored ansätze. This allows for arbitrarily accurate Gibbs state preparation using low-depth circuits. To verify the effectiveness of our approach, we numerically demonstrate that our algorithm can prepare high-fidelity Gibbs states across a broad range of temperatures and for a variety of Hamiltonians.

quant-ph

Observation of Flat Frequency Bands at Open Edges and Antiphase Boundary Seams in Topological Mechanical Metamaterials

Motivated by the recent theoretical studies on a two-dimensional (2D) chiral Hamiltonian based on the Su-Schrieffer-Heeger chains, we experimentally and computationally demonstrate that topological flat frequency bands can occur at open edges of 2D planar metamaterials and at antiphase boundary seams of ring-shaped or tubular metamaterials. Specifically, using mechanical systems made of magnetically coupled spinners, we reveal that the presence of the edge or seam bands that are flat in the entire projected reciprocal space follows the predictions based on topological winding numbers. The edge-to-edge distance sensitively controls the flatness of the edge bands and the localization of excitations. The analogue of the fractional charge state is also observed. Possible realizations of flat bands in a large class of metamaterials, including photonic crystals and electronic metamaterials, are discussed.

cond-mat.mes-hall

Efficient Symmetry-Preserving State Preparation Circuits for the Variational Quantum Eigensolver Algorithm

The variational quantum eigensolver is one of the most promising approaches for performing chemistry simulations using noisy intermediate-scale quantum (NISQ) processors. The efficiency of this algorithm depends crucially on the ability to prepare multi-qubit trial states on the quantum processor that either include, or at least closely approximate, the actual energy eigenstates of the problem being simulated while avoiding states that have little overlap with them. Symmetries play a central role in determining the best trial states. Here, we present efficient state preparation circuits that respect particle number, total spin, spin projection, and time-reversal symmetries. These circuits contain the minimal number of variational parameters needed to fully span the appropriate symmetry subspace dictated by the chemistry problem while avoiding all irrelevant sectors of Hilbert space. We show how to construct these circuits for arbitrary numbers of orbitals, electrons, and spin quantum numbers, and we provide explicit decompositions and gate counts in terms of standard gate sets in each case. We test our circuits in quantum simulations of the $H_2$ and $LiH$ molecules and find that they outperform standard state preparation methods in terms of both accuracy and circuit depth.

quant-ph

Flat Energy Bands within Antiphase and Twin Boundaries and at Open Edges in Topological Materials

A model for two-dimensional electronic, photonic, and mechanical metamaterial systems is presented, which has flat one-dimensional zero-mode energy bands and stable localized states of a topological origin confined within twin boundaries, antiphase boundaries, and at open edges. Topological origins of these flat bands are analyzed for an electronic system as a specific example, using a two-dimensional extension of the Su-Schrieffer-Heeger Hamiltonian with alternating shift of the chains. It is demonstrated that the slow group velocities of the localized flat band states are sensitively controlled by the distance between the boundaries and the propagation can be guided through designed paths of these boundaries. We also discuss how to realize this model in metamaterials.

cond-mat.mes-hall

Photoinduced Nonequilibrium Dynamics in Charge Ordered Materials

We study the nonequilibrium dynamics of photoinduced phase transitions in charge ordered (CO) systems with a strong electron-lattice interaction and analyze the interplay between electrons, periodic lattice distortions, and a phonon thermal reservoir. Simulations based on a tight-binding Hamiltonian and Boltzmann equations reveal partially decoupled oscillations of the electronic order parameter and the periodic lattice distortion during CO melting, which becomes more energy efficient with lower photon energy. The cooling rate of the electron system correlates with the CO gap dynamics, responsible for an order of magnitude decrease in the cooling rate upon the gap reopening. We also find that the time-dependent frequency of coherent oscillation reflects the dynamics of the energy landscape, such as transition between single-well and double-well, which sensitively depends on the photon energy and the pump fluence. The results demonstrate the intricate nonequilibrium dynamics in CO materials.

cond-mat.str-el