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Muqing Zheng

Publications and source records attributed to Muqing Zheng.

At least 19 recordsLinked to original sources

Encoding Choices and Fault-Tolerant Resource Estimates for Digital Quantum Hamiltonian Descent

Quantum Hamiltonian descent (QHD) formulates continuous optimization as time-dependent quantum dynamics, where a kinetic term drives exploration and a potential term encodes the objective function. Digital implementations of QHD require encoding the search space into qubits, and this choice can shift the dominant cost among logical qubits, circuit depth, non-Clifford rotations, and potential synthesis. In this work, we present an encoding-aware resource analysis comparing one-hot and binary amplitude encodings for QHD. We derive gate-count scalings, construct and validate circuits against classical \Sch-equation solvers, and estimate Clifford+$R_z$ and fault-tolerant Clifford+$T$ resources on benchmark optimization problems. Binary encoding reduces the data register from $O(dN)$ to $O(d\log N)$ qubits and gives comparable asymptotic scaling for both kinetic and potential evolutions. Across all benchmark problems studied, binary encoding also uses fewer $R_z$ rotations than one-hot encoding, making it the preferred option for fault-tolerant implementations where arbitrary rotations dominate the cost. Kinetic approximations based on low-momentum spectra and approximate QFTs can further reduce the binary kinetic cost to polylogarithmic scaling. However, for targets such as Ackley, potential synthesis can dominate the total cost and reduce the benefit of kinetic approximations. These results suggest that exploiting the analytic structure of the target function to compile the potential evolution in QHD more efficiently is needed for further resource reductions.

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Quantum Information Harvesting with the Parallel Quantum Flow Algorithm

The Quantum Flow (QFlow) algorithm provides a resource-efficient framework for describing correlated many-body systems on hybrid quantum-classical architectures. By enabling parallel utilization of quantum and classical resources, QFlow offers a scalable pathway toward simulations of realistic systems. In this Letter, we report a high-performance computing (HPC) implementation of the QFlow formalism based on a singles-and-doubles model. We demonstrate its performance for target spaces comprising 82 and 114 orbitals, where the flow includes all 6 active electrons in 6 active orbitals type active spaces. In the largest QFlow simulations, we optimize 1.17 million wave function parameters using the equivalent of 12 qubits. Despite the modest qubit requirements of the underlying active-space problems, the method recovers over $95\%$ of the total correlation energy obtained with the coupled cluster singles and doubles (CCSD) approach for systems dominated by dynamical correlation effects, which remain challenging for existing quantum algorithms. We further show that the QFlow formalism retains high accuracy in extended basis sets with diffuse functions, highlighting its potential for realistic large-scale quantum chemistry simulations.

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Benchmarking and Resource Analysis for Augmented-Lagrangian Quantum Hamiltonian Descent

Quantum Hamiltonian Descent (QHD) is a continuous optimization algorithm based on simulating a time-dependent quantum Hamiltonian whose potential energy encodes the objective function and whose kinetic energy promotes exploration through quantum interference and tunneling. While QHD is formulated for unconstrained optimization, many real-world optimization problems are constrained and highly nonconvex. In this paper, we benchmark AL-QHD, a hybrid framework that embeds QHD within the Augmented Lagrangian Method (ALM), thereby solving a sequence of unconstrained subproblems while using ALM to enforce constraints. We evaluate AL-QHD on standard nonconvex test functions and use iterative refinement to improve solution accuracy at fixed per-run qubit cost. We also perform a gate-based resource analysis on ACOPF-derived power system subproblems constructed from power-network data to estimate the quantum-computer scale required for practical applications. Resource estimates on Texas7k-derived ACOPF instances show steep hard-gate scaling, reaching $\sim 4.46 \times 10^7$ entangling gates in a NISQ-oriented model and $\sim 9.42 \times 10^8$ T gates in a fault-tolerant model at $\sim 5.3 \times 10^2$ active variables. These results suggest that AL-QHD is a useful framework for studying constrained nonconvex optimization with QHD, but that practical ACOPF-scale applications would likely require large-scale fault-tolerant quantum hardware.

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Gate-Level Quantum Simulation of Nonunitary Linear Dynamics with Hybrid Oscillator-Qubit Architecture

We translate the one-mode unitary-dilation framework for nonunitary linear dynamics into a gate-level hybrid oscillator--qubit architecture. An ancillary oscillator encodes the kernel through state preparation and postselection, while a qubit register simulates the discretized system operator. The construction applies to time-independent dynamics $\dot u=-(L+iH)u$, including discretized partial differential equations, and removes the $\mathcal{O}(\log M_a)$ ancilla-qubit overhead of a discrete-variable (DV) $M_a$-term quadrature register. We bound the ideal state's squeezed-Fock coefficient-projection error, which decays superalgebraically in cutoff $N$ for Schwartz-class kernels and at a stretched-exponential rate under stronger joint decay and smoothness assumptions. The finite squeezed-Fock state generically has stellar rank $N-1$, making $N$ a measure of the oracle's non-Gaussian resource. For oscillator dimension $N_{\mathrm{Fock}}$, a $p$th-order product formula reaches error $\epsilon_t$ in $\mathcal{O}(t^{1+1/p}N_{\mathrm{Fock}}^{(p+1)/(2p)}\epsilon_t^{-1/p})$ Trotter steps, up to generator-dependent commutator factors. A perturbation bound separates total scaled-map error from postselection probability. We benchmark Law--Eberly synthesis and assess variational SNAP+$\mathcal D$ state preparation on heat and advection--diffusion equations. At the prescribed DV sizing, the hybrid CV--DV route has smaller fixed-scale error in all ten instances, while the DV route accepts with fewer repetitions in every instance. These results quantify when a continuous qumode can replace a discretized ancilla register.

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QASMTrans: An End-to-End QASM Compilation Framework with Pulse Generation for Near-Term Quantum Devices

QASMTrans is a lightweight, high-performance, C++-based quantum compiler that bridges abstract quantum algorithms to device-level control and is designed for just-in-time (JIT) deployment on QPU testbeds with tightly integrated FPGAs or CPUs. We focus on achieving fast transpilation times on circuits of interest, we find more than 100x faster compilation than Qiskit in some circuits with similar circuit quality, enabling transpilation of large, high-depth circuits in seconds. Unlike existing tools, QASMTrans offers end-to-end device-pulse compilation and direct quantum control integration with QICK, closing the gap between logical circuits and hardware control enabling closed-loop optimization. QASMTrans supports latency-aware Application-tailored Gate Sets (AGS) at the pulse level, identifying high-impact gate sequences on the circuit critical path and synthesizing optimized pulse schedules using pre-defined robust circuit ansatz. Validated through integrated QuTiP pulse-level simulation, this is found to significantly reduce execution latency and can improve final-state fidelity by up to 12% in some tested circuits. QASMTrans further implements device-aware, noise-adaptive transpilation that uses device calibration data for circuit placement on high-quality qubits and can focus on the circuit critical path to reduce transpilation-pass time while maintaining comparable fidelity. Additionally, it introduces circuit space sharing via calibration-aware device partitioning, enabling concurrent execution of multiple circuits or shots on a single QPU. Moreover, QASMTrans is entirely self-contained and has no external library dependencies, making it easy for practical deployment. By combining fast compilation, pulse-level control, and noise-aware optimization, QASMTrans enables real-time adaptive algorithms such as ADAPT-VQE and ADAPT-QAOA.

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Hybrid continuous-discrete-variable quantum computing: a guide to utility

Quantum computing has traditionally centered around the discrete variable paradigm. A new direction is the inclusion of continuous variable modes and the consideration of a hybrid continuous-discrete approach to quantum computing. In this paper, we discuss some of the advantages of this modality, and lay out a number of potential applications that can make use of it; these include applications from physics, chemistry, and computer science. We also briefly overview some of the algorithmic and software considerations for this new paradigm.

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An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

In this paper, we explore using the Harrow-Hassidim-Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing on domains such as power-grid management and climate projection, we demonstrate the correlations of the accuracy of quantum phase estimation, along with various properties of coefficient matrices, on the final solution and quantum resource cost in iterative and non-iterative numerical methods such as the Newton--Raphson method and finite difference method, as well as their impacts on quantum error correction costs using the Microsoft Azure Quantum resource estimator. We summarize the exponential resource cost from quantum phase estimation before and after quantum error correction and illustrate a potential way to reduce the demands on physical qubits. This work lays down a preliminary step for future investigations, urging a closer examination of quantum algorithms' scalability and efficiency in domain applications.

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Coupled Cluster Downfolding Theory in Simulations of Chemical Systems on Quantum Hardware

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to these problems is currently infeasible due to limitations in the number of logical qubits, their fidelity, and the shallow circuit depths supported by existing hardware; all of which hinder simulations at the required level of accuracy. A promising alternative is hybrid quantum-classical computing, where classical resources are used to construct effective Hamiltonians characterized by dimensions that conform to the constraints of current quantum devices. In this paper, we demonstrate the performance of a hybrid approach: coupled-cluster downfolded Hamiltonians are first evaluated in reduced-dimensionality active spaces, and the corresponding ground-state energies are subsequently computed using quantum algorithms. Our comprehensive analysis explores the achievable accuracy in recovering correlation energies when hundreds of orbitals are downfolded into a problem size tractable by today's quantum hardware. We argue that such flexible hybrid algorithms, where problem size can be tailored to available quantum resources, can serve as a bridge between noisy intermediate-scale quantum (NISQ) devices and future fault-tolerant quantum computers, marking a step toward the early realization of quantum advantage in chemistry.

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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.

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Quantum DeepONet: Neural operators accelerated by quantum computing

In the realm of computational science and engineering, constructing models that reflect real-world phenomena requires solving partial differential equations (PDEs) with different conditions. Recent advancements in neural operators, such as deep operator network (DeepONet), which learn mappings between infinite-dimensional function spaces, promise efficient computation of PDE solutions for a new condition in a single forward pass. However, classical DeepONet entails quadratic complexity concerning input dimensions during evaluation. Given the progress in quantum algorithms and hardware, here we propose to utilize quantum computing to accelerate DeepONet evaluations, yielding complexity that is linear in input dimensions. Our proposed quantum DeepONet integrates unary encoding and orthogonal quantum layers. We benchmark our quantum DeepONet using a variety of PDEs, including the antiderivative operator, advection equation, and Burgers' equation. We demonstrate the method's efficacy in both ideal and noisy conditions. Furthermore, we show that our quantum DeepONet can also be informed by physics, minimizing its reliance on extensive data collection. Quantum DeepONet will be particularly advantageous in applications in outer loop problems which require exploring parameter space and solving the corresponding PDEs, such as uncertainty quantification and optimal experimental design.

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Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized eigenvalue problems through the Unitary Coupled Cluster (UCC) excitation generators. Inspired by the generator coordinate method, we employ these UCC excitation generators to construct non-orthogonal, overcomplete many-body bases, projecting the system Hamiltonian into an effective Hamiltonian, which bypasses issues such as barren plateaus that heuristic numerical minimizers often encountered in standard variational quantum eigensolver (VQE). Diverging from conventional quantum subspace expansion methods, we introduce an adaptive scheme that robustly constructs the many-body basis sets from a pool of the UCC excitation generators. This scheme supports the development of a hierarchical ADAPT quantum-classical strategy, enabling a balanced interplay between subspace expansion and ansatz optimization to address complex, strongly correlated quantum chemical systems cost-effectively, setting the stage for more advanced quantum simulations in chemistry.

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Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems

The rapid integration of renewable energy resources presents formidable challenges in managing power grids. While advanced computing and machine learning techniques offer some solutions for accelerating grid modeling and simulation, there remain complex problems that classical computers cannot effectively address. Quantum computing, a promising technology, has the potential to fundamentally transform how we manage power systems, especially in scenarios with a higher proportion of renewable energy sources. One critical aspect is solving large-scale linear systems of equations, crucial for power system applications like power flow analysis, for which the Harrow-Hassidim-Lloyd (HHL) algorithm is a well-known quantum solution. However, HHL quantum circuits often exhibit excessive depth, making them impractical for current Noisy-Intermediate-Scale-Quantum (NISQ) devices. In this paper, we introduce a versatile framework, powered by NWQSim, that bridges the gap between power system applications and quantum linear solvers available in Qiskit. This framework empowers researchers to efficiently explore power system applications using quantum linear solvers. Through innovative gate fusion strategies, reduced circuit depth, and GPU acceleration, our simulator significantly enhances resource efficiency. Power flow case studies have demonstrated up to a eight-fold speedup compared to Qiskit Aer, all while maintaining comparable levels of accuracy.

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TANQ-Sim: Tensorcore Accelerated Noisy Quantum System Simulation via QIR on Perlmutter HPC

Although there have been remarkable advances in quantum computing (QC), it remains crucial to simulate quantum programs using classical large-scale parallel computing systems to validate quantum algorithms, comprehend the impact of noise, and develop resilient quantum applications. This is particularly important for bridging the gap between near-term noisy-intermediate-scale-quantum (NISQ) computing and future fault-tolerant quantum computing (FTQC). Nevertheless, current simulation methods either lack the capability to simulate noise, or simulate with excessive computational costs, or do not scale out effectively. In this paper, we propose TANQ-Sim, a full-scale density matrix based simulator designed to simulate practical deep circuits with both coherent and non-coherent noise. To address the significant computational cost associated with such simulations, we propose a new density-matrix simulation approach that enables TANQ-Sim to leverage the latest double-precision tensorcores (DPTCs) in NVIDIA Ampere and Hopper GPUs. To the best of our knowledge, this is the first application of double-precision tensorcores for non-AI/ML workloads. To optimize performance, we also propose specific gate fusion techniques for density matrix simulation. For scaling, we rely on the advanced GPU-side communication library NVSHMEM and propose effective optimization methods for enhancing communication efficiency. Evaluations on the NERSC Perlmutter supercomputer demonstrate the functionality, performance, and scalability of the simulator. We also present three case studies to showcase the practical usage of TANQ-Sim, including teleportation, entanglement distillation, and Ising simulation. TANQ-Sim will be released on GitHub.

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Design of an entanglement purification protocol selection module

Entanglement purification protocols, designed to improve the fidelity of Bell states over quantum networks for inter-node communications, have attracted significant attention over the last few decades. These protocols have great potential to resolve a core challenge in quantum networking of generating high-fidelity Bell states. However, previous studies focused on the theoretical discussion with limited consideration of realistic errors. Studies of dynamically selecting the right purification protocol under various realistic errors that populate in practice have yet to be performed. In this work, we study the performance of various purification protocols under realistic errors by conducting density matrix simulations over a large suite of error models. Based on our findings of how specific error channels affect the performance of purification protocols, we propose a module that can be embedded in the quantum network. This module determines and selects the appropriate purification protocol, considering not only expected specifications from the network layer but also the capabilities of the physical layer. Finally, the performance of our proposed module is verified using two benchmark categories. Compared with the default approach and exhaustive search approach, we show a success rate approaching 90% in identifying the optimal purification protocol for our target applications.

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AQM: A Refresh of the Abstract Qubit Model for Quantum Computing Co-design

Qubits are the fundamental building blocks of quantum information science and applications, whose concept is widely utilized in both quantum physics and quantum computation. While the significance of qubits and their implementation in physical devices have been extensively examined, now is the right time to revisit this understanding. In this paper, we introduce an abstract qubit model (AQM), offering a mathematical framework for higher-level algorithms and applications, and setting forth criteria for lower-level physical devices to enable quantum computation. We first provide a comprehensive definition of "qubits", regarded as the foundational principle for quantum computing algorithms (bottom-up support), and examine their requisites for devices (top-down demand). We then investigate the feasibility of relaxing specific requirements, thereby broadening device support while considering techniques that tradeoff extra costs to counterbalance this relaxation. Lastly, we delve into the quantum applications that only require partial support of "qubits", and discuss the physical systems with limited support of the AQM but remain valuable in quantum applications. AQM may serve as an intermediate interface between quantum algorithms and devices, facilitating quantum algorithm-device co-design.

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QASMTrans: A QASM based Quantum Transpiler Framework for NISQ Devices

The success of a quantum algorithm hinges on the ability to orchestrate a successful application induction. Detrimental overheads in mapping general quantum circuits to physically implementable routines can be the deciding factor between a successful and erroneous circuit induction. In QASMTrans, we focus on the problem of rapid circuit transpilation. Transpilation plays a crucial role in converting high-level, machine-agnostic circuits into machine-specific circuits constrained by physical topology and supported gate sets. The efficiency of transpilation continues to be a substantial bottleneck, especially when dealing with larger circuits requiring high degrees of inter-qubit interaction. QASMTrans is a high-performance C++ quantum transpiler framework that demonstrates up to 369X speedups compared to the commonly used Qiskit transpiler. We observe speedups on large dense circuits such as uccsd_n24 and qft_n320 which require O(10^6) gates. QASMTrans successfully transpiles the aforementioned circuits in 69s and 31s, whilst Qiskit exceeded an hour of transpilation time. With QASMTrans providing transpiled circuits in a fraction of the time of prior transpilers, potential design space exploration, and heuristic-based transpiler design becomes substantially more tractable. QASMTrans is released at http://github.com/pnnl/qasmtrans.

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Quantum algorithms for generator coordinate methods

This paper discusses quantum algorithms for the generator coordinate method (GCM) that can be used to benchmark molecular systems. The GCM formalism defined by exponential operators with exponents defined through generators of the Fermionic U(N) Lie algebra (Thouless theorem) offers a possibility of probing large sub-spaces using low-depth quantum circuits. In the present studies, we illustrate the performance of the quantum algorithm for constructing a discretized form of the Hill-Wheeler equation for ground and excited state energies. We also generalize the standard GCM formulation to multi-product extension that when collective paths are properly probed, can systematically introduce higher rank effects and provide elementary mechanisms for symmetry purification when generator states break the spatial or spin symmetries. The GCM quantum algorithms also can be viewed as an alternative to existing variational quantum eigensolvers, where multi-step classical optimization algorithms are replaced by a single-step procedure for solving the Hill-Wheeler eigenvalue problem.

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A Bayesian Approach for Characterizing and Mitigating Gate and Measurement Errors

Various noise models have been developed in quantum computing study to describe the propagation and effect of the noise which is caused by imperfect implementation of hardware. Identifying parameters such as gate and readout error rates are critical to these models. We use a Bayesian inference approach to identity posterior distributions of these parameters, such that they can be characterized more elaborately. By characterizing the device errors in this way, we can further improve the accuracy of quantum error mitigation. Experiments conducted on IBM's quantum computing devices suggest that our approach provides better error mitigation performance than existing techniques used by the vendor. Also, our approach outperforms the standard Bayesian inference method in such experiments.

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