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arXiv:2507.10771

A Practical Guide to using Pauli Path Simulators for Utility-Scale Quantum Experiments

Hrant Gharibyan, Siddharth Hariprakash, Mohammed Zuhair Mullath, Vincent Paul Su

Published Jul 14, 2025• 0 citations
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Abstract

In this this paper we present an inexpensive protocol to perform runtime and memory estimation for large-scale experiments with Pauli Path simulators (PPS). Additionally, we propose a conceptually simple solution for studying whether PPS can be used as a scientific discovery tool, rather than reproducing existing answers. We start by analyzing the dynamics of the Pauli coefficients tracked in the Heisenberg picture. In addition to surprisingly generic convergence features of the Pauli coefficient distributions, we find certain regularities that allow for extrapolation of memory and runtime requirements for smaller and smaller coefficient truncation parameter $δ$. We then introduce a framework for understanding convergence in the absence of rigorous error guarantees on PPS. Combined with runtime analysis, we propose bifurcating quantum simulation problems broadly into two classes, based on whether there is apparent convergence of expectation values as a function of $δ$. This serves as a way for practitioners to understand where their problem falls on the frontier of classical simulability. In the case without apparent convergence, PPS may still serve useful as a Monte Carlo-like estimate. Applied to IBM's utility-scale experiments, we show parameter regimes where both behaviors are realized. Some of our key findings challenge conventional intuition: reducing $δ$ does not always improve accuracy, and deeper quantum circuits may actually be easier to simulate than shallower ones. The BlueQubit SDK implementing these methods has been released publicly, offering researchers a comprehensive toolkit for evaluating this frontier classical simulation approach. These results establish practical guidelines for when PPS can serve as a reliable verification tool versus when it should be used as a complementary estimate alongside quantum experiments.

DOI
10.48550/arxiv.2507.10771

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In this this paper we present an inexpensive protocol to perform runtime and memory estimation for large-scale experiments with Pauli Path simulators (PPS). Additionally, we propose a conceptually simple solution for studying whether PPS can be used as a scientific discovery tool, rather than reproducing existing answers. We start by analyzing the dynamics of the Pauli coefficients tracked in the Heisenberg picture. In addition to surprisingly generic convergence features of the Pauli coefficient distributions, we find certain regularities that allow for extrapolation of memory and runtime requirements for smaller and smaller coefficient truncation parameter δδδ. We then introduce a framework for understanding convergence in the absence of rigorous error guarantees on PPS. Combined with runtime analysis, we propose bifurcating quantum simulation problems broadly into two classes, based on whether there is apparent convergence of expectation values as a function of δδδ. This serves as a way for practitioners to understand where their problem falls on the frontier of classical simulability. In the case without apparent convergence, PPS may still serve useful as a Monte Carlo-like estimate. Applied to IBM's utility-scale experiments, we show parameter regimes where both behaviors are realized. Some of our key findings challenge conventional intuition: reducing δδδ does not always improve accuracy, and deeper quantum circuits may actually be easier to simulate than shallower ones. The BlueQubit SDK implementing these methods has been released publicly, offering researchers a comprehensive toolkit for evaluating this frontier classical simulation approach. These results establish practical guidelines for when PPS can serve as a reliable verification tool versus when it should be used as a complementary estimate alongside quantum experiments.
Practitioners increasingly rely on hosted simulation environments, but their performance characteristics remain poorly documented. We present a systematic benchmarking study of GPU-accelerated approximate quantum simulation across two widely used methods: matrix product states (MPS) and Pauli path simulation (PPS), comparing BlueQubit (a hosted tool that handles hardware provisioning, simulator configuration, and job orchestration) against AWS Braket, Quantum Rings, Qiskit pauli-prop, and PauliPropagation (written in Julia). For MPS, we find that GPU runtime yields sub-quadratic scaling with bond dimension, with a growing advantage over CPU at increasing scale. For Pauli path simulation on IBM's 127-qubit kicked Ising benchmark, GPUs deliver up to ∼1,700×{\sim}1{,}700\times∼1,700× speedup at fine truncation thresholds (δ=2.5×10−5δ= 2.5 \times 10^{-5}δ=2.5×10−5, 27.6M Pauli terms), and are the only backends that reach accuracy regimes below δ=10−5δ= 10^{-5}δ=10−5, which remained inaccessible to the commodity CPU-based implementations and self-contained SDKs evaluated here. We also provide a reproducible characterization of these simulators across regimes, including tradeoffs that isolated evaluations do not show. All benchmarking code and configurations are in a public GitHub repository.
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.
Accurately estimating observables on noisy quantum devices remains a central challenge for near-term quantum algorithms. While quantum error mitigation techniques can reduce noise-induced bias, they often rely on unverifiable assumptions about the circuit noise, and cannot guarantee the magnitude of residual bias error. Here, rather than using classical resources to mitigate a noisy quantum circuit execution, we propose a hybrid algorithm that uses quantum resources to improve the accuracy of approximate classical Pauli-path simulation. Our protocol, Quantum Enhanced Pauli Propagation (QuEPP), uses Clifford perturbation theory (CPT) to construct a classically simulable ensemble of Clifford circuits from the low-order terms in CPT, which directly provide the approximate classical Pauli-path simulation of the target circuit. Noisy quantum expectation values of this ensemble are then used to infer a global rescaling factor that corrects quantum execution of the target circuit, providing higher-order contributions absent from the truncated low-order classical simulation. This approach requires no noise characterization, applies to arbitrary circuits, and provides a provable route to asymptotically unbiased estimates. Using IBM Heron hardware, we demonstrate QuEPP on 2D random mirror circuits of up to 49 qubits and circuit depth 80, as well as Trotterized Hamiltonian evolution, showing consistent improvements beyond classical CPT and unmitigated quantum results. QuEPP offers a simple, scalable, and model-free framework for enabling accurate quantum computation in the pre-fault-tolerant era.
The pursuit of quantum advantage is driving the co-evolution of quantum processors and classical simulation methods. Despite advances in scale and quality, the accuracy of quantum simulation is ultimately limited by error rates and sampling overheads. Similarly, while classical simulation methods such as Pauli propagation have made remarkable progress, their accuracy is ultimately limited by the exponential growth of operator paths and the truncations needed to control memory and runtime. Here we show that these complementary limitations can be mitigated by embedding Pauli propagation within a hybrid error-mitigation framework that reduces quantum sampling overhead while achieving lower truncation errors with fewer classical resources than traditional Pauli propagation alone. In this framework, a target observable is classically propagated through noise-canceling inverse channels, producing a modified observable that is measured directly on a quantum processor. We prototype two implementations and benchmark their performance numerically on canonical models that challenge traditional Pauli propagation. We also perform experiments on a quantum processor using 56 superconducting qubits, revealing the tradeoffs of their respective truncation strategies. These results illustrate how classical and quantum resources can be orchestrated to extend observable estimation beyond the limits of either approach alone, providing a foundation for quantum-centric supercomputing and future demonstrations of quantum advantage.
Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However, current quantum algorithms for Hamiltonian simulation yield results that are inadequate for real use cases and suffer from lengthy execution times when implemented on near-term quantum hardware. In this work, we introduce a framework for evaluating the performance of quantum simulation algorithms, focusing on the computation of observables, such as energy expectation values. Our framework provides end-to-end demonstrations of algorithmic optimizations that utilize Pauli term groups based onkkk-commutativity, generate customized Clifford measurement circuits, and implement weighted shot distribution strategies across these groups. These demonstrations span multiple quantum execution environments, allowing us to identify critical factors influencing runtime and solution accuracy. We integrate enhancements into the QED-C Application-Oriented Benchmark suite, utilizing problem instances from the opensource HamLib collection. Our results demonstrate a27.1%\mathbf{2 7. 1} \boldsymbol{\%}27.1%error reduction through Pauli grouping methods, with an additional 37.6% improvement from the optimized shot distribution strategy. Our framework provides an essential tool for advancing quantum simulation performance using algorithmic optimization techniques, enabling systematic evaluation of improvements that could maximize near-term quantum computers’ capabilities and advance practical quantum utility as hardware evolves.
Large-scale variational quantum algorithms are widely recognized as a potential pathway to achieve practical quantum advantages. However, the presence of quantum noise might suppress and undermine these advantages, which blurs the boundaries of classical simulability. To gain further clarity on this matter, we present a novel polynomial-scale method based on the path integral of observable's backpropagation on Pauli paths (OBPPP). This method efficiently approximates expectation values of operators in variational quantum algorithms with bounded truncation error in the presence of single-qubit Pauli noise. Theoretically, we rigorously prove: (i) For a constant minimal nonzero noise rate γ, OBPPP's time and space complexity exhibit a polynomial relationship with the number of qubits n, the circuit depth L. (ii) For variable γ, in scenarios where more than two nonzero noise factors exist, the complexity remains Poly(n,L) if γ exceeds 1/logL, but grows exponential with L when γ falls below 1/L. Numerically, we conduct classical simulations of IBM's zero-noise extrapolated experimental results on the 127-qubit Eagle processor [Y. Kim et al., Evidence for the utility of quantum computing before fault tolerance, Nature (London) 618, 500 (2023).NATUAS0028-083610.1038/s41586-023-06096-3]. Our method attains higher accuracy and faster runtime compared to the quantum device. Furthermore, our approach allows us to simulate noisy outcomes, enabling accurate reproduction of IBM's unmitigated results that directly correspond to raw experimental observations. Our research reveals the vital role of noise in classical simulations and the derived method is general in computing the expected value for a broad class of quantum circuits and can be applied in the verification of quantum computers.