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arXiv:2303.02775 · Proceedings of the ACM on Programming Languages

SimuQ: A Framework for Programming Quantum Hamiltonian Simulation with Analog Compilation

Yuxiang Peng, Jacob Young, Pengyu Liu, Xiaodi Wu

Published Jan 2, 2024• 15 citations
arXivHTMLPDF

Abstract

Quantum Hamiltonian simulation, which simulates the evolution of quantum systems and probes quantum phenomena, is one of the most promising applications of quantum computing. Recent experimental results suggest that Hamiltonian-oriented analog quantum simulation would be advantageous over circuit-oriented digital quantum simulation in the Noisy Intermediate-Scale Quantum (NISQ) machine era. However, programming analog quantum simulators is much more challenging due to the lack of a unified interface between hardware and software. In this paper, we design and implement SimuQ, the first framework for quantum Hamiltonian simulation that supports Hamiltonian programming and pulse-level compilation to heterogeneous analog quantum simulators. Specifically, in SimuQ, front-end users specify the target quantum system with Hamiltonian Modeling Language, and the Hamiltonian-level programmability of analog quantum simulators is specified through a new abstraction called the abstract analog instruction set (AAIS) and programmed in AAIS Specification Language by hardware providers. Through a solver-based compilation, SimuQ generates executable pulse schedules for real devices to simulate the evolution of desired quantum systems, which is demonstrated on superconducting (IBM), neutral-atom (QuEra), and trapped-ion (IonQ) quantum devices. Moreover, we demonstrate the advantages of exposing the Hamiltonian-level programmability of devices with native operations or interaction-based gates and establish a small benchmark of quantum simulation to evaluate SimuQ’s compiler with the above analog quantum simulators.

DOI
10.1145/3632923

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Quantum Hamiltonian simulation, which simulates the evolution of quantum systems and probes quantum phenomena, is one of the most promising applications of quantum computing. Recent experimental results suggest that Hamiltonian-oriented analog quantum simulation would be advantageous over circuit-oriented digital quantum simulation in the Noisy Intermediate-Scale Quantum (NISQ) machine era. However, programming analog quantum simulators is much more challenging due to the lack of a unified interface between hardware and software. In this paper, we design and implement SimuQ, the first framework for quantum Hamiltonian simulation that supports Hamiltonian programming and pulse-level compilation to heterogeneous analog quantum simulators. Specifically, in SimuQ, front-end users specify the target quantum system with Hamiltonian Modeling Language, and the Hamiltonian-level programmability of analog quantum simulators is specified through a new abstraction called the abstract analog instruction set (AAIS) and programmed in AAIS Specification Language by hardware providers. Through a solver-based compilation, SimuQ generates executable pulse schedules for real devices to simulate the evolution of desired quantum systems, which is demonstrated on superconducting (IBM), neutral-atom (QuEra), and trapped-ion (IonQ) quantum devices. Moreover, we demonstrate the advantages of exposing the Hamiltonian-level programmability of devices with native operations or interaction-based gates and establish a small benchmark of quantum simulation to evaluate SimuQ’s compiler with the above analog quantum simulators.
Noisy gate-model quantum processing units (QPUs) are currently available from vendors over the cloud, and digital quantum programming approaches exist to run low-depth circuits on physical hardware. These digital representations are ultimately lowered to pulse-level instructions by vendor quantum control systems to affect unitary evolution representative of the submitted digital circuit. Vendors are beginning to open this pulse-level control system to the public via specified interfaces. Robust programming methodologies, software frameworks, and backend simulation technologies for this analog model of quantum computation will prove critical to advancing pulse-level control research and development. Prototypical use cases for this include error mitigation, optimal pulse control, and physics-inspired pulse construction. Here we present an extension to the XACC quantum-classical software framework that enables pulse-level programming for superconducting, gate-model quantum computers, and a novel, general, and extensible pulse-level simulation backend for XACC that scales on classical compute clusters via MPI. Our work enables custom backend Hamiltonian definitions and gate-level compilation to available pulses with a focus on performance and scalability. We end with a demonstration of this capability, and show how to use XACC for pertinent pulse-level programming tasks.
Quantum simulations are designed to model quantum systems, and many compilation frameworks have been developed for executing such simulations on quantum computers. Most compilers leverage the capabilities of digital and analog quantum computers by representing quantum particle systems with Pauli strings or digital quantum circuits, making it challenging for users in physics, chemistry, and biology to program simulations effectively. QBLUE is proposed as the first programming language for describing the behaviors of quantum systems in terms of second quantization Hamiltonians. Within QBLUE, a novel type system is proposed to clearly define states across different quantum systems and treat quantum computers as quantum particle systems of specific types. The type system is compatible with the compilation of quantum simulations expressed in QBLUE for digital and analog quantum computers. With QBLUE, users can specify the desired quantum particle system and model the system on quantum computers.
Analog quantum simulators emulate complex many-body dynamics through native continuous-time evolution under hardware-defined interactions. Yet once a platform is specified, its interaction structure is largely fixed by the underlying hardware, restricting the Hamiltonians that can be realized and limiting programmability. Here we introduce universal analog quantum simulation (UAQS), a hybrid framework that systematically expands the range of accessible quantum evolutions within a given analog platform. UAQS employs optimized continuous-time control fields to engineer target dynamics directly, avoiding decomposition into discrete gate sequences. By preserving native analog evolution while extending the set of achievable Hamiltonians, UAQS transforms fixed-interaction analog devices into programmable simulators. Numerical studies on representative architectures, including superconducting circuits and Rydberg-atom arrays, show that UAQS accurately reproduces non-trivial many-body dynamics beyond the intrinsic interaction structure of the hardware. These results establish UAQS as a practical route toward programmable analog quantum simulation.
Quantum computers hold the promise of solving certain computational problems significantly faster than classical computers. Unlocking the full potential of quantum hardware depends on our ability to efficiently translate high-level quantum algorithms into executable sequences of quantum operations tailored to the specific constraints of a given device, a task known as quantum compilation. Among the most promising applications is the simulation of quantum systems, such as in quantum chemistry, where scalable, error resilient, and experimentally feasible Hamiltonian simulation techniques are essential. In the first part of this thesis, we present recent advances in the field of quantum compilation, emphasizing on efficient gate decomposition and circuit optimization. In particular, we analyze compilation techniques for Clifford circuits and general single-qubit rotations. Clifford operations play a central role in quantum error correction, the characterization of quantum devices and quantum cryptography. We explore asymptotically optimal decomposition methods, including constructions using either two-qubit gates or global entangling operations, the latter being especially well-suited for platforms like trapped ions. For single-qubit unitaries, we discuss approximation schemes that achieve the theoretically optimal scaling of gate count with respect to the desired precision. Beyond gate synthesis, we examine various hardware-aware optimization strategies aimed at reducing circuit depth and gate overhead. These include techniques for qubit routing in systems with limited connectivity, as well as methods for removing redundant operations. The second and primary, scientific contribution of this thesis focuses on implementation of effective many-body interactions on quantum hardware by combining the system’s native dynamics with control operations, which we call Hamiltonian engineering. Motivated by the central role of Hamiltonian simulation in quantum science, we introduce a general and efficient framework for synthesizing arbitrary target Hamiltonians under mild locality constraints. We propose a novel linear programming (LP) approach that computes pulse sequences consisting of single-qubit π or π/2 rotations applied at certain times during free evolution under the system’s native Hamiltonian. Our LP-based framework offers multiple advantages. First, its classical runtime depends only on the number and locality of the interactions in the system Hamiltonian, not directly on the overall system size. Second, we extend the method to include robustness against common error sources such as finite pulse time effects and systematic control errors, leveraging tools from average Hamiltonian theory and robust composite pulses. Our approach enables the efficient realization of high-fidelity Hamiltonian dynamics with minimal experimental overhead. The scalability of the approach are demonstrated through simulations, including the engineering of a random two-body Hamiltonian on a 225 qubit lattice in under a minute of classical preprocessing. In conclusion, this thesis contributes both theoretical insights and practical tools that bridge the gap between algorithm design and experimental implementation in quantum computing. The techniques developed here are directly applicable to a variety of platforms, including trapped ions, neutral atoms, and superconducting circuits. By advancing the frontiers of Hamiltonian engineering, this work enables more efficient, robust, and scalable quantum simulations on nearterm devices. Finally, it brings us closer to realizing quantum technologies, which are possibly capable of solving meaningful problems.
This work presents QiliSim, the native C++ simulation backend of QiliSDK, an open-source Python framework for digital and analog quantum computing. QiliSim supports quantum circuits, Hamiltonian time evolution, and analog-digital quantum reservoirs through a common interface, allowing users to test quantum algorithms before executing them on quantum hardware. The simulator provides statevector and density-matrix methods for digital workloads, alongside fixed-step and adaptive Runge–Kutta integrators, Krylov-subspace methods, and direct matrix exponentiation for analog evolution. Monte Carlo trajectories, mid-circuit measurements, and Kraus and Lindbladian noise models support the simulation of noisy quantum systems. Numerical methods and execution settings are selected through structured configuration objects, allowing the same quantum program to run with different simulation strategies without modifying its definition. The poster includes a circuit simulation example and performance comparisons for digital circuit sampling and quantum annealing. The reported benchmarks show competitive CPU performance against Qiskit Aer and Cirq for small to medium circuits, and faster execution than QuTiP and CUDA-Q dynamics for the tested annealing task at a target fidelity of 99%.
Abstract. Quantum simulation is a promising near term application for quantum information processors with the potential to solve computationally intractable problems using just a few dozen interacting qubits [1, 2, 3]. A range of experimental platforms have recently demonstrated the basic functionality of quantum simulation applied to quantum magnetism, quantum phase transitions, and relativistic quantum mechanics [4, 5, 6, 7, 8, 9, 10, 11]. However, in all cases, the physics of the underlying hardware restricts the achievable inter-particle interactions and forms a serious constraint on the versatility of the simulators. To broaden the scope of these analog devices, we develop a suite of pulse sequences that permit a user to efficiently realize average Hamiltonians that are beyond the native interactions of the system [12, 13]. Specifically, this approach permits the generation of all symmetrically coupled translation-invariant two-body Hamiltonians with homogeneous on-site terms, a class which includes all spin-1/2 XYZ chains, but generalized to include long-range couplings. Our work builds on previous work proving that universal simulation is possible using both entangling gates and single-qubit unitaries [14, 15, 16]. We show that determining the appropriate “program ” of unitary pulse sequences which implements an arbitrary Hamiltonian transformation can be formulated as a linear program over functions defined by those pulse sequences, running in polynomial time and scaling efficiently in hardware resources. Our analysis extends from circuit model quantum information to adiabatic quantum evolutions, representing an important and broad-based success in applying functional analysis to the field of quantum information. ar X iv