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IEEE International Conference on Quantum Artificial Intelligence (QAI)

Approximating Ground States of Quantum Hamiltonians with Snapshot-QAOA

Reuben Tate, Quinn Langfitt, Elijah Pelofske, Ammar A. Kirmani, Andreas Bärtschi, John K. Golden, Stephan Eidenbenz

Published Nov 2, 2025• 0 citations
Publisher

Abstract

Abstract We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms). Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems --- Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Such ground-state finding is a common challenge in quantum chemistry and material science applications. Snapshot-QAOA retains desirable variational-algorithm qualities of QAOA, in particular small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the (Near Intermediate-Scale Quantum) NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the (Quantum Error Corrected) QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule, which for sufficiently large QAOA depth gives very good performance. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. As a test case, we simulate Snapshot-QAOA on a particular 16 qubit 2D J1-J2 frustrated square transverse field Ising model with periodic boundary conditions.

DOI
10.1109/qai63978.2025.00035

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Abstract We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms). Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems --- Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Such ground-state finding is a common challenge in quantum chemistry and material science applications. Snapshot-QAOA retains desirable variational-algorithm qualities of QAOA, in particular small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the (Near Intermediate-Scale Quantum) NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the (Quantum Error Corrected) QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule, which for sufficiently large QAOA depth gives very good performance. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. As a test case, we simulate Snapshot-QAOA on a particular 16 qubit 2D J1-J2 frustrated square transverse field Ising model with periodic boundary conditions.
We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms). Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems; Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Such ground-state finding is a common challenge in quantum chemistry and material science applications. Snapshot-QAOA retains desirable variational-algorithm qualities of QAOA, in particular small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule, which for sufficiently large QAOA depth gives very good performance. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. As a test case, we simulate Snapshot-QAOA on a 16 qubit J1-J2 frustrated square transverse field Ising model with periodic boundary conditions.
Abstract We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians. Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems. Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Snapshot-QAOA retains the desirable variational-algorithm qualities of QAOA such as a small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the (Near Intermediate-Scale Quantum) NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the (Quantum Error Corrected) QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. In this way, the cost of the quantum Hamiltonian is encoded by the phase separator to address the diagonal terms in the problem Hamiltonian and by the mixer to address the non-diagonal terms in the problem Hamiltonian. We focus on QAOA with the transverse field mixer, and thus simulations of quantum Hamiltonians that contain single-site Pauli-X terms. By measuring the expectation value of the system in both X and Z-basis, we can estimate the ground-state energy of transverse field quantum Hamiltonians. The accuracy of ground-state energy finding with snapshot-QAOA is evaluated using extensive numerical simulations on a 16 qubit J1-J2 frustrated transverse field Ising model.
Determining Hamiltonian ground states and energies is a challenging task with many possible approaches on quantum computers. While variational quantum eigensolvers are popular approaches for near term hardware, adiabatic state preparation is an alternative that does not require noisy optimization of parameters. Beyond adiabatic schedules, QAOA is an important method for optimization problems. In this work we modify QAOA to apply to finding ground states of molecules and empirically evaluate the modified algorithm on several molecules. This modification applies physical insights used in classical approximations to construct suitable QAOA operators and initial state. We find robust qualitative behavior for QAOA as a function of the number of steps and size of the parameters, and demonstrate this behavior also occurs in standard QAOA applied to combinatorial search. To this end we introduce QAOA phase diagrams that capture its performance and properties in various limits. In particular we show a region in which non-adiabatic schedules perform better than the adiabatic limit while employing lower quantum circuit depth. We further provide evidence our results and insights also apply to QAOA applications beyond chemistry.
Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an approach to simulate dissipative non-Hermitian Hamiltonian quantum dynamics using Hamiltonian simulation techniques to efficiently recover the ground state of a target Hamiltonian. The proposed method facilitates the energy transfer by repeatedly projecting ancilla qubits to the desired state, rendering the effective non-Hermitian Hamiltonian evolution on the system qubits. To make the method more resource friendly in the noisy intermediate-scale quantum (NISQ) and early fault-tolerant era, we combine the non-Hermitian projection algorithm with multiple variational gadgets, including variational module enhancement and variational state recording, to reduce the required circuit depth and avoid the exponentially vanishing success probability for postselections. We compare our method, the non-Hermitian-variational algorithm, with a pure variational method, the quantum approximate optimization algorithm (QAOA), for solving the 3-SAT problem and preparing the ground state for the transverse field Ising model. As demonstrated by numerical evidence, the non-Hermitian-variational algorithm outperforms QAOA in convergence speed with improved quantum resource efficiency.
We introduce a novel quantum optimization paradigm: the Fixed-Parameter-Count Quantum Approximate Optimization Algorithm (FPC-QAOA). It is a scalable variational framework that maintains a constant number of trainable parameters regardless of the number of qubits, Hamiltonian complexity, or circuit depth. By separating schedule function optimization from circuit digitization, FPC-QAOA enables accurate schedule approximations with minimal parameters while supporting arbitrarily deep digitized adiabatic evolutions, constrained only by NISQ hardware capabilities. This separation allows depth to scale without expanding the classical search space, mitigating overparameterization and optimization challenges typical of deep QAOA circuits, such as barren plateaus-like behaviors. We benchmark FPC-QAOA on random MaxCut instances and the Tail Assignment Problem, achieving performance comparable to or better than standard QAOA with nearly constant classical effort and significantly fewer quantum circuit evaluations. Experiments on the IBM Kingston superconducting processor with up to 50 qubits confirm robustness and hardware efficiency under realistic noise. These results position FPC-QAOA as a practical and scalable paradigm for variational quantum optimization on near-term quantum devices.
The Quantum Approximate Optimization Algorithm (QAOA) and its variants are leading algorithms to help solve challenging combinatorial optimization problems. QAOA maps these problems to Ising Hamiltonians such that their ground state is the desired solution. Candidate solutions are then drawn from a variational quantum circuit. The performance of QAOA hinges on a set of variational angles. However, finding good angles is an instance-specific and computationally expensive non-convex classical optimization task. Here, we learn the mapping from the problem instance to high-quality QAOA angles. Our learned models replace the per-instance optimization, that we call the solver, with a single forward pass that is several orders of magnitude faster than the solver with a near identical quality. Our models further generalize to unseen topologies such as Barabási-Albert and 2D grid graphs. Experiments on quantum hardware confirm that QAOA samples with angles produced by our open-source models are indistinguishable from solver angles. Crucially, models sensitive to the topology of the problem instance increase the quality of the QAOA angles. Our work amortizes a major bottleneck in QAOA by an up-front data generation and training cost. Importantly, this cost can be amortized over time in settings where many similar problems are optimized on a regular basis, as is often the case in applications for industry.