Generative Hamiltonian Simulation

Osama M. Raisuddin, Suvranu De

Efekan Kökcü, Thomas Steckmann, Yan Wang +3 more

Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize limited quantum resources remains an open problem. We tackle this problem by presenting a constructive algorithm, based on Cartan decomposition of the Lie algebra generated by the Hamiltonian, which generates quantum circuits with time-independent depth. We highlight our algorithm for special classes of models, including Anderson localization in one-dimensional transverse field XY model, where O(n^{2})-gate circuits naturally emerge. Compared to product formulas with significantly larger gate counts, our algorithm drastically improves simulation precision. In addition to providing exact circuits for a broad set of spin and fermionic models, our algorithm provides broad analytic and numerical insight into optimal Hamiltonian simulations.

Brendan K. Krueger, Stephan Eidenbenz, Shamminuj Aktar +8 more

We present the Quantum Hamiltonian Analysis Toolkit (QHAT), a newly developed application that provides a user-friendly interface for studying Hamiltonians and performing Hamiltonian simulation on fault-tolerant quantum computers. QHAT enables the generation and analysis of Hamiltonians through a powerful and feature-rich application, driven by simple inputs designed to reflect user needs rather than algorithmic details, so that productive research on your application of interest can be done without needing a deep understanding of quantum computing algorithms. QHAT enables a streamlined workflow to analyze Hamiltonians and Hamiltonian simulation, supporting multiple choices of algorithms and analyses. It supports Hamiltonians from multiple sources but can also generate Hamiltonians based on a simple description of the system, saving intermediate data files for re-use when generating related Hamiltonians. Deriving the parameters for quantum computing algorithms can be a challenge, so QHAT is built around user-facing concepts such as maximum allowable error, rather than being built around algorithmic details such as steps counts or order parameters. An emphasis on user-friendly interfaces and efficient analysis means that the barrier to entry is low while rapidly providing results useful for a broad scope of studies.

Hayata Morisaki, Keisuke Fujii

Hamiltonian simulation is a central application of quantum computing. Randomized Hamiltonian simulation approximates the target dynamics by sampling quantum circuits and often allows simpler circuit implementations. We develop a framework for randomized Hamiltonian simulation in which Hamiltonian terms are sampled with arbitrary probabilities and the corresponding short-time evolutions are implemented sequentially. The leading channel error relative to ideal time evolution is governed by the variance of the sampled generators. Minimizing the variance-based upper bound on the worst-case error recovers qDRIFT, a leading randomized Hamiltonian simulation algorithm that samples terms in proportion to their operator norms. For typical input states, however, this sampling distribution need not be optimal. Minimizing Haar-averaged error bounds instead yields sampling probabilities proportional to the Hilbert-Schmidt norms of the terms. This choice can provide smaller average-error bounds than conventional qDRIFT. For Hamiltonians expressed as sums of Pauli strings, we combine this framework with commuting Pauli grouping to obtain smaller error bounds than conventional qDRIFT at fixed $R_z$ depth. Numerical benchmarks for the Sachdev-Ye-Kitaev model show error-bound improvement factors consistent with linear scaling in the number of qubits. For the 108-qubit FeMoco Hamiltonian, the error bounds are reduced by a factor of about 5.65. These results establish average-error optimization as a practical design principle for randomized Hamiltonian simulation.

Chi Zhang

Abhijit Chakraborty, Bharath Sambasivam, Karunya Shirali +4 more

We propose an efficient algorithm based on shadow Hamiltonian simulation to approximately simulate the real-time dynamics of observables under time-independent Hamiltonians. Shadow Hamiltonian simulation works at the level of the operator algebra generated by the observables through commutators with the Hamiltonian. Exactly encoding the quantum state in this picture is generally inefficient for interacting systems due to the exponential growth of the operator algebra. Our algorithm overcomes this bottleneck by systematically identifying the elements of the algebra most relevant to the target observables. This targeted approach is a controlled approximation that yields a highly efficient quantum state encoding that substantially reduces the size of the qubit register required to perform the time evolution using the shadow Hamiltonian. We propose two main pruning schemes, one based on a predefined operator basis and another on a constructed Krylov basis. We also present a hybrid scheme that builds a Krylov basis within a pruned algebra in the predefined basis. We benchmark our algorithm using lattice spin systems in one and two dimensions, for both one- and higher-point correlators as observables.