arXiv subjects

Norm Tubman

Publications and source records attributed to Norm Tubman.

9 recordsLinked to original sources

arXiv2026

Performance Model for Hybrid Quantum-Classical Workflows

Hybrid quantum-classical workflows are expected to underpin practical quantum computing applications, yet the quantum and HPC communities lack a shared framework for reasoning about where and when their integration requirements matter most. Such a framework must separate two distinct levels of analysis: the application level, where communication overhead affects runtime performance, and the real-time level, where it determines feasibility. To address this, we introduce a runtime model that decomposes workflow execution into quantum compute, classical compute, and communication costs. At the application level, a communication-to-computation ratio from this decomposition quantifies whether a workflow is communication-bound or compute-bound; at the real-time level, a feasibility constraint determines whether timing requirements can be met at all, with the reaction time setting the logical clock speed of fault-tolerant computation once they are. Application of this model to representative workflows demonstrates that co-location of quantum processors with HPC infrastructure offers negligible performance benefit for compute-intensive applications today, while tight integration remains crucial for real-time tasks such as quantum error correction needed for large scale quantum computations. However, we discuss how even at the application level these assessments may shift with hardware evolution, illustrating how the model can identify specific crossover conditions, and how, under fault tolerance, the reaction time can set application-level performance.

quant-ph↗

arXiv2024

Classical Benchmarks for Variational Quantum Eigensolver Simulations of the Hubbard Model

Simulating the Hubbard model is of great interest to a wide range of applications within condensed matter physics, however its solution on classical computers remains challenging in dimensions larger than one. The relative simplicity of this model, embodied by the sparseness of the Hamiltonian matrix, allows for its efficient implementation on quantum computers, and for its approximate solution using variational algorithms such as the variational quantum eigensolver. While these algorithms have been shown to reproduce the qualitative features of the Hubbard model, their quantitative accuracy in terms of producing true ground state energies and other properties, and the dependence of this accuracy on the system size and interaction strength, the choice of variational ansatz, and the degree of spatial inhomogeneity in the model, remains unknown. Here we present a rigorous classical benchmarking study, demonstrating the potential impact of these factors on the accuracy of the variational solution of the Hubbard model on quantum hardware, for systems with up to $32$ qubits. We find that even when using the most accurate wavefunction ans\"{a}tze for the Hubbard model, the error in its ground state energy and wavefunction plateaus for larger lattices, while stronger electronic correlations magnify this issue. Concurrently, spatially inhomogeneous parameters and the presence of off-site Coulomb interactions only have a small effect on the accuracy of the computed ground state energies. Our study highlights the capabilities and limitations of current approaches for solving the Hubbard model on quantum hardware, and we discuss potential future avenues of research.

quant-ph↗

arXiv2023

HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum computation, where a large collection of real-world problem instances would allow for benchmarking studies that in turn help to improve both algorithms and hardware designs. To this end, here we present a large dataset of qubit-based quantum Hamiltonians. The dataset, called HamLib (for Hamiltonian Library), is freely available online and contains problem sizes ranging from 2 to 1000 qubits. HamLib includes problem instances of the Heisenberg model, Fermi-Hubbard model, Bose-Hubbard model, molecular electronic structure, molecular vibrational structure, MaxCut, Max-$k$-SAT, Max-$k$-Cut, QMaxCut, and the traveling salesperson problem. The goals of this effort are (a) to save researchers time by eliminating the need to prepare problem instances and map them to qubit representations, (b) to allow for more thorough tests of new algorithms and hardware, and (c) to allow for reproducibility and standardization across research studies.

quant-ph↗

arXiv2022

A Parameter Setting Heuristic for the Quantum Alternating Operator Ansatz

Parameterized quantum circuits are widely studied approaches for tackling optimization problems. A prominent example is the Quantum Alternating Operator Ansatz (QAOA), an approach that builds off the structure of the Quantum Approximate Optimization Algorithm. Finding high-quality parameters efficiently for QAOA remains a major challenge in practice. In this work, we introduce a classical strategy for parameter setting, suitable for common cases in which the number of distinct cost values grows only polynomially with the problem size. The crux of our strategy is that we replace the cost function expectation value step of QAOA with a parameterized model that can be efficiently evaluated classically. This model is based on empirical observations that QAOA states have large overlaps with states where variable configurations with the same cost have the same amplitude, which we define as Perfect Homogeneity. We thus define a Classical Homogeneous Proxy for QAOA in which Perfect Homogeneity holds exactly, and which yields information describing both states and expectation values. We classically determine high-quality parameters for this proxy, and use these parameters in QAOA, an approach we label the Homogeneous Heuristic for Parameter Setting. We numerically examine this heuristic for MaxCut on random graphs. For up to $3$ QAOA levels we are easily able to find parameters that match approximation ratios returned by previous globally optimized approaches. For levels up to $20$ we obtain parameters with approximation ratios monotonically increasing with depth, while a strategy that uses parameter transfer instead fails to converge with comparable classical resources. These results suggest that our heuristic may find good parameters in regimes that are intractable with noisy intermediate-scale quantum devices. Finally, we outline how our heuristic may be applied to wider classes of problems.

quant-ph↗

arXiv2020

Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation

We introduce a nested optimization procedure using semi-definite relaxation for the fitting step in Hamiltonian-based cluster dynamical mean-field theory (DMFT) methodologies. We show that the proposed method is more efficient and flexible than state-of-the-art fitting schemes, which allows us to treat as large a number of bath sites as the impurity solver at hand allows. We characterize its robustness to initial conditions and symmetry constraints, thus providing conclusive evidence that in the presence of a large bath, our semi-definite relaxation approach can find the correct set of bath parameters without needing to include \emph{a priori} knowledge of the properties that are to be described. We believe this method will be of great use for Hamiltonian-based calculations, simplifying and improving one of the key steps in cluster dynamical mean-field theory calculations.

cond-mat.str-el↗

arXiv2016

Entanglement structure of non-equilibrium steady states

We study the problem of calculating transport properties of interacting quantum systems, specifically electrical and thermal conductivities, by computing the non-equilibrium steady state (NESS) of the system biased by contacts. Our approach is based on the structure of entanglement in the NESS. With reasonable physical assumptions, we show that a NESS close to local equilibrium is lightly entangled and can be represented via a computationally efficient tensor network. We further argue that the NESS may be found by dynamically evolving the system within a manifold of appropriate low entanglement states. A physically realistic law of dynamical evolution is Markovian open system dynamics, or the Lindblad equation. We explore this approach in a well-studied free fermion model where comparisons with the literature are possible. We study both electrical and thermal currents with and without disorder, and compute entropic quantities such as mutual information and conditional mutual information. We conclude with a discussion of the prospects of this approach for the challenging problem of transport in strongly interacting systems, especially those with disorder.

cond-mat.str-el↗

arXiv2016

Interpolated wave functions for nonadiabatic simulations with the fixed-node quantum Monte Carlo method

Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and improved theoretical understanding of properties unique to electron-ion wave functions. Fixed-node diffusion Monte Caro is one technique that has shown promising results for simulating electron-ion systems. In particular, we focus on the CH molecule for which previous results suggested a relatively significant contribution to the energy from nonadiabatic effects. We propose a new wave function ansatz for diatomic systems which involves interpolating the determinant coefficients calculated from configuration interaction methods. We find this to be an improvement beyond previous wave function forms that have been considered. The calculated nonadiabatic contribution to the energy in the CH molecule is reduced compared to our previous results, but still remains the largest among the molecules under consideration.

physics.chem-ph↗

arXiv2016

Heat-bath Configuration Interaction: An efficient selected CI algorithm inspired by heat-bath sampling

We introduce a new selected configuration interaction plus perturbation theory algorithm that is based on a deterministic analog of our recent efficient heat-bath sampling algorithm. This Heat-bath Configuration Interaction (HCI) algorithm makes use of two parameters that control the tradeoff between speed and accuracy, one which controls the selection of determinants to add to a variational wavefunction, and one which controls the the selection of determinants used to compute the perturbative correction to the variational energy. We show that HCI provides an accurate treatment of both static and dynamic correlation by computing the potential energy curve of the multireference carbon dimer in the cc-pVDZ basis. We then demonstrate the speed and accuracy of HCI by recovering the full configuration interaction energy of both the carbon dimer in the cc-pVTZ basis and the strongly-correlated chromium dimer in the Ahlrichs VDZ basis, correlating all electrons, to an accuracy of better than 1 mHa, in just a few minutes on a single core. These systems have full variational spaces of 3x10^14 and 2x10^22 determinants respectively.

physics.chem-ph↗

arXiv2015

How Large are Nonadiabatic Effects in Atomic and Diatomic Systems?

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to be nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.

physics.chem-ph↗