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DOE OSTI · 2502144

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

Sawaya, Nicolas P. D. [Azulene Labs, San Francisco, CA (United States); Intel Labs, Santa Clara, CA (United States)]·Marti-Dafcik, Daniel [Univ. of Oxford (United Kingdom). Clarendon Lab.]·Ho, Yang [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]·Tabor, Daniel P. [Texas A & M Univ., College Station, TX (United States)]·Neira, David Bernal [Ames Research Center, Moffett Field, CA (United States); Universities Space Research Association, Mountain View, CA (United States); Purdue Univ., West Lafayette, IN (United States)]·Magann, Alicia B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]·Premaratne, Shavindra [Intel Labs, Hillsboro, OR (United States)]·Dubey, Pradeep [Intel Labs, Santa Clara, CA (United States)]·Matsuura, Anne [Intel Labs, Hillsboro, OR (United States)]·Bishop, Nathan [Intel Corporation, Hillsboro, OR (United States)]·Jong, Wibe de [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]·Benjamin, Simon [Univ. of Oxford (United Kingdom)]·Parekh, Ojas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]·Tubman, Norm [Ames Research Center, Moffett Field, CA (United States)]·Klymko, Katherine [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)]·Camps, Daan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)]
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Abstract

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.

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97 MATHEMATICS AND COMPUTING

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Sawaya, Nicolas P. D. [Azulene Labs, San Francisco, CA (United States); Intel Labs, Santa Clara, CA (United States)], Marti-Dafcik, Daniel [Univ. of Oxford (United Kingdom). Clarendon Lab.], Ho, Yang [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)], Tabor, Daniel P. [Texas A & M Univ., College Station, TX (United States)], Neira, David Bernal [Ames Research Center, Moffett Field, CA (United States); Universities Space Research Association, Mountain View, CA (United States); Purdue Univ., West Lafayette, IN (United States)], Magann, Alicia B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)], Premaratne, Shavindra [Intel Labs, Hillsboro, OR (United States)], Dubey, Pradeep [Intel Labs, Santa Clara, CA (United States)], Matsuura, Anne [Intel Labs, Hillsboro, OR (United States)], Bishop, Nathan [Intel Corporation, Hillsboro, OR (United States)], Jong, Wibe de [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)], Benjamin, Simon [Univ. of Oxford (United Kingdom)], Parekh, Ojas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)], Tubman, Norm [Ames Research Center, Moffett Field, CA (United States)], Klymko, Katherine [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)], Camps, Daan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)]. 2024-12-11. HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware. https://doi.org/10.22331/q-2024-12-11-1559

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