Exact and efficient Lanczos method on a quantum computer

William Kirby1,2, Mario Motta3, and Antonio Mezzacapo4

1IBM Quantum, IBM Research Cambridge, Cambridge, MA 02142, USA
2Department of Physics and Astronomy, Tufts University, Medford, MA 02155, USA
3IBM Quantum, IBM Research Almaden, San Jose, CA 95120, USA
4IBM Quantum, T. J. Watson Research Center, Yorktown Heights, NY 10598, USA

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Abstract

We present an algorithm that uses block encoding on a quantum computer to exactly construct a Krylov space, which can be used as the basis for the Lanczos method to estimate extremal eigenvalues of Hamiltonians. While the classical Lanczos method has exponential cost in the system size to represent the Krylov states for quantum systems, our efficient quantum algorithm achieves this in polynomial time and memory. The construction presented is exact in the sense that the resulting Krylov space is identical to that of the Lanczos method, so the only approximation with respect to the exact method is due to finite sample noise. This is possible because, unlike previous quantum Krylov methods, our algorithm does not require simulating real or imaginary time evolution. We provide an explicit error bound for the resulting ground state energy estimate in the presence of noise. For our method to be successful efficiently, the only requirement on the input problem is that the overlap of the initial state with the true ground state must be $\Omega(1/\text{poly}(n))$ for $n$ qubits.

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