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Physical Review A

Matrix-product-state simulation of an extended Brüschweiler bulk-ensemble database search

Akira SaiToh, Masahiro Kitagawa

Published Jun 26, 2006• 8 citations
Publisher

Abstract

Br\"uschweiler's database search in a spin Liouville space can be efficiently simulated on a conventional computer without error as long as the simulation cost of the internal circuit of an oracle function is polynomial, unlike the fact that in true NMR experiments, it suffers from an exponential decrease in the variation of a signal intensity. With the simulation method using the matrix-product-state proposed by Vidal [G. Vidal, Phys. Rev. Lett. 91, 147902 (2003)], we perform such a simulation. We also show the extensions of the algorithm without utilizing the $J$-coupling or $DD$-coupling splitting of frequency peaks in observation: searching can be completed with a single query in polynomial postoracle circuit complexities in an extension; multiple solutions of an oracle can be found in another extension whose query complexity is linear in the key length and in the number of solutions (this extension is to find all of marked keys). These extended algorithms are also simulated with the same simulation method.

DOI
10.1103/physreva.73.062332

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Br"uschweiler's database search in a spin Liouville space can be efficiently simulated on a conventional computer without error as long as the simulation cost of the internal circuit of an oracle function is polynomial, unlike the fact that in true NMR experiments, it suffers from an exponential decrease in the variation of a signal intensity. With the simulation method using the matrix-product-state proposed by Vidal [G. Vidal, Phys. Rev. Lett. 91, 147902 (2003)], we perform such a simulation. We also show the extensions of the algorithm without utilizing the JJJ-coupling or DDDDDD-coupling splitting of frequency peaks in observation: searching can be completed with a single query in polynomial postoracle circuit complexities in an extension; multiple solutions of an oracle can be found in another extension whose query complexity is linear in the key length and in the number of solutions (this extension is to find all of marked keys). These extended algorithms are also simulated with the same simulation method.
Liouville space search algorithm [Bruschweiler, Phys. Rev. Lett. {\bf 85}, 4815(2000).] utilizes mixed initial states of the ensemble, and has been successfully implemented earlier in weakly coupled spins, in which a spin can be identified as a qubit. It has recently been demonstrated that n-strongly coupled spins can be collectively treated as an n-qubit system. Application of algorithms in such systems, requires new approaches using transition selective pulses rather than qubit selective pulses. This work develops a modified version of Liouville space search algorithm, which is applicable for strongly as well as weakly coupled spins. All the steps of the algorithm, can be implemented by using transition selective pulses. Experimental implementation is carried out on a strongly dipolar coupled four qubit system.
Abstract Brüschweiler's Ensemble algorithm requires n = log N queries to discover the wanted object from the database of the size N. In this paper, we use a new oracle query function g(.) to improve Brüschweiler's algorithm such that only one query is needed for searching the single object. Our algorithm extends from one ancillary qubit to n ancillary qubits. We then construct the oracle query function g(.) satisfying g(x) = 0 for all input x, except for one, say x = z, where g(z) = z. We first prepare 2n qubits, including n qubits for representing the elements and n ancillary qubits for storing the result of the oracle query function. After one query, we obtain z by measuring these ancillary qubits. Our algorithm can efficiently discover the wanted object if N ≤ 230 according to current NMR spectrometer technology.
The quantum search problem is an important problem due to the fact that a general NP problem can be solved efficiently by an unsorted quantum search algorithm. Here it has been shown that the quantum search problem could be solved in polynomial time on an NMR quantum computer. The NMR ensemble quantum computation is based on the quantum mechanical unitary dynamics that both a closed quantum system and its ensemble obey the same quantum mechanical unitary dynamics instead of on the pseudopure state or the effective pure state of the classical NMR quantum computation. Based on the new principle the conventional NMR multiple-quantum spectroscopy has been developed to solve experimentally the search problem. The solution information of the search problem is first loaded on the unitary evolution propagator which is constructed with the oracle unitary operation and oracle-independent unitary operations and is used to excite the multiple-quantum coherence in a spin ensemble. Then the multiple- quantum spectroscopy is used to extract experimentally the solution information. It has been discussed how to enhance the output NMR signal of the quantum search NMR multiple-quantum pulse sequence and some approaches to enhancing the NMR signal are also proposed. The present work could be helpful for conventional high field NMR machines to solve efficiently the quantum search problem.
The speedup of an unsorted database search has always been a challenging problem not only in classical computation but also in quantum computation. We propose a fetching algorithm for a Liouville space nuclear magnetic resonance (NMR) ensemble computing to fetch a marked item from an unsorted database directly. This algorithm achieves the absolute optimum in an unsorted database search problem: a single query. In fact, this algorithm also works well for fetching several unknown numbers of marked items. The computer simulation realization of the algorithm in a three-qubit homonuclear spin system is also presented. In addition, a compromised version of the algorithm, which reduces the demand on the structure of the molecules for the NMR experiment, is also devised.
Quantum computing by nuclear magnetic resonance using pseudopure spin states is bound by the maximal speed of quantum computing algorithms operating on pure states. In contrast to these quantum computing algorithms, a novel algorithm for searching an unsorted database is presented here that operates on truly mixed states in spin Liouville space. It provides an exponential speedup over Grover's quantum search algorithm with the sensitivity scaling exponentially with the number of spins, as for pseudopure state implementations. The minimal decoherence time required is exponentially shorter than that for Grover's algorithm.
With the latest advances in quantum computing technology, we are gradually moving from the noisy intermediate-scale quantum (NISQ) era characterized by hardware limited in the number of qubits and plagued with quantum noise, to the age of quantum utility where both the newest hardware and software methods allow for tackling problems which have been deemed difficult or intractable with conventional classical methods. One of these difficult problems is the simulation of one-dimensional (1D) nuclear magnetic resonance (NMR) spectra, a major tool to learn about the structure of molecules, helping the design of new materials or drugs. Using advanced error mitigation and error suppression techniques from Q-CTRL together with the latest commercially available superconducting-qubit quantum computer from IBM and trapped-ion quantum computer from IonQ, we present the quantum Hamiltonian simulation of liquid-state 1D NMR spectra in the high-field regime for spin systems up to 34 spins. Our pipeline has a major impact on the ability to execute deep quantum circuits with the reduction of quantum noise, improving mean square error by a factor of 22. It allows for the execution of deep quantum circuits and obtaining salient features of the 1D NMR spectra for both 16-spin and 22-spin systems, as well as a 34-spin system, which lies beyond the regime where unrestricted full Liouvillespace simulations are practical (32 spins, the Liouville limit). Our work is a step toward near-term quantum utility in NMR spectroscopy.