Quantum Annealing amid Local Ruggedness and Global Frustration

King, J. F.; Yarkoni, Sheir; Raymond, Jack; Özfidan, Işıl; King, Andrew; Nevisi, Mayssam Mohammadi; Hilton, Jeremy; McGeoch, Catherine C.

doi:10.48550/arxiv.1701.04579

Cited by 24 publications

(55 citation statements)

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“…For this amino acid sequence (DAYAQWLK) we again generated the Hamiltonian using the turn ancilla encoding locally on our server. However, this time we split the large Hamiltonian into 2 12 subproblems and requested only five batches of 10000 readouts each from the quantum processor via cloud access. Again for verification purposes, the correct lattice fold was obtained with a classical Monte-Carlo solver on classical hardware.…”

Section: Resultsmentioning

confidence: 99%

“…In recent years, quantum annealers have been shown to be able to solve certain NP-hard problems more efficiently than classical computers [5,12,14]. For this reason, quantum annealing performed on real-world experimental devices might provide solutions to the problem of finding the lowest energy conformation for lattice proteins of sizes unreachable for classical hardware.…”

Section: Introductionmentioning

confidence: 99%

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Coarse-grained lattice protein folding on a quantum annealer

Babej,

Ing,

Fingerhuth

2018

Preprint

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Lattice models have been used extensively over the past thirty years to examine the principles of protein folding and design. These models can be used to determine the conformation of the lowest energy fold out of a large number of possible conformations. However, due to the size of the conformational space, new algorithms are required for folding longer proteins sequences. Preliminary work was performed by Babbush et al. [3] to fold a small peptide on a planar lattice using a quantum annealing device. We extend this work by providing improved Ising-type Hamiltonian encodings for the problem of finding the lowest energy conformation of a lattice protein. We demonstrate a decrease in quantum circuit complexity from quadratic to quasilinear in certain cases. Additionally, we generalize to three spatial dimensions in order to obtain results with higher correlation to the actual atomistic 3D structure of the protein and outline our heuristic approach for splitting large problem instances into smaller subproblems that can be directly solved with the current D-Wave 2000Q architecture. To the best of our knowledge, this work sets a new record for lattice protein folding on a quantum annealer by folding Chignolin (10 residues) on a planar lattice and Trp-Cage (8 residues) on a cubic lattice.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Coarse-grained lattice protein folding on a quantum annealer

Babej,

Ing,

Fingerhuth

2018

Preprint

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“…In this section we address whether our empirical results and reasonable agreement with a quantum theory of the KZM can also be understood using a purely classical approach. We first consider a Boltzmann distribution of the kink density of the classical Ising chain, then the classical spin-vector Monte Carlo model [80], which has been successfully applied to at least partially describe the outcomes of experiments using the D-Wave devices in past studies [8,13,56,66,67,71,81], and also in recent theoretical studies of quantum annealing [82,83].…”

Section: Tests Of Classicalitymentioning

confidence: 99%

“…Quantum simulations are emerging to be one of the important applications of quantum annealing [1][2][3][4], quite different, and arguably more natural, than the original intent of using such devices for optimization, the subject of many recent studies [5][6][7][8][9][10][11][12][13][14][15]. Prominent examples include the simulation of the Kosterlitz-Thouless topological phase transition [16,17] and three-dimensional spin glasses [18] using the D-Wave quantum annealing devices, that have successfully reproduced the behavior of various physical quantities and the structure of the phase diagram, as predicted by classical simulations.…”

Section: Introductionmentioning

confidence: 99%

Probing the Universality of Topological Defect Formation in a Quantum Annealer: Kibble-Zurek Mechanism and Beyond

Bando,

Susa,

Oshiyama

et al. 2020

Preprint

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The number of topological defects created in a system driven through a quantum phase transition exhibits a power-law scaling with the driving time. This universal scaling law is the key prediction of the Kibble-Zurek mechanism (KZM), and testing it using a hardware-based quantum simulator is a coveted goal of quantum information science. Here we provide such a test using quantum annealing. Specifically, we report on extensive experimental tests of topological defect formation via the one-dimensional transverse-field Ising model on two different D-Wave quantum annealing devices. We find that the quantum simulator results can indeed be explained by the KZM for opensystem quantum dynamics with certain quantitative deviations from the theory likely caused by factors such as random control errors and transient effects. We also probe physics beyond the KZM by identifying signatures of universality in the distribution and cumulants of the number of kinks, and again find agreement with the quantum simulator results. This implies that the predictions of generalized KZM theory for an isolated system, applies beyond its original scope to an open system. This amounts to the first experimental observation of previously unknown behavior of a quantum system via quantum simulation. To check whether an alternative, classical interpretation of these results is possible, we used the spin-vector Monte Carlo model, a candidate classical description of the D-Wave device. We find that the degree of agreement with the experimental data from the D-Wave devices is better for the KZM, a quantum theory, than for the classical spin-vector Monte Carlo model, thus favoring a quantum description of the device. Our work provides an experimental test of quantum critical dynamics in an open quantum system, and paves the way to new directions in quantum simulation experiments.

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“…(2.54) has some limitation due to the hardware graph of the D-Wave computer chip which is full graph nor a regular lattice as in [63]. This processor chip is an intermediate case between two types of mentioned graphs, see Figure 2.4 [149,150,151], and it is called a Chimera graph χ ij . Such graph imposes a hierarchical relation similar to this observed among investors [61].…”

Section: Simulated Annealing On the D-wave Machinementioning

confidence: 99%

Selected Methods for non-Gaussian Data Analysis

Domino

2018

Preprint

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Quantum Annealing amid Local Ruggedness and Global Frustration

Cited by 24 publications

References 0 publications

Coarse-grained lattice protein folding on a quantum annealer

Coarse-grained lattice protein folding on a quantum annealer

Probing the Universality of Topological Defect Formation in a Quantum Annealer: Kibble-Zurek Mechanism and Beyond

Selected Methods for non-Gaussian Data Analysis

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