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A Quantum-Assisted Algorithm for Sampling Applications in Machine Learning

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact in deep learning and other machine learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggests it will do so with an instance-dependent effective temperature, different from the physical temperature of the device. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this talk, we present a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a kind of restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep learning architectures. We also provide a comparison to k-step contrastive divergence (CD-k) with k up to 100. Although assuming a suitable fixed effective temperature also allows to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature we find a performance close to that of CD-100 for the case studied here. We discuss generalizations of the algorithm to other more expressive generative models, beyond restricted Boltzmann machines.

Perdomo-Ortiz, Alejandro↗

Materials Data on KCd13 by Materials Project

KCd13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to twenty-four equivalent Cd atoms. All K–Cd bond lengths are 4.09 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent K and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.92–3.42 Å. In the second Cd site, Cd is bonded in a cuboctahedral geometry to twelve equivalent Cd atoms.

36 MATERIALS SCIENCE↗

Materials Data on K3Cd by Materials Project

K3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Cd atoms to form distorted KK8Cd4 cuboctahedra that share corners with twelve equivalent KK8Cd4 cuboctahedra, edges with eight equivalent CdK12 cuboctahedra, edges with sixteen equivalent KK8Cd4 cuboctahedra, faces with four equivalent CdK12 cuboctahedra, and faces with fourteen equivalent KK8Cd4 cuboctahedra. All K–K bond lengths are 4.21 Å. All K–Cd bond lengths are 4.21 Å. Cd is bonded to twelve equivalent K atoms to form CdK12 cuboctahedra that share corners with twelve equivalent CdK12 cuboctahedra, edges with twenty-four equivalent KK8Cd4 cuboctahedra, faces with six equivalent CdK12 cuboctahedra, and faces with twelve equivalent KK8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on K3Cd by Materials Project

K3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing KK4Cd4 tetrahedra. All K–K bond lengths are 4.06 Å. All K–Cd bond lengths are 4.06 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

Materials Data on K3Cd by Materials Project

K3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Cd atoms. All K–K bond lengths are 4.16 Å. All K–Cd bond lengths are 4.16 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

Materials Data on KCd3 by Materials Project

KCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.39 Å) and six longer (3.91 Å) K–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent K and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing CdK4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.39 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗