Quantum diffusion map for nonlinear dimensionality reduction

Abstract

Inspired by random walk on graphs, diffusion map (DM) is a class of unsupervised machine learning that offers automatic identification of low-dimensional data structure hidden in a highdimensional dataset. In recent years, among its many applications, DM has been successfully applied to discover relevant order parameters in many-body systems, enabling automatic classification of quantum phases of matter. However, classical DM algorithm is computationally prohibitive for a large dataset, and any reduction of the time complexity would be desirable. With a quantum computational speedup in mind, we propose a quantum algorithm for DM, termed quantum diffusion map (qDM). Our qDM takes as an input N classical data vectors, performs an eigen-decomposition of the Markov transition matrix in time O(log 3 N ), and classically constructs the diffusion map via the readout (tomography) of the eigenvectors, giving a total runtime of O(N 2 polylog N ). Lastly, quantum subroutines in qDM for constructing a Markov transition operator, and for analyzing its spectral properties can also be useful for other random walk-based algorithms.