Online Program Home
  My Program

All Times EDT

Abstract Details

Activity Number: 300 - The Appeal of Quantum Computing in Statistical Science
Type: Topic Contributed
Date/Time: Wednesday, August 5, 2020 : 10:00 AM to 11:50 AM
Sponsor: Quantum Computing in Statistics and Machine Learning
Abstract #312494
Title: Quantum Approximate Bayesian Computation
Author(s): Dries Sels*
Companies: Harvard University

Recent technological advances may lead to the development of small scale quantum computers capable of solving problems that cannot be tackled with classical computers. A limited number of algorithms has been proposed and their relevance to real world problems is a subject of active investigation. In this paper, we propose a class of problems from the quantum realm that can be solved efficiently on quantum computers: model inference for nuclear magnetic resonance (NMR) spectroscopy, which is important for biological and medical research. Firstly, we use methods from classical machine learning to analyze a dataset of NMR spectra of small molecules. We perform a stochastic neighborhood embedding and identify clusters of spectra, and demonstrate that these clusters are correlated with the covalent structure of the molecules. Secondly, we propose a simple and efficient method, aided by a quantum simulator, to extract the NMR spectrum of any hypothetical molecule described by a parametric Heisenberg model. Thirdly, we propose an efficient variational Bayesian inference procedure for extracting Hamiltonian parameters of experimentally relevant NMR spectra.

Authors who are presenting talks have a * after their name.

Back to the full JSM 2020 program