At 1QBit we have developed a method of measuring similarity between graphs with the aid of a quantum annealer. In contrast to conventional methods, our method is capable of identifying the reasons for determining that two arbitrary graphs are similar, and can illustrate how much each component of each graph contributes to the decision. Moreover, the method can be used to mine similar patterns in a group of graphs by solving subset matching problems. To validate our approach we apply our method in a biochemical scenario, classifying the toxicity properties of a library of molecules based on their similarity to labelled molecules. Benchmarking results show that this general-purpose similarity determination method can perform as accurately as the best-known classical solution while providing higher sensitivity or higher specificity, and maintaining the same predictive accuracy.
This paper describes a general method developed by 1QBit for solving continuous optimization problems inspired by different types of simulated annealing and genetic algorithms. This method works under the assumption of the existence of a computation model with a Turing reduction of problems to either quadratic unconstrained binary optimization (QUBO) problems or to an Ising spin problem. The paper presents an application of this method to a mixed-integer optimization problem. This will demonstrate an interesting method of representing a cardinality-constrained optimization problem using analytic expressions, and the ability of the method to solve such mixed-integer optimization problems.
We describe how the Integer Optimization Toolbox approaches the problem of minimization of a (low-degree) polynomial over an integer lattice. In theory, the method illustrated here can be used for arbitrarily large polynomials with a large enough quantum annealing oracle.