Development of optimization method for truss structure by quantum annealing.

In this study, we developed a new method of topology optimization for truss structures by quantum annealing. To perform quantum annealing analysis with real variables, representation of real numbers as a sum of random number combinations is employed. The nodal displacement is expressed with binary variables. The Hamiltonian H is formulated on the basis of the elastic strain energy and position energy of a truss structure. It is confirmed that truss deformation analysis is possible by quantum annealing. For the analysis of the optimization method for the truss structure, the cross-sectional area of the truss is expressed with binary variables. The iterative calculation for the changes in displacement and cross-sectional area leads to the optimal structure under the prescribed boundary conditions.

Novel real number representations in Ising machines and performance evaluation: Combinatorial random number sum and constant division.

Quantum annealing machines are next-generation computers for solving combinatorial optimization problems. Although physical simulations are one of the most promising applications of quantum annealing machines, a method how to embed the target problem into the machines has not been developed except for certain simple examples. In this study, we focus on a method of representing real numbers using binary variables, or quantum bits. One of the most important problems for conducting physical simulation by quantum annealing machines is how to represent the real number with quantum bits. The variables in physical simulations are often represented by real numbers but real numbers must be represented by a combination of binary variables in quantum annealing, such as quadratic unconstrained binary optimization (QUBO). Conventionally, real numbers have been represented by assigning each digit of their binary number representation to a binary variable. Considering the classical annealing point of view, we noticed that when real numbers are represented in binary numbers, there are numbers that can only be reached by inverting several bits simultaneously under the restriction of not increasing a given Hamiltonian, which makes the optimization very difficult. In this work, we propose three new types of real number representation and compared these representations under the problem of solving linear equations. As a result, we found experimentally that the accuracy of the solution varies significantly depending on how the real numbers are represented. We also found that the most appropriate representation depends on the size and difficulty of the problem to be solved and that these differences show a consistent trend for two annealing solvers. Finally, we explain the reasons for these differences using simple models, the minimum required number of simultaneous bit flips, one-way probabilistic bit-flip energy minimization, and simulation of ideal quantum annealing machine.

Heterogeneous biological membranes regulate protein partitioning via fluctuating diffusivity.

Cell membranes phase separate into ordered Lo and disordered Ld domains depending on their compositions. This membrane compartmentalization is heterogeneous and regulates the localization of specific proteins related to cell signaling and trafficking. However, it is unclear how the heterogeneity of the membranes affects the diffusion and localization of proteins in Lo and Ld domains. Here, using Langevin dynamics simulations coupled with the phase-field (LDPF) method, we investigate several tens of milliseconds-scale diffusion and localization of proteins in heterogeneous biological membrane models showing phase separation into Lo and Ld domains. The diffusivity of proteins exhibits temporal fluctuations depending on the field composition. Increases in molecular concentrations and domain preference of the molecule induce subdiffusive behavior due to molecular collisions by crowding and confinement effects, respectively. Moreover, we quantitatively demonstrate that the protein partitioning into the Lo domain is determined by the difference in molecular diffusivity between domains, molecular preference of domain, and molecular concentration. These results pave the way for understanding how biological reactions caused by molecular partitioning may be controlled in heterogeneous media. Moreover, the methodology proposed here is applicable not only to biological membrane systems but also to the study of diffusion and localization phenomena of molecules in various heterogeneous systems.

A phase-field model by an Ising machine and its application to the phase-separation structure of a diblock polymer.

A novel model to be applied to next-generation accelerators, Ising machines, is formulated on the basis of the phase-field model of the phase-separation structure of a diblock polymer. Recently, Ising machines including quantum annealing machines, attract overwhelming attention as a technology that opens up future possibilities. On the other hand, the phase-field model has demonstrated its high performance in material development, though it takes a long time to achieve equilibrium. Although the convergence time problem might be solved by the next-generation accelerators, no solution has been proposed. In this study, we show the calculation of the phase-separation structure of a diblock polymer as the equilibrium state using phase-field model by an actual Ising machine. The proposed new model brings remarkable acceleration in obtaining the phase-separation structure. Our model can be solved on a large-scale quantum annealing machine. The significant acceleration of the phase-field simulation by the quantum technique pushes the material development to the next stage.