Conjugate Direction Particle Swarm Optimization Based Approach to Determine Kinetic Parameters from Part of Adiabatic Data

Due to the limited detection range of the adiabatic equipment, it is difficult to get complete experimental curve of some materials and calculate the kinetic parameters. In this work, the conjugate direction particle swarm optimization (CDPSO) approach, as a global stochastic optimization algorithm, is proposed to estimate the kinetic parameters and complete experimental curve from part of adiabatic calorimetric data. This algorithm combines the conjugate direction algorithm (CD) which has the ability to escape from the local extremum and the global optimization ability of the particle swarm optimization (PSO) which finds the globally optimal solutions. One case was used to verify this method: 20% DTBP in toluene decompositions under adiabatic conditions. Comparing the experimental and calculated complete temperature curve, the accuracy of the fitted kinetic parameters calculated by no less than 70% temperature rise rate proportion of data is verified. The value of TD24 is well-deviated even used 10% proportion of data. The case reasonably proves the effectiveness of CDPSO algorithm in the estimation of kinetic parameters from part of adiabatic data.

Quantum Implementation of Powell’s Conjugate Direction Method

A quantum circuit implementation of Powell’s conjugate direction method (“Powell’s method”) is proposed based on quantum basic transformations in this study. Powell’s method intends to find the minimum of a function, including a sequence of parameters, by changing one parameter at a time. The quantum circuits that implement Powell’s method are logically built by combining quantum computing units and basic quantum gates. The main contributions of this study are the quantum realization of a quadratic equation, the proposal of a quantum one-dimensional search algorithm, the quantum implementation of updating the searching direction array (SDA), and the quantum judgment of stopping the Powell’s iteration. A simulation demonstrates the execution of Powell’s method, and future applications, such as data fitting and image registration, are discussed.