An alternative quadrilinear decomposition algorithm for four-way calibration with application to analysis of four-way fluorescence excitation-emission-pH data array

摘要

A novel quadrilinear decomposition algorithm for four-way calibration (third-order tensor calibration), which was called as regularized self-weighted alternating quadrilinear decomposition (RSWAQLD), has been developed in this work. It originates from the alternating trilinear decomposition (ATLD) algorithm, inherits the philosophy behind self-weighting operation from the self-weighted alternating trilinear decomposition (SWATLD) algorithm. The RSWAQLD algorithm is based on a nearby least-squares scheme, in which two extra terms are added to each loss function, making it more stable and flexible. Experiment shows that RSWAQLD has the features of fast convergence and being insensitive to the excess estimated factors in the model. Owing to its unique optimizing approach, RSWAQLD is much more efficient than four-way PARAFAC. Moreover, the performance of RSWAQLD is quit stable as the number of factors used in calculation varies (as long as it is no less than the true number of factors). Such a feature will simplify the analysts of four-way data arrays, since it is unnecessary to spend a lot of time and effort on accurately determining the appropriate number of factors in the matrix. In addition, the result of four-way fluorescence excitation-emission-pH data, as well as that of simulated data, illustrated that RSWAQLD can not only remain the "higher-order advantage" but also provide a satisfying result even in high collinear systems.