Time-efficient filtering of imaging polarimetric data by checking physical realizability of experimental mueller matrices.

MOTIVATION: Imaging Mueller polarimetry has already proved its potential for biomedicine, remote sensing and metrology. The real-time applications of this modality require both video rate image acquisition and fast data post-processing algorithms. First, one must check the physical realizability of the experimental Mueller matrices in order to filter out non-physical data, ie to test the positive semi-definiteness of the 4 × 4 Hermitian coherency matrix calculated from the elements of corresponding Mueller matrix pixel-wise. For this purpose, we compared the execution time for the calculations of i) eigenvalues, ii) Cholesky decomposition, iii) Sylvester's criterion, and iv) coefficients of the characteristic polynomial (two different approaches) of the Hermitian coherency matrix, all calculated for the experimental Mueller matrix images (600 pixels × 700 pixels) of mouse uterine cervix. The calculations were performed using C ++ and Julia programming languages. RESULTS: Our results showed the superiority of the algorithm iv) based on the simplification via Pauli matrices over other algorithms for our dataset. The sequential implementation of latter algorithm on a single core already satisfies the requirements of real-time polarimetric imaging. This can be further amplified by the proposed parallelization (e.g., we achieve a 5-fold speed up on 6 cores). AVAILABILITY AND IMPLEMENTATION: The source codes of the algorithms and experimental data are available at https://github.com/pogudingleb/mueller_matrices.

CLUE: Exact maximal reduction of kinetic models by constrained lumping of differential equations.

MOTIVATION: Detailed mechanistic models of biological processes can pose significant challenges for analysis and parameter estimations due to the large number of equations used to track the dynamics of all distinct configurations in which each involved biochemical species can be found. Model reduction can help tame such complexity by providing a lower-dimensional model in which each macro-variable can be directly related to the original variables. RESULTS: We present CLUE, an algorithm for exact model reduction of systems of polynomial differential equations by constrained linear lumping. It computes the smallest dimensional reduction as a linear mapping of the state space such that the reduced model preserves the dynamics of user-specified linear combinations of the original variables. Even though CLUE works with nonlinear differential equations, it is based on linear algebra tools, which makes it applicable to high-dimensional models. Using case studies from the literature, we show how CLUE can substantially lower model dimensionality and help extract biologically intelligible insights from the reduction. AVAILABILITY: An implementation of the algorithm and relevant resources to replicate the experiments herein reported are freely available for download at https://github.com/pogudingleb/CLUE. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

CLUE: exact maximal reduction of kinetic models by constrained lumping of differential equations.

MOTIVATION: Detailed mechanistic models of biological processes can pose significant challenges for analysis and parameter estimations due to the large number of equations used to track the dynamics of all distinct configurations in which each involved biochemical species can be found. Model reduction can help tame such complexity by providing a lower-dimensional model in which each macro-variable can be directly related to the original variables. RESULTS: We present CLUE, an algorithm for exact model reduction of systems of polynomial differential equations by constrained linear lumping. It computes the smallest dimensional reduction as a linear mapping of the state space such that the reduced model preserves the dynamics of user-specified linear combinations of the original variables. Even though CLUE works with non-linear differential equations, it is based on linear algebra tools, which makes it applicable to high-dimensional models. Using case studies from the literature, we show how CLUE can substantially lower model dimensionality and help extract biologically intelligible insights from the reduction. AVAILABILITY AND IMPLEMENTATION: An implementation of the algorithm and relevant resources to replicate the experiments herein reported are freely available for download at https://github.com/pogudingleb/CLUE. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

The Dynamics of Canalizing Boolean Networks.

Boolean networks are a popular modeling framework in computational biology to capture the dynamics of molecular networks, such as gene regulatory networks. It has been observed that many published models of such networks are defined by regulatory rules driving the dynamics that have certain so-called canalizing properties. In this paper, we investigate the dynamics of a random Boolean network with such properties using analytical methods and simulations. From our simulations, we observe that Boolean networks with higher canalizing depth have generally fewer attractors, the attractors are smaller, and the basins are larger, with implications for the stability and robustness of the models. These properties are relevant to many biological applications. Moreover, our results show that, from the standpoint of the attractor structure, high canalizing depth, compared to relatively small positive canalizing depth, has a very modest impact on dynamics. Motivated by these observations, we conduct mathematical study of the attractor structure of a random Boolean network of canalizing depth one (i.e., the smallest positive depth). For every positive integer ℓ, we give an explicit formula for the limit of the expected number of attractors of length ℓ in an n-state random Boolean network as n goes to infinity.

SIAN: software for structural identifiability analysis of ODE models.

SUMMARY: Biological processes are often modeled by ordinary differential equations with unknown parameters. The unknown parameters are usually estimated from experimental data. In some cases, due to the structure of the model, this estimation problem does not have a unique solution even in the case of continuous noise-free data. It is therefore desirable to check the uniqueness a priori before carrying out actual experiments. We present a new software SIAN (Structural Identifiability ANalyser) that does this. Our software can tackle problems that could not be tackled by previously developed packages. AVAILABILITY AND IMPLEMENTATION: SIAN is open-source software written in Maple and is available at https://github.com/pogudingleb/SIAN. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Power series expansions for the planar monomer-dimer problem.

We compute the free energy of the planar monomer-dimer model. Unlike the classical planar dimer model, an exact solution is not known in this case. Even the computation of the low-density power series expansion requires heavy and nontrivial computations. Despite the exponential computational complexity, we compute almost three times more terms than were previously known. Such an expansion provides both lower and upper bounds for the free energy and makes it possible to obtain more accurate numerical values than previously possible. We expect that our methods can be applied to other similar problems.