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Rainey Lyons

Publications and source records attributed to Rainey Lyons.

11 recordsLinked to original sources

Learning Structured Population Models from Data with WSINDy

In the context of population dynamics, identifying effective model features, such as fecundity and mortality rates, is generally a complex and computationally intensive process, especially when the dynamics are heterogeneous across the population. In this work, we propose a Weak form Scientific Machine Learning-based method for selecting appropriate model ingredients from a library of scientifically feasible functions used to model structured populations. This method uses extensions of the Weak form Sparse Identification of Nonlinear Dynamics (WSINDy) method to select the best-fitting ingredients from noisy time-series histogram data. This extension includes learning heterogeneous dynamics and also learning the boundary process of the model directly from the data. We additionally provide a cross-validation method which helps fine tune the recovered boundary process to the data. Several test cases are considered, demonstrating the method's performance for different previously studied models, including age and size-structured models. Through these examples, we examine both the advantages and limitations of the method, with a particular focus on the distinguishability of terms in the library.

q-bio.PE

3D morphology formation in a mixture of three differently averse components

Film formation from solvent evaporation in polymer ternary solutions is relevant for several technological applications, such as the fabrication of organic solar cells. The performance of the final device will strongly depend on the internal morphology of the obtained film, which, in turn, is affected by the processing conditions. We are interested in modeling morphology formation in 3D for ternary mixtures using both a lattice model and its continuous counterpart in the absence of evaporation. In our previous works, we found that, in 2D, both models predict the existence of two distinct regimes: (i) a low-solvent regime, characterized by two interpenetrated domains of the two polymers, and (ii) a high-solvent regime, where isolated polymer domains are dispersed in the solvent background. In the significantly more intriguing 3D case, we observe a comparable scenario both for the discrete and the continuous model. The lattice model reveals its ability to describe morphology formation even in the high solvent content 3D case, in which the three-dimensional nature of space could have prevented cluster formation.

cond-mat.soft

Invariance properties of the solution operator for measure-valued semilinear transport equations

We provide conditions under which we prove for measure-valued transport equations with non-linear reaction term in the space of finite signed Radon measures, that positivity is preserved, as well as absolute continuity with respect to Lebesgue measure, if the initial condition has that property. Moreover, if the initial condition has $L^p$ regular density, then the solution has the same property.

math.AP

Pattern formation in three-state systems: Towards understanding morphology formation in the presence of evaporation

Inspired by experimental evidence collected when processing thin films from ternary solutions made of two solutes, typically polymers, and one solvent, we computationally study the morphology formation of domains obtained in three-state systems using both a lattice model and a continuum counterpart. The lattice-based approach relies on the Blume-Capel nearest neighbor model with bulk conservative Kawasaki dynamics, whereas as continuum system we consider a coupled system of evolution equations that is derived as hydrodynamic limit when replacing the nearest neighbor interaction in the lattice case by a suitable Kac potential. We explore how the obtained morphology depends on the solvent content in the mixture. In particular, we study how these scenarios change when the solvent is allowed to evaporate.

cond-mat.stat-mech

A Bound Preserving Energy Stable Scheme for a Nonlocal Cahn-Hilliard Equation

We present a finite-volume based numerical scheme for a nonlocal Cahn-Hilliard equation which combines ideas from recent numerical schemes for gradient flow equations and nonlocal Cahn-Hilliard equations. The equation of interest is a special case of a previously derived and studied system of equations which describes phase separation in ternary mixtures. We prove the scheme is both energy stable and respects the analytical bounds of the solution. Furthermore, we present numerical demonstrations of the theoretical results using both the Flory-Huggins (FH) and Ginzburg-Landau (GL) free-energy potentials.

math.NA

Tunable correlation retention: A statistical method for generating synthetic data

We propose a method to generate statistically representative synthetic data from a given dataset. The main goal of our method is for the created data set to mimic the inter--feature correlations present in the original data, while also offering a tunable parameter to influence the privacy level. In particular, our method constructs a statistical map by using the empirical conditional distributions between the features of the original dataset. Part of the tunability is achieved by limiting the depths of conditional distributions that are being used. We describe in detail our algorithms used both in the construction of a statistical map and how to use this map to generate synthetic observations. This approach is tested in three different ways: with a hand calculated example; a manufactured dataset; and a real world energy-related dataset of consumption/production of households in Madeira Island. We evaluate the method by comparing the datasets using the Pearson correlation matrix with different levels of resolution and depths of correlation. These two considerations are being viewed as tunable parameters influencing the resulting datasets fidelity and privacy. The proposed methodology is general in the sense that it does not rely on the used test dataset. We expect it to be applicable in a much broader context than indicated here.

cs.LG

Numerical Exploration of Nonlinear Dispersion Effects via a Strongly Coupled Two-scale System

The effective, fast transport of matter through porous media is often characterized by complex dispersion effects. To describe in mathematical terms such situations, instead of a simple macroscopic equation (as in the classical Darcy's law), one may need to consider two-scale boundary-value problems with full coupling between the scales where the macroscopic transport depends non-linearly on local (i.e. microscopic) drift interactions, which are again influenced by local concentrations. Such two-scale problems are computationally very expensive as numerous elliptic partial differential equations (cell problems) have to constantly be recomputed. In this work, we investigate such an effective two-scale model involving a suitable nonlinear dispersion term and explore numerically the behavior of its weak solutions. We introduce two distinct numerical schemes dealing with the same non-linear scale-coupling: (i) a Picard-type iteration and (ii) a time discretization decoupling. In addition, we propose a precomputing strategy where the calculations of cell problems are pushed into an offline phase. Our approach works for both schemes and significantly reduces computation times. We prove that the proposed precomputing strategy converges to the exact solution. Finally, we test our schemes via several numerical experiments that illustrate dispersion effects introduced by specific choices of microstructure and model ingredients.

math.NA

Strongly Coupled Two-scale System with Nonlinear Dispersion: Weak Solvability and Numerical Simulation

We investigate a two-scale system featuring an upscaled parabolic dispersion-reaction equation intimately linked to a family of elliptic cell problems. The system is strongly coupled through a dispersion tensor, which depends on the solutions to the cell problems, and via the cell problems themselves, where the solution of the parabolic problem interacts nonlinearly with the drift term. This particular mathematical structure is motivated by a rigorously derived upscaled reaction-diffusion-convection model that describes the evolution of a population of interacting particles pushed by a large drift through an array of periodically placed obstacles (i.e., through a regular porous medium). We prove the existence and uniqueness of weak solutions to our system by means of an iterative scheme, where particular care is needed to ensure the uniform positivity of the dispersion tensor. Additionally, we use finite element-based approximations for the same iteration scheme to perform multiple simulation studies. Finally, we highlight how the choice of micro-geometry (building the regular porous medium) and of the nonlinear drift coupling affects the macroscopic dispersion of particles.

math.AP

Phase separation and morphology formation in interacting ternary mixtures under evaporation: Well-posedness and numerical simulation of a non-local evolution system

We study a nonlinear coupled parabolic system with non-local drift terms modeling at the continuum level the inter-species interaction within a ternary mixture that allows the evaporation of one of the species. In the absence of evaporation, the proposed system coincides with the hydrodynamic limit of a stochastic interacting particle system of Blume-Capel-type driven by the Kawasaki dynamics. Similar governing dynamics are found in models used to study morphology formation in the design of organic solar cells, thin adhesive bands, and other applications. We investigate the well-posedness of the target system and present preliminary numerical simulations which incorporate evaporation into the model. We employ a finite volumes scheme to construct approximations of the weak solution and illustrate how the evaporation process can affect the shape and connectivity of the evolving-in-time morphologies.

math.AP

High Resolution Finite Difference Schemes for a Size Structured Coagulation-Fragmentation Model in the Space of Radon Measures

In this paper we develop explicit and semi-implicit second-order high-resolution finite difference schemes for a structured coagulation-fragmentation model formulated on the space of Radon measures. We prove the convergence of each of the two schemes to the unique weak solution of the model. We perform numerical simulations to demonstrate that the second order accuracy is achieved by both schemes.

math.NA

A Continuum Model for Morphology Formation from Interacting Ternary Mixtures: Simulation Study of the Formation and Growth of Patterns

Our interest lies in exploring the ability of a coupled nonlocal system of two quasilinear parabolic partial differential equations to produce phase separation patterns. The obtained patterns are referred here as morphologies. Our target system is derived in the literature as the rigorous hydrodynamic limit of a suitably scaled interacting particle system of Blume--Capel--type driven by Kawasaki dynamics. The system describes in a rather implicit way the interaction within a ternary mixture that is the macroscopic counterpart of a mix of two populations of interacting solutes in the presence of a background solvent. Our discussion is based on the qualitative behavior of numerical simulations of finite volume approximations of smooth solutions to our system and their quantitative postprocessing in terms of two indicators (correlation and structure factor calculations). Our results show many similar features compared to what one knows at the level of the stochastic Blume--Capel dynamics with three interacting species. The properties of the obtained morphologies (shape, connectivity, and so on) can play a key role in, e.g., the design of the active layer for efficient organic solar cells.

cond-mat.stat-mech