X-Git-Url: https://git.donarmstrong.com/?p=ool%2Flipid_simulation_formalism.git;a=blobdiff_plain;f=kinetic_formalism_competition.Rnw;fp=kinetic_formalism_competition.Rnw;h=54e7fa8c02f5a022c0ffb1447bf0495cf14970f1;hp=9db41830b0bd6668b63a07453b1a002fdddbebf7;hb=36d62b5ddf98c4da55207932057a378b4f00c94c;hpb=22e0b2cf36d4fd09674626bb920bd8c4ff4a5ee2 diff --git a/kinetic_formalism_competition.Rnw b/kinetic_formalism_competition.Rnw index 9db4183..54e7fa8 100644 --- a/kinetic_formalism_competition.Rnw +++ b/kinetic_formalism_competition.Rnw @@ -1517,59 +1517,59 @@ The environment, initial vesicle, and the state of the vesicle immediately before and immediately after splitting are stored to produce later output. -\section{Analyzing output} - -The analysis of output is handled by a separate perl program which -shares many common modules with the simulation program. Current output -includes simulation progress, summary tables, summary statistics, and -various graphs. - -\subsection{PCA plots} - -Two major groups of axes that contribute to vesicle variation between -subsequent generations are the components and properties of vesicles. -Each component in a vesicle is an axis on its own; it can be measured -either as an absolute number of molecules in each component, or the -fraction of molecules of that component over the total number of -molecules; the second approach is often more convenient, as it allows -vesicles with different number of molecules to be directly compared -(though it hides any effect of vesicle size). - -In order to visualize the variation between and transition of -subsequent generations of vesicles from their initial state in the -simulation, to their final state at the termination of the simulation, -we plot the projection of the generations onto the two principle PCA -axes (and alternatively, any pairing of the axes). - -\subsection{Carpet plots} - -Carpet plots show the distance/similarity between the composition or -properties of all generations in a single run. The difference between -each group of vesicle can be calculated using Euclidean distance -(properties and compositions) or H similarity (composition only). We -must use Euclidean distance for properties because the H distance -metric is invalid when comparing negative vector elements to positive -vector elements. - -In addition to showing distance or similarity, carpet plots also -depict propersomes and composomes as square boxes on the diagonals and -propertypes and compotypes as rectangles off the diagonals, each -propertype or compotype with a distinct color. - -\subsection{Propersomes, propertypes, composomes and compotypes} - -A generation is considered to be a propersome if it is less than $0.6$ -units (by Euclidean distance of normalized properties) away from the -generation immediately following and preceding. Likewise, a generation -is in a composome if its H similarity is more than $0.9$ (by the -normalized H metric) from the preceding and following generations. -Propersomes and composomes are then assigned to propertypes and -compotypes using Paritioning Around Medioids -(PAM). All values of $k$ between 2 and 15 -(or the number of propersomes and composomes, if that is less than 15) -are tried, and the clustering with the smallest -silhouette~\citep{Rousseeuw1987:silhouettes} is chosen as the ideal -clustering~\citep{Shenhav2005:pgard}. +% \section{Analyzing output} +% +% The analysis of output is handled by a separate perl program which +% shares many common modules with the simulation program. Current output +% includes simulation progress, summary tables, summary statistics, and +% various graphs. +% +% \subsection{PCA plots} +% +% Two major groups of axes that contribute to vesicle variation between +% subsequent generations are the components and properties of vesicles. +% Each component in a vesicle is an axis on its own; it can be measured +% either as an absolute number of molecules in each component, or the +% fraction of molecules of that component over the total number of +% molecules; the second approach is often more convenient, as it allows +% vesicles with different number of molecules to be directly compared +% (though it hides any effect of vesicle size). +% +% In order to visualize the variation between and transition of +% subsequent generations of vesicles from their initial state in the +% simulation, to their final state at the termination of the simulation, +% we plot the projection of the generations onto the two principle PCA +% axes (and alternatively, any pairing of the axes). +% +% \subsection{Carpet plots} +% +% Carpet plots show the distance/similarity between the composition or +% properties of all generations in a single run. The difference between +% each group of vesicle can be calculated using Euclidean distance +% (properties and compositions) or H similarity (composition only). We +% must use Euclidean distance for properties because the H distance +% metric is invalid when comparing negative vector elements to positive +% vector elements. +% +% In addition to showing distance or similarity, carpet plots also +% depict propersomes and composomes as square boxes on the diagonals and +% propertypes and compotypes as rectangles off the diagonals, each +% propertype or compotype with a distinct color. +% +% \subsection{Propersomes, propertypes, composomes and compotypes} +% +% A generation is considered to be a propersome if it is less than $0.6$ +% units (by Euclidean distance of normalized properties) away from the +% generation immediately following and preceding. Likewise, a generation +% is in a composome if its H similarity is more than $0.9$ (by the +% normalized H metric) from the preceding and following generations. +% Propersomes and composomes are then assigned to propertypes and +% compotypes using Paritioning Around Medioids +% (PAM). All values of $k$ between 2 and 15 +% (or the number of propersomes and composomes, if that is less than 15) +% are tried, and the clustering with the smallest +% silhouette~\citep{Rousseeuw1987:silhouettes} is chosen as the ideal +% clustering~\citep{Shenhav2005:pgard}. \bibliographystyle{unsrtnat}