Visual Detection of Structural Changes in Time-Varying Graphs Using Persistent Homology

Topological data analysis is an emerging area in exploratory data analysis and data mining. Its main tool, persistent homology, has become a popular technique to study the structure of complex, high-dimensional data. In this paper, we propose a novel method using persistent homology to quantify structural changes in time-varying graphs. Specifically, we transform each instance of the time-varying graph into metric spaces, extract topological features using persistent homology, and compare those features over time. We provide a visualization that assists in time-varying graph exploration and helps to identify patterns of behavior within the data. To validate our approach, we conduct several case studies on real world data sets and show how our method can find cyclic patterns, deviations from those patterns, and one-time events in time-varying graphs. We also examine whether persistence-based similarity measure as a graph metric satisfies a set of well-established, desirable properties for graph metrics

MOLNs: A cloud platform for interactive, reproducible and scalable spatial stochastic computational experiments in systems biology using PyURDME

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools, a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments

Tuning the Performance of a Computational Persistent Homology Package

In recent years, persistent homology has become an attractive method for data analysis. It captures topological features, such as connected components, holes, and voids from point cloud data and summarizes the way in which these features appear and disappear in a filtration sequence. In this project, we focus on improving the performanceof Eirene, a computational package for persistent homology. Eirene is a 5000-line open-source software library implemented in the dynamic programming language Julia. We use the Julia profiling tools to identify performance bottlenecks and develop novel methods to manage them, including the parallelization of some time-consuming functions on multicore/manycore hardware. Empirical results show that performance can be greatly improved