Computational Science Research

  • Application of a Second-order Stochastic Optimization Algorithm for Fitting Stochastic Epidemiological Models

    Epidemiological models have tremendous potential to forecast disease burden and quantify the impact of interventions. Detailed models are increasingly popular, however these models tend to be stochastic and very costly to evaluate. Fortunately, readily available high-performance cloud computing now means that these models can be evaluated many times in parallel. Here, we briefly describe PSPO,…

  • Identifying spatiotemporal dynamics of Ebola in Sierra Leone using virus genomes

    Containing the recent West African outbreak of Ebola virus (EBOV) required the deployment of substantial global resources. Operationally, health workers and surveillance teams treated cases, collected genetic samples, and tracked case contacts. Despite the substantial progress in analyzing and modeling EBOV epidemiological data, a complete characterization of the spatiotemporal spread of Ebola cases remains a…

  • (Preprint) Fractional diffusion emulates a human mobility network during a simulated disease outbreak

    From footpaths to flight routes, human mobility networks facilitate the spread of communicable diseases. Control and elimination efforts depend on characterizing these networks in terms of connections and flux rates of individuals between contact nodes. In some cases, transport can be parameterized with gravity-type models or approximated by a diffusive random walk. As a alternative,…

  • Deterministic Analysis of Extrinsic and Intrinsic Noise in an Epidemiological Model

    We couple a stochastic collocation method with an analytical expansion of the canonical epidemiological master equation to analyze the effects of both extrinsic and intrinsic noise. It is shown that depending on the distribution of the extrinsic noise, the master equation yields quantitatively different results compared to using the expectation of the distribution for the…

  • Optimal disease outbreak detection in a community using network observability

    Given a network, we would like to determine which subset of nodes should be measured by limited sensing facilities to maximize information about the entire network. The optimal choice corresponds to the configuration that returns the highest value of a measure of observability of the system. Here, the determinant of the inverse of the observability…

  • Equivalence of several generalized percolation models on networks

    In recent years, many variants of percolation have been used to study network structure and the behavior of processes spreading on networks. These include bond percolation, site percolation, k-core percolation, bootstrap percolation, the generalized epidemic process, and the Watts threshold model (WTM). We show that—except for bond percolation—each of these processes arises as a special…

  • SParSE++: improved event-based stochastic parameter search

    Background Despite the increasing availability of high performance computing capabilities, analysis and characterization of stochastic biochemical systems remain a computational challenge. To address this challenge, the Stochastic Parameter Search for Events (SParSE) was developed to automatically identify reaction rates that yield a probabilistic user-specified event. SParSE consists of three main components: the multi-level cross-entropy method,…

  • A Method to Calculate the Exit Time in Stochastic Simulations

    A novel method is presented to compute the exit time for the stochastic simulation algorithm. The method is based on the addition of a series of random variables and is derived using the convolution theorem. The final distribution is derived and approximated in the frequency domain. The distribution for the final time is transformed back…

  • The Separatrix Algorithm for Synthesis and Analysis of Stochastic Simulations with Applications in Disease Modeling

    Decision makers in epidemiology and other disciplines are faced with the daunting challenge of designing interventions that will be successful with high probability and robust against a multitude of uncertainties. To facilitate the decision making process in the context of a goal-oriented objective (e.g., eradicate polio by ), stochastic models can be used to map…

  • Stochastic parameter search for events

    Background With recent increase in affordability and accessibility of high-performance computing (HPC), the use of large stochastic models has become increasingly popular for its ability to accurately mimic the behavior of the represented biochemical system. One important application of such models is to predict parameter configurations that yield an event of scientific significance. Due to…