7,405 research outputs found
Comparing families of dynamic causal models
Mathematical models of scientific data can be formally compared using Bayesian model evidence. Previous applications in the biological sciences have mainly focussed on model selection in which one first selects the model with the highest evidence and then makes inferences based on the parameters of that model. This “best model” approach is very useful but can become brittle if there are a large number of models to compare, and if different subjects use different models. To overcome this shortcoming we propose the combination of two further approaches: (i) family level inference and (ii) Bayesian model averaging within families. Family level inference removes uncertainty about aspects of model structure other than the characteristic of interest. For example: What are the inputs to the system? Is processing serial or parallel? Is it linear or nonlinear? Is it mediated by a single, crucial connection? We apply Bayesian model averaging within families to provide inferences about parameters that are independent of further assumptions about model structure. We illustrate the methods using Dynamic Causal Models of brain imaging data
Determine measurement set for parameter estimation in biological systems modeling
Parameter estimation is challenging for biological systems modelling since the model is normally of high dimension, the measurement data are sparse and noisy, and the cost of experiments is high. Accurate recovery of parameters depend on the quantity and quality of measurement data. It is therefore important to know what measurements to be taken, when and how through optimal experimental design (OED). In this paper we present a method to determine the most informative measurement set for parameter estimation of dynamic systems, in particular biochemical reaction systems, such that the unknown parameters can be inferred with the best possible statistical quality using the data collected from the designed experiments. System analysis using matrix theory is introduced to examine the number of necessary measurement variables. The priority of each measurement variable is determined by optimal experimental design based on Fisher information matrix (FIM). The applicability and advantages of the proposed method are illustrated through an example of a signal pathway model
Approximate Bayesian computation scheme for parameter inference and model selection in dynamical systems
Approximate Bayesian computation methods can be used to evaluate posterior
distributions without having to calculate likelihoods. In this paper we discuss
and apply an approximate Bayesian computation (ABC) method based on sequential
Monte Carlo (SMC) to estimate parameters of dynamical models. We show that ABC
SMC gives information about the inferability of parameters and model
sensitivity to changes in parameters, and tends to perform better than other
ABC approaches. The algorithm is applied to several well known biological
systems, for which parameters and their credible intervals are inferred.
Moreover, we develop ABC SMC as a tool for model selection; given a range of
different mathematical descriptions, ABC SMC is able to choose the best model
using the standard Bayesian model selection apparatus.Comment: 26 pages, 9 figure
A subsystems approach for parameter estimation of ODE models of hybrid systems
We present a new method for parameter identification of ODE system
descriptions based on data measurements. Our method works by splitting the
system into a number of subsystems and working on each of them separately,
thereby being easily parallelisable, and can also deal with noise in the
observations.Comment: In Proceedings HSB 2012, arXiv:1208.315
Updates in metabolomics tools and resources: 2014-2015
Data processing and interpretation represent the most challenging and time-consuming steps in high-throughput metabolomic experiments, regardless of the analytical platforms (MS or NMR spectroscopy based) used for data acquisition. Improved machinery in metabolomics generates increasingly complex datasets that create the need for more and better processing and analysis software and in silico approaches to understand the resulting data. However, a comprehensive source of information describing the utility of the most recently developed and released metabolomics resources—in the form of tools, software, and databases—is currently lacking. Thus, here we provide an overview of freely-available, and open-source, tools, algorithms, and frameworks to make both upcoming and established metabolomics researchers aware of the recent developments in an attempt to advance and facilitate data processing workflows in their metabolomics research. The major topics include tools and researches for data processing, data annotation, and data visualization in MS and NMR-based metabolomics. Most in this review described tools are dedicated to untargeted metabolomics workflows; however, some more specialist tools are described as well. All tools and resources described including their analytical and computational platform dependencies are summarized in an overview Table
Data-driven modelling of biological multi-scale processes
Biological processes involve a variety of spatial and temporal scales. A
holistic understanding of many biological processes therefore requires
multi-scale models which capture the relevant properties on all these scales.
In this manuscript we review mathematical modelling approaches used to describe
the individual spatial scales and how they are integrated into holistic models.
We discuss the relation between spatial and temporal scales and the implication
of that on multi-scale modelling. Based upon this overview over
state-of-the-art modelling approaches, we formulate key challenges in
mathematical and computational modelling of biological multi-scale and
multi-physics processes. In particular, we considered the availability of
analysis tools for multi-scale models and model-based multi-scale data
integration. We provide a compact review of methods for model-based data
integration and model-based hypothesis testing. Furthermore, novel approaches
and recent trends are discussed, including computation time reduction using
reduced order and surrogate models, which contribute to the solution of
inference problems. We conclude the manuscript by providing a few ideas for the
development of tailored multi-scale inference methods.Comment: This manuscript will appear in the Journal of Coupled Systems and
Multiscale Dynamics (American Scientific Publishers
Multiphase MCMC sampling for parameter inference in nonlinear ordinary differential equations
Traditionally, ODE parameter inference relies on solving the system of ODEs and assessing fit of the estimated signal with the observations. However, nonlinear ODEs often do not permit closed form solutions. Using numerical methods to solve the equations results in prohibitive computational costs, particularly when one adopts a Bayesian approach in sampling parameters from a posterior distribution. With the introduction of gradient matching, we can abandon the need to numerically solve the system of equations. Inherent in these efficient procedures is an introduction of bias to the learning problem as we no longer sample based on the exact likelihood function. This paper presents a multiphase MCMC approach that attempts to close the gap between efficiency and accuracy. By sampling using a surrogate likelihood, we accelerate convergence to the stationary distribution before sampling using the exact likelihood. We demonstrate that this method combines the efficiency of gradient matching and the accuracy of the exact likelihood scheme
Learning stable and predictive structures in kinetic systems: Benefits of a causal approach
Learning kinetic systems from data is one of the core challenges in many
fields. Identifying stable models is essential for the generalization
capabilities of data-driven inference. We introduce a computationally efficient
framework, called CausalKinetiX, that identifies structure from discrete time,
noisy observations, generated from heterogeneous experiments. The algorithm
assumes the existence of an underlying, invariant kinetic model, a key
criterion for reproducible research. Results on both simulated and real-world
examples suggest that learning the structure of kinetic systems benefits from a
causal perspective. The identified variables and models allow for a concise
description of the dynamics across multiple experimental settings and can be
used for prediction in unseen experiments. We observe significant improvements
compared to well established approaches focusing solely on predictive
performance, especially for out-of-sample generalization
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