3,664 research outputs found
A Hybrid Monte Carlo Ant Colony Optimization Approach for Protein Structure Prediction in the HP Model
The hydrophobic-polar (HP) model has been widely studied in the field of
protein structure prediction (PSP) both for theoretical purposes and as a
benchmark for new optimization strategies. In this work we introduce a new
heuristics based on Ant Colony Optimization (ACO) and Markov Chain Monte Carlo
(MCMC) that we called Hybrid Monte Carlo Ant Colony Optimization (HMCACO). We
describe this method and compare results obtained on well known HP instances in
the 3 dimensional cubic lattice to those obtained with standard ACO and
Simulated Annealing (SA). All methods were implemented using an unconstrained
neighborhood and a modified objective function to prevent the creation of
overlapping walks. Results show that our methods perform better than the other
heuristics in all benchmark instances.Comment: In Proceedings Wivace 2013, arXiv:1309.712
Global parameter identification of stochastic reaction networks from single trajectories
We consider the problem of inferring the unknown parameters of a stochastic
biochemical network model from a single measured time-course of the
concentration of some of the involved species. Such measurements are available,
e.g., from live-cell fluorescence microscopy in image-based systems biology. In
addition, fluctuation time-courses from, e.g., fluorescence correlation
spectroscopy provide additional information about the system dynamics that can
be used to more robustly infer parameters than when considering only mean
concentrations. Estimating model parameters from a single experimental
trajectory enables single-cell measurements and quantification of cell--cell
variability. We propose a novel combination of an adaptive Monte Carlo sampler,
called Gaussian Adaptation, and efficient exact stochastic simulation
algorithms that allows parameter identification from single stochastic
trajectories. We benchmark the proposed method on a linear and a non-linear
reaction network at steady state and during transient phases. In addition, we
demonstrate that the present method also provides an ellipsoidal volume
estimate of the viable part of parameter space and is able to estimate the
physical volume of the compartment in which the observed reactions take place.Comment: Article in print as a book chapter in Springer's "Advances in Systems
Biology
Resolving Vega and the inclination controversy with CHARA/MIRC
Optical and infrared interferometers definitively established that the
photometric standard Vega (alpha Lyrae) is a rapidly rotating star viewed
nearly pole-on. Recent independent spectroscopic analyses could not reconcile
the inferred inclination angle with the observed line profiles, preferring a
larger inclination. In order to resolve this controversy, we observed Vega
using the six-beam Michigan Infrared Combiner on the Center for High Angular
Resolution Astronomy Array. With our greater angular resolution and dense
(u,v)-coverage, we find Vega is rotating less rapidly and with a smaller
gravity darkening coefficient than previous interferometric results. Our models
are compatible with low photospheric macroturbulence and also consistent with
the possible rotational period of ~0.71 days recently reported based on
magnetic field observations. Our updated evolutionary analysis explicitly
incorporates rapid rotation, finding Vega to have a mass of 2.15+0.10_-0.15
Msun and an age 700-75+150 Myrs, substantially older than previous estimates
with errors dominated by lingering metallicity uncertainties
(Z=0.006+0.003-0.002).Comment: Accepted for publication in ApJ Letter
Inverse Ising inference with correlated samples
Correlations between two variables of a high-dimensional system can be
indicative of an underlying interaction, but can also result from indirect
effects. Inverse Ising inference is a method to distinguish one from the other.
Essentially, the parameters of the least constrained statistical model are
learned from the observed correlations such that direct interactions can be
separated from indirect correlations. Among many other applications, this
approach has been helpful for protein structure prediction, because residues
which interact in the 3D structure often show correlated substitutions in a
multiple sequence alignment. In this context, samples used for inference are
not independent but share an evolutionary history on a phylogenetic tree. Here,
we discuss the effects of correlations between samples on global inference.
Such correlations could arise due to phylogeny but also via other slow
dynamical processes. We present a simple analytical model to address the
resulting inference biases, and develop an exact method accounting for
background correlations in alignment data by combining phylogenetic modeling
with an adaptive cluster expansion algorithm. We find that popular reweighting
schemes are only marginally effective at removing phylogenetic bias, suggest a
rescaling strategy that yields better results, and provide evidence that our
conclusions carry over to the frequently used mean-field approach to the
inverse Ising problem.Comment: 18 pages, 6 figures; accepted at New J Phy
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