arXiv subjects

Mauricio Barahona

Publications and source records attributed to Mauricio Barahona.

At least 109 records · Page 6Linked to original sources

arXiv2012

Encoding dynamics for multiscale community detection: Markov time sweeping for the Map equation

The detection of community structure in networks is intimately related to finding a concise description of the network in terms of its modules. This notion has been recently exploited by the Map equation formalism (M. Rosvall and C.T. Bergstrom, PNAS, 105(4), pp.1118--1123, 2008) through an information-theoretic description of the process of coding inter- and intra-community transitions of a random walker in the network at stationarity. However, a thorough study of the relationship between the full Markov dynamics and the coding mechanism is still lacking. We show here that the original Map coding scheme, which is both block-averaged and one-step, neglects the internal structure of the communities and introduces an upper scale, the `field-of-view' limit, in the communities it can detect. As a consequence, Map is well tuned to detect clique-like communities but can lead to undesirable overpartitioning when communities are far from clique-like. We show that a signature of this behavior is a large compression gap: the Map description length is far from its ideal limit. To address this issue, we propose a simple dynamic approach that introduces time explicitly into the Map coding through the analysis of the weighted adjacency matrix of the time-dependent multistep transition matrix of the Markov process. The resulting Markov time sweeping induces a dynamical zooming across scales that can reveal (potentially multiscale) community structure above the field-of-view limit, with the relevant partitions indicated by a small compression gap.

physics.soc-ph↗

arXiv2012

Markov dynamics as a zooming lens for multiscale community detection: non clique-like communities and the field-of-view limit

In recent years, there has been a surge of interest in community detection algorithms for complex networks. A variety of computational heuristics, some with a long history, have been proposed for the identification of communities or, alternatively, of good graph partitions. In most cases, the algorithms maximize a particular objective function, thereby finding the `right' split into communities. Although a thorough comparison of algorithms is still lacking, there has been an effort to design benchmarks, i.e., random graph models with known community structure against which algorithms can be evaluated. However, popular community detection methods and benchmarks normally assume an implicit notion of community based on clique-like subgraphs, a form of community structure that is not always characteristic of real networks. Specifically, networks that emerge from geometric constraints can have natural non clique-like substructures with large effective diameters, which can be interpreted as long-range communities. In this work, we show that long-range communities escape detection by popular methods, which are blinded by a restricted `field-of-view' limit, an intrinsic upper scale on the communities they can detect. The field-of-view limit means that long-range communities tend to be overpartitioned. We show how by adopting a dynamical perspective towards community detection (Delvenne et al. (2010) PNAS:107: 12755-12760; Lambiotte et al. (2008) arXiv:0812.1770), in which the evolution of a Markov process on the graph is used as a zooming lens over the structure of the network at all scales, one can detect both clique- or non clique-like communities without imposing an upper scale to the detection. Consequently, the performance of algorithms on inherently low-diameter, clique-like benchmarks may not always be indicative of equally good results in real networks with local, sparser connectivity.

physics.soc-ph↗

arXiv2011

Squeeze-and-Breathe Evolutionary Monte Carlo Optimisation with Local Search Acceleration and its application to parameter fitting

Motivation: Estimating parameters from data is a key stage of the modelling process, particularly in biological systems where many parameters need to be estimated from sparse and noisy data sets. Over the years, a variety of heuristics have been proposed to solve this complex optimisation problem, with good results in some cases yet with limitations in the biological setting. Results: In this work, we develop an algorithm for model parameter fitting that combines ideas from evolutionary algorithms, sequential Monte Carlo and direct search optimisation. Our method performs well even when the order of magnitude and/or the range of the parameters is unknown. The method refines iteratively a sequence of parameter distributions through local optimisation combined with partial resampling from a historical prior defined over the support of all previous iterations. We exemplify our method with biological models using both simulated and real experimental data and estimate the parameters efficiently even in the absence of a priori knowledge about the parameters.

q-bio.QM↗

arXiv2011

Protein multi-scale organization through graph partitioning and robustness analysis: Application to the myosin-myosin light chain interaction

Despite the recognized importance of the multi-scale spatio-temporal organization of proteins, most computational tools can only access a limited spectrum of time and spatial scales, thereby ignoring the effects on protein behavior of the intricate coupling between the different scales. Starting from a physico-chemical atomistic network of interactions that encodes the structure of the protein, we introduce a methodology based on multi-scale graph partitioning that can uncover partitions and levels of organization of proteins that span the whole range of scales, revealing biological features occurring at different levels of organization and tracking their effect across scales. Additionally, we introduce a measure of robustness to quantify the relevance of the partitions through the generation of biochemically-motivated surrogate random graph models. We apply the method to four distinct conformations of myosin tail interacting protein, a protein from the molecular motor of the malaria parasite, and study properties that have been experimentally addressed such as the closing mechanism, the presence of conserved clusters, and the identification through computational mutational analysis of key residues for binding.

q-bio.BM↗

arXiv2011

Quantitative Measure of Hysteresis for Memristors Through Explicit Dynamics

We introduce a mathematical framework for the analysis of the input-output dynamics of externally driven memristors. We show that, under general assumptions, their dynamics comply with a Bernoulli differential equation and hence can be nonlinearly transformed into a formally solvable linear equation. The Bernoulli formalism, which applies to both charge- and flux-controlled memristors when either current- or voltage-driven, can, in some cases, lead to expressions of the output of the device as an explicit function of the input. We apply our framework to obtain analytical solutions of the i-v characteristics of the recently proposed model of the Hewlett-Packard memristor under three different drives without the need for numerical simulations. Our explicit solutions allow us to identify a dimensionless lumped parameter that combines device-specific parameters with properties of the input drive. This parameter governs the memristive behavior of the device and, consequently, the amount of hysteresis in the i-v. We proceed further by defining formally a quantitative measure for the hysteresis of the device for which we obtain explicit formulas in terms of the aforementioned parameter and we discuss the applicability of the analysis for the design and analysis of memristor devices.

cond-mat.mes-hall↗

arXiv2011

Role-similarity based comparison of directed networks

The widespread relevance of complex networks is a valuable tool in the analysis of a broad range of systems. There is a demand for tools which enable the extraction of meaningful information and allow the comparison between different systems. We present a novel measure of similarity between nodes in different networks as a generalization of the concept of self-similarity. A similarity matrix is assembled as the distance between feature vectors that contain the in and out paths of all lengths for each node. Hence, nodes operating in a similar flow environment are considered similar regardless of network membership. We demonstrate that this method has the potential to be influential in tasks such as assigning identity or function to uncharacterized nodes. In addition an innovative application of graph partitioning to the raw results extends the concept to the comparison of networks in terms of their underlying role-structure.

physics.soc-ph↗

arXiv2010

Transient dynamics around unstable periodic orbits in the generalized repressilator model

We study the spatio-temporal dynamics of the generalized repressilator, a system of coupled repressing genes arranged in a directed ring topology, and give analytical conditions for the emergence of a cascade of unstable periodic orbits (UPOs) that lead to reachable long-lived oscillating transients. Such transients dominate the finite time horizon dynamics that is relevant in confined, noisy environments such as bacterial cells (see our previous work [Strelkowa and Barahona, 2010]) and are therefore of interest for bioengineering and synthetic biology. We show that the family of unstable orbits possesses spatial symmetries and can also be understood in terms of traveling wave solutions of kink-like topological defects. The long-lived oscillatory transients correspond to the propagation of quasistable two-kink configurations that unravel over a long time. We also assess the similarities between the generalized repressilator model and other unidirectionally coupled electronic systems, such as magnetic flux gates, which have been implemented experimentally.

q-bio.MN↗

arXiv2010

Role-based similarity in directed networks

The widespread relevance of increasingly complex networks requires methods to extract meaningful coarse-grained representations of such systems. For undirected graphs, standard community detection methods use criteria largely based on density of connections to provide such representations. We propose a method for grouping nodes in directed networks based on the role of the nodes in the network, understood in terms of patterns of incoming and outgoing flows. The role groupings are obtained through the clustering of a similarity matrix, formed by the distances between feature vectors that contain the number of in and out paths of all lengths for each node. Hence nodes operating in a similar flow environment are grouped together although they may not themselves be densely connected. Our method, which includes a scale factor that reveals robust groupings based on increasingly global structure, provides an alternative criterion to uncover structure in networks where there is an implicit flow transfer in the system. We illustrate its application to a variety of data from ecology, world trade and cellular metabolism.

physics.soc-ph↗

arXiv2010

Robustness of Random Graphs Based on Natural Connectivity

Recently, it has been proposed that the natural connectivity can be used to efficiently characterise the robustness of complex networks. Natural connectivity quantifies the redundancy of alternative routes in a network by evaluating the weighted number of closed walks of all lengths and can be regarded as the average eigenvalue obtained from the graph spectrum. In this article, we explore the natural connectivity of random graphs both analytically and numerically and show that it increases linearly with the average degree. By comparing with regular ring lattices and random regular graphs, we show that random graphs are more robust than random regular graphs; however, the relationship between random graphs and regular ring lattices depends on the average degree and graph size. We derive the critical graph size as a function of the average degree, which can be predicted by our analytical results. When the graph size is less than the critical value, random graphs are more robust than regular ring lattices, whereas regular ring lattices are more robust than random graphs when the graph size is greater than the critical value.

cond-mat.stat-mech↗

arXiv2009

Robustness of Regular Graphs Based on Natural Connectivity

It has been recently proposed that the natural connectivity can be used to characterize efficiently the robustness of complex networks. The natural connectivity quantifies the redundancy of alternative routes in the network by evaluating the weighted number of closed walks of all lengths and can be seen as an average eigenvalue obtained from the graph spectrum. In this paper, we explore both analytically and numerically the natural connectivity of regular ring lattices and regular random graphs obtained through degree-preserving random rewirings from regular ring lattices. We reformulate the natural connectivity of regular ring lattices in terms of generalized Bessel functions and show that the natural connectivity of regular ring lattices is independent of network size and increases with monotonically. We also show that random regular graphs have lower natural connectivity, and are thus less robust, than regular ring lattices.

cond-mat.stat-mech↗

arXiv2009

Switchable Genetic Oscillator Operating in Quasi-Stable Mode

Ring topologies of repressing genes have qualitatively different long-term dynamics if the number of genes is odd (they oscillate) or even (they exhibit bistability). However, these attractors may not fully explain the observed behavior in transient and stochastic environments such as the cell. We show here that even repressilators possess quasi-stable, travelling-wave periodic solutions that are reachable, long-lived and robust to parameter changes. These solutions underlie the sustained oscillations observed in even rings in the stochastic regime, even if these circuits are expected to behave as switches. The existence of such solutions can also be exploited for control purposes: operation of the system around the quasi-stable orbit allows us to turn on and off the oscillations reliably and on demand. We illustrate these ideas with a simple protocol based on optical interference that can induce oscillations robustly both in the stochastic and deterministic regimes.

q-bio.MN↗

arXiv2009

Laplacian Dynamics and Multiscale Modular Structure in Networks

Most methods proposed to uncover communities in complex networks rely on their structural properties. Here we introduce the stability of a network partition, a measure of its quality defined in terms of the statistical properties of a dynamical process taking place on the graph. The time-scale of the process acts as an intrinsic parameter that uncovers community structures at different resolutions. The stability extends and unifies standard notions for community detection: modularity and spectral partitioning can be seen as limiting cases of our dynamic measure. Similarly, recently proposed multi-resolution methods correspond to linearisations of the stability at short times. The connection between community detection and Laplacian dynamics enables us to establish dynamically motivated stability measures linked to distinct null models. We apply our method to find multi-scale partitions for different networks and show that the stability can be computed efficiently for large networks with extended versions of current algorithms.

physics.soc-ph↗

arXiv2007

Perfect Sampling of the Master Equation for Gene Regulatory Networks

We present a Perfect Sampling algorithm that can be applied to the Master Equation of Gene Regulatory Networks (GRNs). The method recasts Gillespie's Stochastic Simulation Algorithm (SSA) in the light of Markov Chain Monte Carlo methods and combines it with the Dominated Coupling From The Past (DCFTP) algorithm to provide guaranteed sampling from the stationary distribution. We show how the DCFTP-SSA can be generically applied to genetic networks with feedback formed by the interconnection of linear enzymatic reactions and nonlinear Monod- and Hill-type elements. We establish rigorous bounds on the error and convergence of the DCFTP-SSA, as compared to the standard SSA, through a set of increasingly complex examples. Once the building blocks for GRNs have been introduced, the algorithm is applied to study properly averaged dynamic properties of two experimentally relevant genetic networks: the toggle switch, a two-dimensional bistable system, and the repressilator, a six-dimensional genetic oscillator.

q-bio.QM↗

arXiv2006

A Dynamical Model of Lipoprotein Metabolism

We present a dynamical model of lipoprotein metabolism derived by combining a cascading process in the blood stream and cellular level regulatory dynamics. We analyse the existence and stability of equilibria and show that this low-dimensional, nonlinear model exhibits bistability between a low and a high cholesterol state. A sensitivity analysis indicates that the intracellular concentration of cholesterol is robust to parametric variations while the plasma cholesterol can vary widely. We show how the dynamical response to time-dependent inputs can be used to diagnose the state of the system. We also establish the connection between parameters in the system and medical and genetic conditions.

q-bio.QM↗

arXiv2006

Stochastic kinetics of viral capsid assembly based on detailed protein structures

We present a generic computational framework for the simulation of viral capsid assembly which is quantitative and specific. Starting from PDB files containing atomic coordinates, the algorithm builds a coarse grained description of protein oligomers based on graph rigidity. These reduced protein descriptions are used in an extended Gillespie algorithm to investigate the stochastic kinetics of the assembly process. The association rates are obtained from a diffusive Smoluchowski equation for rapid coagulation, modified to account for water shielding and protein structure. The dissociation rates are derived by interpreting the splitting of oligomers as a process of graph partitioning akin to the escape from a multidimensional well. This modular framework is quantitative yet computationally tractable, with a small number of physically motivated parameters. The methodology is illustrated using two different viruses which are shown to follow quantitatively different assembly pathways. We also show how in this model the quasi-stationary kinetics of assembly can be described as a Markovian cascading process in which only a few intermediates and a small proportion of pathways are present. The observed pathways and intermediates can be related a posteriori to structural and energetic properties of the capsid oligomers.

q-bio.QM↗

arXiv2005

On the stability of the Kuramoto model of coupled nonlinear oscillators

We provide an analysis of the classic Kuramoto model of coupled nonlinear oscillators that goes beyond the existing results for all-to-all networks of identical oscillators. Our work is applicable to oscillator networks of arbitrary interconnection topology with uncertain natural frequencies. Using tools from spectral graph theory and control theory, we prove that for couplings above a critical value, the synchronized state is locally asymptotically stable, resulting in convergence of all phase differences to a constant value, both in the case of identical natural frequencies as well as uncertain ones. We further explain the behavior of the system as the number of oscillators grows to infinity.

math.OC↗

arXiv2001

Synchronization in small-world systems

We quantify the dynamical implications of the small-world phenomenon. We consider the generic synchronization of oscillator networks of arbitrary topology, and link the linear stability of the synchronous state to an algebraic condition of the Laplacian of the graph. We show numerically that the addition of random shortcuts produces improved network synchronizability. Further, we use a perturbation analysis to place the synchronization threshold in relation to the boundaries of the small-world region. Our results also show that small-worlds synchronize as efficiently as random graphs and hypercubes, and more so than standard constructive graphs.

nlin.CD↗

arXiv1998

Superconducting states and depinning transitions of Josephson ladders

We present analytical and numerical studies of pinned superconducting states of open-ended Josephson ladder arrays, neglecting inductances but taking edge effects into account. Treating the edge effects perturbatively, we find analytical approximations for three of these superconducting states -- the no-vortex, fully-frustrated and single-vortex states -- as functions of the dc bias current $I$ and the frustration $f$. Bifurcation theory is used to derive formulas for the depinning currents and critical frustrations at which the superconducting states disappear or lose dynamical stability as $I$ and $f$ are varied. These results are combined to yield a zero-temperature stability diagram of the system with respect to $I$ and $f$. To highlight the effects of the edges, we compare this dynamical stability diagram to the thermodynamic phase diagram for the infinite system where edges have been neglected. We briefly indicate how to extend our methods to include self-inductances.

cond-mat.supr-con↗