skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Constrained Langevin approximation for the Togashi-Kaneko model of autocatalytic reactions
The Togashi Kaneko model (TK model) is a simple stochastic reaction network that displays discreteness-induced transitions between meta-stable patterns. Here we study a constrained Langevin approximation (CLA) of this model. This CLA, derived under the classical scaling, is an obliquely reflected diffusion process on the positive orthant and hence respects the constraint that chemical concentrations are never negative. We show that the CLA is a Feller process, is positive Harris recurrent and converges exponentially fast to the unique stationary distribution. We also characterize the stationary distribution and show that it has finite moments. In addition, we simulate both the TK model and its CLA in various dimensions. For example, we describe how the TK model switches between meta-stable patterns in dimension six. Our simulations suggest that, when the volume of the vessel in which all of the reactions that take place is large, the CLA is a good approximation of the TK model in terms of both the stationary distribution and the transition times between patterns.  more » « less
Award ID(s):
2152103 2534011
PAR ID:
10421613
Author(s) / Creator(s):
 ;  ;
Date Published:
Journal Name:
Mathematical Biosciences and Engineering
Volume:
20
Issue:
3
ISSN:
1551-0018
Page Range / eLocation ID:
4322 to 4352
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract Continuous-time Markov chains are frequently used to model the stochastic dynamics of (bio)chemical reaction networks. However, except in very special cases, they cannot be analyzed exactly. Additionally, simulation can be computationally intensive. An approach to address these challenges is to consider a more tractable diffusion approximation. Leite and Williams (Ann. Appl. Prob.29, 2019) proposed a reflected diffusion as an approximation for (bio)chemical reaction networks, which they called the constrained Langevin approximation (CLA) as it extends the usual Langevin approximation beyond the first time some chemical species becomes zero in number. Further explanation and examples of the CLA can be found in Anderson et al.( SIAM Multiscale Modeling Simul.17, 2019). In this paper, we extend the approximation of Leite and Williams to (nearly) density-dependent Markov chains, as a first step to obtaining error estimates for the CLA when the diffusion state space is one-dimensional, and we provide a bound for the error in a strong approximation. We discuss some applications for chemical reaction networks and epidemic models, and illustrate these with examples. Our method of proof is designed to generalize to higher dimensions, provided there is a Lipschitz Skorokhod map defining the reflected diffusion process. The existence of such a Lipschitz map is an open problem in dimensions more than one. 
    more » « less
  2. Abstract Geostatistical modeling for continuous point‐referenced data has extensively been applied to neuroimaging because it produces efficient and valid statistical inference. However, diffusion tensor imaging (DTI), a neuroimaging technique characterizing the brain's anatomical structure, produces a positive‐definite (p.d.) matrix for each voxel. Currently, only a few geostatistical models for p.d. matrices have been proposed because introducing spatial dependence among p.d. matrices properly is challenging. In this paper, we use the spatial Wishart process, a spatial stochastic process (random field), where each p.d. matrix‐variate random variable marginally follows a Wishart distribution, and spatial dependence between random matrices is induced by latent Gaussian processes. This process is valid on an uncountable collection of spatial locations and is almost‐surely continuous, leading to a reasonable way of modeling spatial dependence. Motivated by a DTI data set of cocaine users, we propose a spatial matrix‐variate regression model based on the spatial Wishart process. A problematic issue is that the spatial Wishart process has no closed‐form density function. Hence, we propose an approximation method to obtain a feasible Cholesky decomposition model, which we show to be asymptotically equivalent to the spatial Wishart process model. A local likelihood approximation method is also applied to achieve fast computation. The simulation studies and real data application demonstrate that the Cholesky decomposition process model produces reliable inference and improved performance, compared to other methods. 
    more » « less
  3. Abstract The standardized precipitation index (SPI) measures meteorological drought relative to historical climatology by normalizing accumulated precipitation. Longer record lengths improve parameter estimates, but these longer records may include signals of anthropogenic climate change and multidecadal natural climate fluctuations. Historically, climate nonstationarity has either been ignored or incorporated into the SPI using a quasi-stationary reference period, such as the WMO 30-yr period. This study introduces and evaluates a novel nonstationary SPI model based on Bayesian splines, designed to both improve parameter estimates for stationary climates and to explicitly incorporate nonstationarity. Using synthetically generated precipitation, this study directly compares the proposed Bayesian SPI model with existing SPI approaches based on maximum likelihood estimation for stationary and nonstationary climates. The proposed model not only reproduced the performance of existing SPI models but improved upon them in several key areas: reducing parameter uncertainty and noise, simultaneously modeling the likelihood of zero and positive precipitation, and capturing nonlinear trends and seasonal shifts across all parameters. Further, the fully Bayesian approach ensures all parameters have uncertainty estimates, including zero precipitation likelihood. The study notes that the zero precipitation parameter is too sensitive and could be improved in future iterations. The study concludes with an application of the proposed Bayesian nonstationary SPI model for nine gauges across a range of hydroclimate zones in the United States. Results of this experiment show that the model is stable and reproduces nonstationary patterns identified in prior studies, while also indicating new findings, particularly for the shape and zero precipitation parameters. Significance StatementWe typically measure how bad a drought is by comparing it with the historical record. With long-term changes in climate or other factors, however, a typical drought today may not have been typical in the recent past. The purpose of this study is to build a model that measures drought relative to a changing climate. Our results confirm that the model is accurate and captures previously noted climate change patterns—a drier western United States, a wetter eastern United States, earlier summer weather, and more extreme wet seasons. This is significant because this model can improve drought measurement and identify recent changes in drought. 
    more » « less
  4. Summary This paper presents a method for determining the relevant buses for reduced models of power grid networks described by systems of differential‐algebraic equations and for constructing the coarse‐grain dynamical power grid systems. To determine these buses, time integration of differential equations is not needed, but rather, a stationary system is analyzed. However, unlike stationary‐system approaches that determine only coarse generator buses by approximating the coherency of the generators, the proposed method analyzes the graph Laplacian associated with the admittance matrix. The buses for the reduced model are chosen to ensure that the graph Laplacian of the reduced model is an accurate approximation to the graph Laplacian of the full system. Both load and generator buses can be selected by this procedure since the Laplacian is defined on all the buses. The basis of this proposed approach lies in the close relationship between the synchrony of the system and the spectral properties of this Laplacian, that is, conditions on the spectrum of this Laplacian that almost surely guarantee the synchrony of the system. Thus, assuming that the full system is in synchrony, our strategy is to coarsen the full‐system Laplacian such that the coarse Laplacian possesses good approximation to these spectral conditions. Accurate approximation to these conditions then can better lead to synchronous reduced models. The coarsened Laplacian is defined on coarse degrees of freedom (DOFs), which are associated with the relevant buses to include in the reduced model. To realize this coarse DOF selection, we use multigrid coarsening techniques based on compatible relaxation. Multigrid is the natural choice since it has been extensively used to coarsen Laplacians arising from discretizations of elliptic partial differential equations and is actively being extended to graph Laplacians. With the selection of the buses for the reduced model, the reduced model is completed by constructing the coarse admittance matrix values and other physical parameters using standard power grid techniques or by using the intergrid operators constructed in the coarse DOFs selection process. Unfortunately, the selection of the coarse buses and the coarsening of the admittance matrix and physical parameters are not sufficient by themselves to produce a stable reduced system. To achieve a stable system, system structures of the fine‐grain model must be preserved in the reduced model. We analyze this to develop a multigrid methodology for constructing stable reduced models of power grid systems. Numerical examples are presented to validate this methodology. 
    more » « less
  5. The past few decades have seen robust research on questions regarding the existence, form, and properties of stationary distributions of stochastically modeled reaction networks. When a stochastic model admits a stationary distribution an important practical question is: what is the rate of convergence of the distribution of the process to the stationary distribution? With the exception of [1] pertaining to models whose state space is restricted to the non-negative integers, there has been a notable lack of results related to this rate of convergence in the reaction network literature. This paper begins the process of filling that hole in our understanding. In this paper, we characterize this rate of convergence, via the mixing times of the processes, for two classes of stochastically modeled reaction networks. Specifically, by applying a Foster-Lyapunov criteria we establish exponential ergodicity for two classes of reaction networks introduced in [2]. Moreover, we show that for one of the classes the convergence is uniform over the initial state. 
    more » « less