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We focus on an efficient approach for quantification of uncertainty in complex chemical reaction networks with a large number of uncertain parameters. Parameter dimension reduction is accomplished by computing an active subspace that…

化学物理 · 物理学 2019-03-11 M. Vohra , A. Alexanderian , H. Guy , S. Mahadevan

Biomolecular condensates play essential roles in cellular processes, and recent efforts have focused on understanding their assembly and rational design principles. In this study, we have employed an explicit-solvent minimal statistical…

软凝聚态物质 · 物理学 2026-05-26 Siddhartha Roy , Rakesh S. Singh

The most widely used technology to identify the proteins present in a complex biological sample is tandem mass spectrometry, which quickly produces a large collection of spectra representative of the peptides (i.e., protein subsequences)…

定量方法 · 定量生物学 2019-09-06 John T. Halloran , David M. Rocke

The bacterium {\em Bacilus subtilis} frequently forms biofilms at the interface between the culture medium and the air. We develop a mathematical model that couples a description of bacteria as individual discrete objects to the standard…

细胞行为 · 定量生物学 2015-12-16 Maxime Ardré , Hervé Henry , Carine Douarche , Mathis Plapp

Reaction-diffusion models are widely used to study spatially-extended chemical reaction systems. In order to understand how the dynamics of a reaction-diffusion model are affected by changes in its input parameters, efficient methods for…

定量方法 · 定量生物学 2017-03-08 Christopher Lester , Christian A. Yates , Ruth E. Baker

This note provides an introduction to molecular dynamics, the computational implementation of the theory of statistical physics. The discussion is focused on the properties of Langevin dynamics, a degenerate stochastic differential equation…

偏微分方程分析 · 数学 2021-12-16 Gabriel Stoltz

A probabilistic model describes a system in its observational state. In many situations, however, we are interested in the system's response under interventions. The class of structural causal models provides a language that allows us to…

统计方法学 · 统计学 2020-01-20 Jonas Peters , Stefan Bauer , Niklas Pfister

We analyze a class of chemical reaction networks under mass-action kinetics and involving multiple time-scales, whose deterministic and stochastic models display qualitative differences. The networks are inspired by gene-regulatory…

分子网络 · 定量生物学 2018-01-30 Tomislav Plesa , Radek Erban , Hans G. Othmer

Single molecular motor kinesin harnesses thermal and non-thermal fluctuations to transport various cargoes along microtubules, converting chemical energy to directed movements. To describe the non-thermal fluctuations generated by the…

软凝聚态物质 · 物理学 2022-12-20 Mengkai Feng , Zhonghuai Hou

We study an excitable active rotator with slowly adapting nonlinear feedback and noise. Depending on the adaptation and the noise level, this system may display noise-induced spiking, noise-perturbed oscillations, or stochastic busting. We…

适应与自组织系统 · 物理学 2020-08-26 Igor Franović , Serhiy Yanchuk , Sebastian Eydam , Iva Bačić , Matthias Wolfrum

In this work, we consider the problem of identifying an unknown linear dynamical system given a finite hypothesis class. In particular, we analyze the effect of the excitation input on the sample complexity of identifying the true system…

系统与控制 · 电气工程与系统科学 2026-01-30 Nicolas Chatzikiriakos , Kevin Jamieson , Andrea Iannelli

Many systems in physics, engineering, and biology exhibit multiscale stochastic dynamics, where low-dimensional slow variables evolve under the influence of high-dimensional fast processes. In practice, observations are often limited to a…

机器学习 · 统计学 2026-05-12 Anan Saha , Arnab Ganguly

Biological systems, with many interacting components, face high-dimensional environmental fluctuations, ranging from diverse nutrient deprivations to toxins, drugs, and physical stresses. Yet, many biological control mechanisms are `simple'…

生物物理 · 物理学 2025-07-17 Christopher Joel Russo , Kabir Husain , Rama Ranganathan , David Pincus , Arvind Murugan

A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system, and have generally been calculated using either predefined…

计算物理 · 物理学 2019-07-05 Emir Kocer , Jeremy K. Mason , Hakan Erturk

The run and tumble process is well established in order to describe the movement of bacteria in response to a chemical stimulus. However the relation between the tumbling rate and the internal state of bacteria is poorly understood. The…

偏微分方程分析 · 数学 2021-08-27 Benoit Perthame , Weiran Sun , Min Tang , Shugo Yasuda

Advances in nanotechnology have allowed scientists to study biological processes on an unprecedented nanoscale molecule-by-molecule basis, opening the door to addressing many important biological problems. A phenomenon observed in recent…

应用统计 · 统计学 2008-07-25 S. C. Kou

Recently, a large number of studies have been carried out on the early signatures of sudden regime shifts in systems as diverse as ecosystems, financial markets, population biology and complex diseases. Signatures of regime shifts in gene…

分子网络 · 定量生物学 2015-06-12 Mainak Pal , Amit Kumar Pal , Sayantari Ghosh , Indrani Bose

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

定量方法 · 定量生物学 2015-10-05 Christian A. Yates , Mark B. Flegg

For cellular biochemical reaction systems where the numbers of molecules is small, significant noise is associated with chemical reaction events. This molecular noise can give rise to behavior that is very different from the predictions of…

分子网络 · 定量生物学 2009-11-13 Matthew Scott , Terence Hwa , Brian Ingalls

Uncertainty quantification plays an important role in biomedical engineering as measurement data is often unavailable and literature data shows a wide variability. Using state-of-the-art methods one encounters difficulties when the number…

计算工程、金融与科学 · 计算机科学 2017-09-26 Ulrich Römer , Christian Schmidt , Ursula van Rienen , Sebastian Schöps