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The development of mechanistic models of biological systems is a central part of Systems Biology. One major task in developing these models is the inference of the correct model parameters. Due to the size of most realistic models and their…

Quantitative Methods · Quantitative Biology 2016-06-28 Jan Mikelson , Mustafa Khammash

Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial…

Molecular Networks · Quantitative Biology 2012-07-06 Daniel Kaschek , Jens Timmer

Periodic patterns in dynamical behaviours of biological models described by simple form differential delay equations are studied. Mathematical models are given by a class of scalar delay differential equations with a multiplicative time…

Dynamical Systems · Mathematics 2025-10-01 A. Ivanov , S. Shelyag

We address the problem of parameter estimation in models of systems biology from noisy observations. The models we consider are characterized by simultaneous deterministic nonlinear differential equations whose parameters are either taken…

Machine Learning · Statistics 2017-05-01 Xin Liu , Mahesan Niranjan

Researchers develop models to explain the unknowns. These models typically involve parameters that capture tangible quantities, the estimation of which is desired. Parameter identifiability investigates the recoverability of the unknown…

Optimization and Control · Mathematics 2024-07-01 Anuththara Sarathchandra , Azadeh Aghaeeyan , Pouria Ramazi

We consider initial value problems of nonlinear dynamical systems, which include physical parameters. A quantity of interest depending on the solution is observed. A discretisation yields the trajectories of the quantity of interest in many…

Machine Learning · Computer Science 2021-01-13 Roland Pulch , Maha Youssef

Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

Abstraction is a powerful idea widely used in science, to model, reason and explain the behavior of systems in a more tractable search space, by omitting irrelevant details. While notions of abstraction have matured for deterministic…

Artificial Intelligence · Computer Science 2020-01-14 Vaishak Belle

Systems biology models are useful models of complex biological systems that may require a large amount of experimental data to fit each model's parameters or to approximate a likelihood function. These models range from a few to thousands…

Quantitative Methods · Quantitative Biology 2024-07-12 Vincent D. Zaballa , Elliot E. Hui

A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy…

Biological Physics · Physics 2011-08-08 Juan R. Perilla , Thomas B. Woolf

We consider the problem of selecting deterministic or stochastic models for a biological, ecological, or environmental dynamical process. In most cases, one prefers either deterministic or stochastic models as candidate models based on…

Applications · Statistics 2015-10-26 Libo Sun , Chihoon Lee , Jennifer A. Hoeting

To celebrate Hans Frauenfelder's achievements, we examine energy(-like) "landscapes" for complex living systems. Energy landscapes summarize all possible dynamics of some physical systems. Energy(-like) landscapes can explain some…

Quantitative Methods · Quantitative Biology 2021-10-18 Lars Koopmans , Hyun Youk

Like with most large-scale systems, the evaluation of quantitative properties of collective adaptive systems is an important issue that crosscuts all its development stages, from design (in the case of engineered systems) to runtime…

Systems and Control · Computer Science 2016-07-12 Mirco Tribastone

The goal of this paper is to demonstrate the general modeling and practical simulation of random equations with mixture model parameter random variables. Random equations, understood as stationary (non-dynamical) equations with parameters…

Computation · Statistics 2025-07-31 Wolfgang Hoegele

Fitting a simplifying model with several parameters to real data of complex objects is a highly nontrivial task, but enables the possibility to get insights into the objects physics. Here, we present a method to infer the parameters of the…

Data Analysis, Statistics and Probability · Physics 2018-12-21 Johannes Oberpriller , T. A. Enßlin

Measurement in biological systems became a subject of concern as a consequence of numerous reports on limited reproducibility of experimental results. To reveal origins of this inconsistency, we have examined general features of biological…

Other Quantitative Biology · Quantitative Biology 2017-04-03 Dalibor Štys , Jan Urban , Renata Rychtáriková , Anna Zhyrova , Petr Císař

Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is…

Chemical Physics · Physics 2015-06-22 Christian R. Schwantes , Robert T. McGibbon , Vijay S. Pande

Mathematical modelling allows us to concisely describe fundamental principles in biology. Analysis of models can help to both explain known phenomena, and predict the existence of new, unseen behaviours. Model analysis is often a complex…

Quantitative Methods · Quantitative Biology 2020-08-13 Mark Blyth , Ludovic Renson , Lucia Marucci

The growing complexity of modern practical problems puts high demands on the mathematical modelling. Given that various models can be used for modelling one physical phenomenon, the role of model comparison and model choice becomes…

Category Theory · Mathematics 2021-08-16 Dmitrii Legatiuk

Mathematical methods provide useful framework for the analysis and design of complex systems. In newer contexts such as biology, however, there is a need to both adapt existing methods as well as to develop new ones. Using a combination of…

Molecular Networks · Quantitative Biology 2017-12-06 Abhishek Dey , Shaunak Sen