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It is well known that the kinetics of an intracellular biochemical network is stochastic. This is due to intrinsic noise arising from the random timing of biochemical reactions in the network as well as due to extrinsic noise stemming from…

Subcellular Processes · Quantitative Biology 2019-06-05 Emma M. Keizer , Bjorn Bastian , Robert W. Smith , Ramon Grima , Christian Fleck

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative…

Machine Learning · Computer Science 2023-06-12 Kirill Neklyudov , Rob Brekelmans , Daniel Severo , Alireza Makhzani

The ability to discover physical laws and governing equations from data is one of humankind's greatest intellectual achievements. A quantitative understanding of dynamic constraints and balances in nature has facilitated rapid development…

Dynamical Systems · Mathematics 2016-04-27 Steven L. Brunton , Joshua L. Proctor , J. Nathan Kutz

Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is demonstrated that the virtual dynamics case that we proposed…

Statistical Mechanics · Physics 2018-03-20 Dezhang Li , Zifei Chen , Zhijun Zhang , Jian Liu

Complex systems are often characterized by the interplay of multiple interconnected dynamical processes operating across a range of temporal scales. This phenomenon is widespread in both biological and artificial scenarios, making it…

Statistical Mechanics · Physics 2025-09-08 Giorgio Nicoletti , Daniel M. Busiello

Modeling biological processes is a highly demanding task because not all processes are fully understood. Mathematical models allow us to test hypotheses about possible mechanisms of biological processes. The mathematical mechanisms…

Numerical Analysis · Mathematics 2023-12-11 Cordula Reisch , Hannah Burmester

This paper is centered around the approximation of dynamical systems by means of Gaussian processes. To this end, trajectories of such systems must be collected to be used as training data. The measurements of these trajectories are…

Systems and Control · Electrical Eng. & Systems 2025-04-02 Tobias M. Wolff , Victor G. Lopez , Matthias A. Müller

Nonlinear dynamic models are widely used for characterizing functional forms of processes that govern complex biological pathway systems. Over the past decade, validation and further development of these models became possible due to data…

Methodology · Statistics 2019-08-13 Itai Dattner , Shota Gugushvili , Harold Ship , Eberhard O. Voit

Machine learning approaches informed by physics have offered new insights into the discovery of constitutive models from data, helping overcome some limitations of traditional constitutive modelling while reducing the cost of otherwise…

Materials Science · Physics 2026-05-19 Filippo Masi

Systems biology and whole-cell modelling are demanding increasingly comprehensive mathematical models of cellular biochemistry. These models require the development of simplified models of specific processes which capture essential…

Quantitative Methods · Quantitative Biology 2020-08-03 Peter J. Gawthrop , Peter Cudmore , Edmund J. Crampin

Experiments on particles' motion in living cells show that it is often subdiffusive. This subdiffusion may be due to trapping, percolation-like structures, or viscoelatic behavior of the medium. While the models based on trapping (leading…

Disordered Systems and Neural Networks · Physics 2015-06-11 Yasmine Meroz , Igor M. Sokolov , Joseph Klafter

Learning stochastic models of dynamical systems from observed data is of interest in many scientific fields. Here, we propose a new method for this task within the family of dynamical variational autoencoders. The proposed double projection…

Machine Learning · Computer Science 2026-03-10 Viktor Sip , Martin Breyton , Spase Petkoski , Viktor Jirsa

A system responding to a stochastic driving signal can be interpreted as computing, by means of its dynamics, an implicit model of the environmental variables. The system's state retains information about past environmental fluctuations,…

Statistical Mechanics · Physics 2012-10-09 Susanne Still , David A. Sivak , Anthony J. Bell , Gavin E. Crooks

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

One important problem in constructing the reduced dynamics of molecular systems is the accurate modeling of the non-Markovian behavior arising from the dynamics of unresolved variables. The main complication emerges from the lack of scale…

Computational Physics · Physics 2023-02-01 Zhiyuan She , Pei Ge , Huan Lei

Bioprocess mechanistic modeling is essential for advancing intelligent digital twin representation of biomanufacturing, yet challenges persist due to complex intracellular regulation, stochastic system behavior, and limited experimental…

Machine Learning · Statistics 2025-05-07 Keilung Choy , Wei Xie , Keqi Wang

Likelihood-based inference in stochastic non-linear dynamical systems, such as those found in chemical reaction networks and biological clock systems, is inherently complex and has largely been limited to small and unrealistically simple…

Computation · Statistics 2024-07-08 Ben Swallow , David A. Rand , Giorgos Minas

Learning kinetic systems from data is one of the core challenges in many fields. Identifying stable models is essential for the generalization capabilities of data-driven inference. We introduce a computationally efficient framework, called…

Machine Learning · Statistics 2019-12-02 Niklas Pfister , Stefan Bauer , Jonas Peters

Stochastic dynamical systems are ubiquitous in physics, biology, and engineering, where both deterministic drifts and random fluctuations govern system behavior. Learning these dynamics from data is particularly challenging in…

Numerical Analysis · Mathematics 2026-03-10 Ziheng Guo , Igor Cialenco , Ming Zhong

Stochastic dynamic models have been extensively used for the description of processes with uncertainties arising in the operations research, behavioral sciences, and many other application areas. A large class of the problems from these…

Numerical Analysis · Mathematics 2021-06-01 Thi Kim Thoa Thieu , Roderick Melnik