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Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…

Numerical Analysis · Mathematics 2015-12-29 Jaydeep P. Bardhan , Matthew G. Knepley

Macroscopic dynamical descriptions of complex physical systems are crucial for understanding and controlling material behavior. With the growing availability of data and compute, machine learning has become a promising alternative to…

Computational Physics · Physics 2026-03-24 Mengyi Chen , Pengru Huang , Kostya S. Novoselov , Qianxiao Li

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering…

Computational Physics · Physics 2020-12-02 Ravi G. Patel , Nathaniel A. Trask , Mitchell A. Wood , Eric C. Cyr

Conservation laws are an inherent feature in many systems modeling real world phenomena, in particular, those modeling biological and chemical systems. If the form of the underlying dynamical system is known, linear algebra and algebraic…

Numerical Analysis · Mathematics 2024-03-11 Tracey Oellerich , Maria Emelianenko

Electromagnetic simulations of complex geologic settings are computationally expensive. One reason for this is the fact that a fine mesh is required to accurately discretize the electrical conductivity model of a given setting. This…

Numerical Analysis · Mathematics 2022-03-29 Luz Angelica Caudillo-Mata , Eldad Haber , Lindsey J. Heagy , Christoph Schwarzbach

Numerical simulations provide key insights into many physical, real-world problems. However, while these simulations are solved on a full 3D domain, most analysis only require a reduced set of metrics (e.g. plane-level concentrations). This…

Computational Physics · Physics 2025-11-27 Tingkai Xue , Chin Chun Ooi , Zhengwei Ge , Fong Yew Leong , Hongying Li , Chang Wei Kang

Ordinary differential equation models are nowadays widely used for the mechanistic description of biological processes and their temporal evolution. These models typically have many unknown and non-measurable parameters, which have to be…

Quantitative Methods · Quantitative Biology 2021-05-27 Alejandro F. Villaverde , Dilan Pathirana , Fabian Fröhlich , Jan Hasenauer , Julio R. Banga

With the birth of quantum information science, many tools have been developed to deal with many-body quantum systems. Although a complete description of such systems is desirable, it will not always be possible to achieve this goal, as the…

Quantum Physics · Physics 2020-12-01 Cristhiano Duarte , Barbara Amaral , Marcelo Terra Cunha , Matthew Leifer

Tissue dynamics and collective cell motion are crucial biological processes. Their biological machinery is mostly known, and simulation models such as the "active vertex model" (AVM) exist and yield reasonable agreement with experimental…

Soft Condensed Matter · Physics 2023-11-16 Gloria Triguero-Platero , Falko Ziebert , Luis L. Bonilla

High-dimensional recordings of dynamical processes are often characterized by a much smaller set of effective variables, evolving on low-dimensional manifolds. Identifying these latent dynamics requires solving two intertwined problems:…

Machine Learning · Computer Science 2026-01-21 Manuel Hinz , Maximilian Mauel , Patrick Seifner , David Berghaus , Kostadin Cvejoski , Ramses J. Sanchez

We study classical stochastic systems with discrete states, coupled to switching external environments. For fast environmental processes we derive reduced dynamics for the system itself, focusing on corrections to the adiabatic limit of…

Statistical Mechanics · Physics 2019-03-27 Peter G. Hufton , Yen Ting Lin , Tobias Galla

The behavior of many dynamical systems follow complex, yet still unknown partial differential equations (PDEs). While several machine learning methods have been proposed to learn PDEs directly from data, previous methods are limited to…

Machine Learning · Computer Science 2021-02-01 Valerii Iakovlev , Markus Heinonen , Harri Lähdesmäki

Critical points separate distinct dynamical regimes of complex systems, often delimiting functional or macroscopic phases in which the system operates. However, the long-term prediction of critical regimes and behaviors is challenging given…

Physics and Society · Physics 2025-04-15 Xiangrong Wang , Dan Lu , Zongze Wu , Weina Xu , Hongru Hou , Yanqing Hu , Yamir Moreno

The recent interest in human dynamics has led researchers to investigate the stochastic processes that explain human behaviour in various contexts. Here we propose a generative model to capture the dynamics of survival analysis,…

Physics and Society · Physics 2015-09-30 Trevor Fenner , Mark Levene , George Loizou

We formulate an effective-description framework for the dynamics of open quantum systems by extending the time-coarse-graining formalism to open systems. Our coarse-graining procedure efficiently removes high-frequency processes which are…

Quantum Physics · Physics 2018-01-17 Chang-Woo Lee , Changsuk Noh , Jaewan Kim

Various coarse-grained models have been proposed to study the spreading dynamics in the network. A microscopic theory is needed to connect the spreading dynamics with the individual behaviors. In this letter, we unify the description of…

Statistical Mechanics · Physics 2021-04-14 Jin-Fu Chen , Yi-Mu Du , Hui Dong , Chang-Pu Sun

The central goal of a dynamical theory of evolution is to abstract the mean evolutionary trajectory in the trait space by considering ecological processes at the level of the individual. In this work, we develop such a theory for a new…

Populations and Evolution · Quantitative Biology 2020-03-25 Vaibhav Madhok

Although deep-learning has been successfully applied in a variety of science and engineering problems owing to its strong high-dimensional nonlinear mapping capability, it is of limited use in scientific knowledge discovery. In this work,…

Computational Physics · Physics 2021-11-19 Junsheng Zeng , Hao Xu , Yuntian Chen , Dongxiao Zhang

We address the problem of safely learning controlled stochastic dynamics from discrete-time trajectory observations, ensuring system trajectories remain within predefined safe regions during both training and deployment. Safety-critical…

Machine Learning · Statistics 2026-02-03 Luc Brogat-Motte , Alessandro Rudi , Riccardo Bonalli

We present a stochastic model of population dynamics exploiting cross-sectional data in trend analysis and forecasts for groups and cohorts of a population. While sharing the convenient features of classic Markov models, it alleviates the…

Applications · Statistics 2017-06-20 Agnieszka Werpachowska , Roman Werpachowski
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