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Molecular dynamics simulations are widely used across chemistry, physics, and biology, providing quantitative insight into complex processes with atomic detail. However, their limited timescale of a few microseconds is a significant…

Chemical Physics · Physics 2025-04-10 Ofir Blumer , Barak Hirshberg

Intracellular transport processes are essential to the healthy development of many organisms as well as more generally to healthy cellular function. The complex dynamics and interactions between protein molecules and filaments on different…

Dynamical Systems · Mathematics 2022-07-27 Maria-Veronica Ciocanel

We posit that hippocampal place cells encode information about future locations under a transition distribution observed as an agent explores a given (physical or conceptual) space. The encoding of information about the current location,…

Machine Learning · Computer Science 2019-06-07 Mariano Tepper

There is a great need for accurate and efficient computational approaches that can account for both the discrete and stochastic nature of chemical interactions as well as spatial inhomogeneities and diffusion. This is particularly true in…

Chemical Physics · Physics 2010-03-16 Krishna A. Iyengar , Leonard A. Harris , Paulette Clancy

The Calculus of Wrapped Compartments (CWC) is a variant of the Calculus of Looping Sequences (CLS). While keeping the same expressiveness, CWC strongly simplifies the development of automatic tools for the analysis of biological systems.…

Computational Engineering, Finance, and Science · Computer Science 2010-06-29 Mario Coppo , Ferruccio Damiani , Maurizio Drocco , Elena Grassi , Angelo Troina

Entity alignment has always had significant uses within a multitude of diverse scientific fields. In particular, the concept of matching entities across networks has grown in significance in the world of social science as communicative…

Social and Information Networks · Computer Science 2020-04-21 James Flamino , Christopher Abriola , Ben Zimmerman , Zhongheng Li , Joel Douglas

Spatial stochastic molecular simulations in biology are limited by the intense computation required to track molecules in space either in a discrete time or discrete space framework, meaning that the serial limit has already been reached in…

Quantitative Methods · Quantitative Biology 2016-08-24 I. Hepburn , W. Chen , E. De Schutter

Particle-In-Cell codes are widely used for plasma physics simulations. It is often the case that particles within a computational cell need to be split to improve the statistics or, in the case of non-uniform meshes, to avoid the…

Computational Physics · Physics 2021-04-22 Roch Smets , Nicolas Aunais , ANdrea Ciardi , Matthieu Drouin , Martin Campos-Pino , Philip Deegan

We present new algorithms and fast implementations to find efficient approximations for modelling stochastic processes. For many numerical computations it is essential to develop finite approximations for stochastic processes. While the…

Optimization and Control · Mathematics 2020-12-03 Kipngeno Benard Kirui , Georg Ch. Pflug , Alois Pichler

Cell migration plays essential roles in development, wound healing, diseases, and in the maintenance of a complex body. Experiments in collective cell migration generally measure quantities such as cell displacement and velocity. The…

In the context of MDPs with high-dimensional states, downstream tasks are predominantly applied on a compressed, low-dimensional representation of the original input space. A variety of learning objectives have therefore been used to attain…

Machine Learning · Computer Science 2024-01-04 Jacob E. Kooi , Mark Hoogendoorn , Vincent François-Lavet

Agent-based models capture heterogeneity among individuals in a population and are widely used in studies of multi-cellular systems, disease, epidemics and demography to name a few. However, existing frameworks consider discrete time-step…

Populations and Evolution · Quantitative Biology 2024-10-03 Paul Piho , Philipp Thomas

The equation which describes a particle diffusing in a logarithmic potential arises in diverse physical problems such as momentum diffusion of atoms in optical traps, condensation processes, and denaturation of DNA molecules. A detailed…

Statistical Mechanics · Physics 2015-06-03 Ori Hirschberg , David Mukamel , Gunter M. Schütz

Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-20 Jorge Ejarque , Pau Andrio , Adam Hospital , Javier Conejero , Daniele Lezzi , Josep LL. Gelpi , Rosa M. Badia

Change point analyses are concerned with identifying positions of an ordered stochastic process that undergo abrupt local changes of some underlying distribution. When multiple processes are observed, it is often the case that information…

Methodology · Statistics 2022-01-21 José J. Quinlan , Garritt L. Page , Luis M. Castro

We introduce an approach to inferring the causal architecture of stochastic dynamical systems that extends rate distortion theory to use causal shielding---a natural principle of learning. We study two distinct cases of causal inference:…

Information Theory · Computer Science 2010-08-23 Susanne Still , James P. Crutchfield , Christopher J. Ellison

Memories are stored, retained, and recollected through complex, coupled processes operating on multiple timescales. To understand the computational principles behind these intricate networks of interactions we construct a broad class of…

Neurons and Cognition · Quantitative Biology 2015-07-29 Marcus K. Benna , Stefano Fusi

By estimating 3D shape and instances from a single view, we can capture information about an environment quickly, without the need for comprehensive scanning and multi-view fusion. Solving this task for composite scenes (such as object…

Computer Vision and Pattern Recognition · Computer Science 2021-09-28 Zoe Landgraf , Raluca Scona , Tristan Laidlow , Stephen James , Stefan Leutenegger , Andrew J. Davison

We survey different perspectives on the stochastic localization process of Eldan, a powerful construction that has had many exciting recent applications in high-dimensional probability and algorithm design. Unlike prior surveys on this…

Probability · Mathematics 2026-01-21 Bobby Shi , Kevin Tian , Matthew S. Zhang

We present local distributed, stochastic algorithms for \emph{alignment} in self-organizing particle systems (SOPS) on two-dimensional lattices, where particles occupy unique sites on the lattice, and particles can make spatial moves to…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-15 Hridesh Kedia , Shunhao Oh , Dana Randall