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Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

Recent advances in digital microfluidic (DMF) technologies offer a promising platform for a wide variety of biochemical applications, such as DNA analysis, automated drug discovery, and toxicity monitoring. For on-chip implementation of…

Emerging Technologies · Computer Science 2022-11-10 Sukanta Bhattacharjee , Ansuman Banerjee , Krishnendu Chakrabarty , Bhargab B. Bhattacharya

The dynamics of ecological as well as chemical systems may depend on heterogeneous configurations. Heterogeneity in reaction-diffusion systems often increase modelling and simulating difficulties when non-linear effects are present. One…

Physics and Society · Physics 2019-08-27 Orlando Silva

We describe a system that simplifies the process of debugging programs produced by computer-aided parallelization tools. The system uses relative debugging techniques to compare serial and parallel executions in order to show where the…

Software Engineering · Computer Science 2007-05-23 Robert Hood , Gabriele Jost

Motivation: Agent-based modeling is an indispensable tool for studying complex biological systems. However, existing simulators do not always take full advantage of modern hardware and often have a field-specific software design. Results:…

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule…

Machine Learning · Computer Science 2026-03-10 Zihao Li , Zhichen Zeng , Xiao Lin , Feihao Fang , Yanru Qu , Zhe Xu , Zhining Liu , Xuying Ning , Tianxin Wei , Ge Liu , Hanghang Tong , Jingrui He

Heterogeneity is a dominant factor in the behaviour of many biological processes. Despite this, it is common for mathematical and statistical analyses to ignore biological heterogeneity as a source of variability in experimental data.…

We present and analyse a model for cell signalling processes in biological tissues. The model includes diffusion and nonlinear reactions on the cell surfaces, and both inter- and intracellular signalling. Using techniques from the theory of…

Analysis of PDEs · Mathematics 2020-03-12 Mariya Ptashnyk , Chandrasekhar Venkataraman

From neural ODEs to continuous-time machine learning, differentiable solvers allow physics, optimization, and simulation to become trainable components within deep learning systems. This has opened the path to a new generation of deep…

Machine Learning · Computer Science 2026-05-07 Miloš Babić , Franz M. Rohrhofer , Stefan Posch

Integrating biology with complementary metal-oxide-semiconductor (CMOS) sensors can enable highly parallel measurements with minimal parasitic effects, significantly enhancing sensitivity. However, realizing this potential often requires…

We propose a parallel algorithm for local, on the fly, model checking of a fragment of CTL that is well-suited for modern, multi-core architectures. This model-checking algorithm takes bene t from a parallel state space construction…

Logic in Computer Science · Computer Science 2013-02-01 Rodrigo Tacla Saad , Silvano Dal Zilio , Bernard Berthomieu

We propose a novel method for fast and scalable evaluation of periodic solutions of systems of ordinary differential equations for a given set of parameter values and initial conditions. The equations governing the system dynamics are…

Dynamical Systems · Mathematics 2016-05-30 I. Yu. Tyukin , A. N. Gorban , T. A. Tyukina , J. Al Ameri , Yu. A. Korablev

We present a 2D parallel implementation of the modified Cahn-Hilliard equation for the simulation of a biofilm in an aqueous enviroment. Biofilms are attached microbial communities made of many different components and can have both…

Numerical Analysis · Mathematics 2018-11-30 Nathan McClanahan , Nicholas Stegmeier , Rylee Sundermann , Jeffrey Doom , Jung-Han Kimn

Advances in molecular technologies underlie an enormous growth in the size of data sets pertaining to biology and biomedicine. These advances parallel those in the deep learning subfield of machine learning. Components in the differentiable…

Quantitative Methods · Quantitative Biology 2024-06-14 Alex Jihun Lee , Reza Abbasi-Asl

A method is presented that, when used in conjunction with single molecule experimental techniques, allows for the extraction of rates and mechanical properties of a biomolecule undergoing transitions between mechanically distinct states.…

Biomolecules · Quantitative Biology 2009-09-29 Darren E. Segall

Nested pairwise frames is a method for relative benchmarking of cell or tissue digital pathology models against manual pathologist annotations on a set of sampled patches. At a high level, the method compares agreement between a candidate…

Modular verification is a technique used to face the state explosion problem often encountered in the verification of properties of complex systems such as concurrent interactive systems. The modular approach is based on the observation…

Logic in Computer Science · Computer Science 2012-11-20 Peter Drábik , Andrea Maggiolo-Schettini , Paolo Milazzo

We consider adaptive finite element methods for solving a multiscale system consisting of a macroscale model comprising a system of reaction-diffusion partial differential equations coupled to a microscale model comprising a system of…

Numerical Analysis · Mathematics 2015-06-22 A. Johansson , J. H. Chaudry , V. Carey , D. Estep , V. Ginting , M. Larson , S. Tavener

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

The macroscopic behavior of the solution of a coupled system of partial differential equations arising in the modeling of reaction-diffusion processes in periodic porous media is analyzed. Our mathematical model can be used for studying…

Analysis of PDEs · Mathematics 2019-06-19 G. Cardone , C. Perugia , C. Timofte