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The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…

Materials Science · Physics 2025-09-30 Elisabetta Nocerino

We develop an unsupervised machine learning algorithm for the automated discovery and identification of traveling waves in spatio-temporal systems governed by partial differential equations (PDEs). Our method uses sparse regression and…

Computational Physics · Physics 2020-05-20 Ariana Mendible , Steven L. Brunton , Aleksandr Y. Aravkin , Wes Lowrie , J. Nathan Kutz

While 2D occupancy maps commonly used in mobile robotics enable safe navigation in indoor environments, in order for robots to understand and interact with their environment and its inhabitants representing 3D geometry and semantic…

Robotics · Computer Science 2025-01-09 Krishnananda Prabhu Sivananda , Francesco Verdoja , Ville Kyrki

Interactions between neighboring cells are essential for generating or refining patterns in a number of biological systems. We propose a discrete filtering approach to predict how networks of cells modulate spatially varying input signals…

Tissues and Organs · Quantitative Biology 2019-02-14 Melinda Liu Perkins , Murat Arcak

From optical sensors to microwave radars, leveraging the complementary strengths of remote sensing (RS) sensors is crucial for achieving dense spatio-temporal monitoring of our planet. In contrast, recent deep learning models, whether…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Gencer Sumbul , Chang Xu , Emanuele Dalsasso , Devis Tuia

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

Highly accurate simulations of complex phenomena governed by partial differential equations (PDEs) typically require intrusive methods and entail expensive computational costs, which might become prohibitive when approximating steady-state…

Machine Learning · Computer Science 2023-05-17 Paolo Conti , Giorgio Gobat , Stefania Fresca , Andrea Manzoni , Attilio Frangi

(Partial) differential equations (PDEs) are fundamental tools for describing natural phenomena, making their solution crucial in science and engineering. While traditional methods, such as the finite element method, provide reliable…

Machine Learning · Computer Science 2025-03-11 Viggo Moro , Luiz F. O. Chamon

We study the effects of fast spatial movement of molecules on the dynamics of chemical species in a spatially heterogeneous chemical reaction network using a compartment model. The reaction networks we consider are either single- or…

Probability · Mathematics 2015-10-27 Peter Pfaffelhuber , Lea Popovic

Realistic physical phenomena exhibit random fluctuations across many scales in the input and output processes. Models of these phenomena require stochastic PDEs. For three-dimensional coupled (vector-valued) stochastic PDEs (SPDEs), for…

Computational Engineering, Finance, and Science · Computer Science 2022-08-24 Ajit Desai , Mohammad Khalil , Chris L. Pettit , Dominique Poirel , Abhijit Sarkar

The study of physiology demonstrates that the form (shape)of anatomical structures dictates their functions, and analyzing the form of anatomies plays a crucial role in clinical research. Statistical shape modeling (SSM) is a widely used…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Krithika Iyer , Shireen Y. Elhabian

Motivation: Modeling biological signaling networks using ordinary differential equations (ODEs) has proven to be a powerful technique for generating insight into cellular dynamics, but it typically requires estimating rate parameters based…

Molecular Networks · Quantitative Biology 2011-03-07 Tri Hieu Nim , Le Luo , Marie-Véronique Clément , Jacob K. White , Lisa Tucker-Kellogg

Many transport processes in nature take place on substrates, often considered as unidimensional lanes. These unidimensional substrates are typically non-static: affected by a fluctuating environment, they can undergo conformational changes.…

Statistical Mechanics · Physics 2013-01-11 Francesco Turci , Andrea Parmeggiani , Estelle Pitard , M. Carmen Romano , Luca Ciandrini

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored…

Machine Learning · Computer Science 2023-05-30 Haixu Wu , Tengge Hu , Huakun Luo , Jianmin Wang , Mingsheng Long

We propose algorithms for solving convective-diffusion partial differential equations (PDEs), which model surfactant concentration and heat transport on evolving surfaces, based on intrinsic kernel-based meshless collocation methods. The…

Numerical Analysis · Mathematics 2023-12-14 Meng Chen , Leevan Ling

The reaction-diffusion master equation (RDME) is a lattice-based stochastic model for spatially resolved cellular processes. It is often interpreted as an approximation to spatially continuous reaction-diffusion models, which, in the limit…

Statistical Mechanics · Physics 2022-01-11 Alberto Montefusco , Christof Schütte , Stefanie Winkelmann

Previous models of the cerebrovascular smooth muscle cell have not addressed the interaction between the electrical, chemical and mechanical components of cell function during the development of active tension. These models are primarily…

Cell Behavior · Quantitative Biology 2013-03-27 Jin Yang , John W. Clark , Robert M. Bryan , Claudia S. Robertson

The interpretation of ligand-target interactions at atomistic resolution is central to most efforts in computational drug discovery and optimization. However, the highly dynamic nature of protein targets, as well as possible induced fit…

Biomolecules · Quantitative Biology 2024-12-04 Lara Callea , Camilla Caprai , Laura Bonati , Toni Giorgino , Stefano Motta

Signalling pathways are abstractions that help life scientists structure the coordination of cellular activity. Cross-talk between pathways accounts for many of the complex behaviours exhibited by signalling pathways and is often critical…

Computational Engineering, Finance, and Science · Computer Science 2010-02-23 Robin Donaldson , Muffy Calder

Stochastic partial differential equations (SPDEs) are the mathematical tool of choice for modelling spatiotemporal PDE-dynamics under the influence of randomness. Based on the notion of mild solution of an SPDE, we introduce a novel neural…

Machine Learning · Computer Science 2022-09-27 Cristopher Salvi , Maud Lemercier , Andris Gerasimovics