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Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Soft set theory provides a direct framework for parameterized decision modeling by assigning to each attribute (parameter) a subset of a given universe, thereby representing uncertainty in a structured way [1, 2]. Over the past decades, the…

Artificial Intelligence · Computer Science 2026-03-17 Takaaki Fujita , Florentin Smarandache

Modelling stochastic systems has many important applications. Normal form coordinate transforms are a powerful way to untangle interesting long term macroscale dynamics from detailed microscale dynamics. We explore such coordinate…

Dynamical Systems · Mathematics 2009-11-13 A. J. Roberts

The number of modes in a probability density function is representative of the complexity of a model and can also be viewed as the number of subpopulations. Despite its relevance, there has been limited research in this area. A novel…

Methodology · Statistics 2024-05-09 José E. Chacón , Javier Fernández Serrano

The theory of slow manifolds is an important tool in the study of deterministic dynamical systems, giving a practical method by which to reduce the number of relevant degrees of freedom in a model, thereby often resulting in a considerable…

Statistical Mechanics · Physics 2013-07-01 George W A Constable , Alan J McKane , Tim Rogers

Video sequences contain rich dynamic patterns, such as dynamic texture patterns that exhibit stationarity in the temporal domain, and action patterns that are non-stationary in either spatial or temporal domain. We show that a…

Machine Learning · Statistics 2017-05-31 Jianwen Xie , Song-Chun Zhu , Ying Nian Wu

Functional data analysis, which models data as realizations of random functions over a continuum, has emerged as a useful tool for time series data. Often, the goal is to infer the dynamic connections (or time-varying conditional…

Methodology · Statistics 2024-12-10 Chunshan Liu , Daniel R. Kowal , James Doss-Gollin , Marina Vannucci

Discrete rearranging patterns include cellular patterns, for instance liquid foams, biological tissues, grains in polycrystals; assemblies of particles such as beads, granular materials, colloids, molecules, atoms; and interconnected…

Soft Condensed Matter · Physics 2009-11-13 François Graner , B. Dollet , Christophe Raufaste , Philippe Marmottant

During modeling of dynamical systems, often two or more model architectures are combined to obtain a more powerful or efficient model regarding a specific application area. This covers the combination of multiple machine learning…

Machine Learning · Computer Science 2025-02-03 Tobias Thummerer , Lars Mikelsons

Manifold models provide low-dimensional representations that are useful for processing and analyzing data in a transformation-invariant way. In this paper, we study the problem of learning smooth pattern transformation manifolds from image…

Computer Vision and Pattern Recognition · Computer Science 2013-05-20 Elif Vural , Pascal Frossard

Discrete-time modeling of acoustic, mechanical and electrical systems is a prominent topic in the musical signal processing literature. Such models are mostly derived by discretizing a mathematical model, given in terms of ordinary or…

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as…

Machine Learning · Computer Science 2025-02-14 Liang Wang , Chao Song , Zhiyuan Liu , Yu Rong , Qiang Liu , Shu Wu , Liang Wang

We perform the linear stability analysis for a new model for poromechanical processes with inertia (formulated in mixed form using the solid deformation, fluid pressure, and total pressure) interacting with diffusing and reacting solutes…

Mathematical models come in many forms across biological applications. In the case of complex, spatial dynamics and pattern formation, stochastic models also face two main challenges: pattern data is largely qualitative, and model…

Cell Behavior · Quantitative Biology 2022-12-26 Electa Cleveland , Angela Zhu , Bjorn Sandstede , Alexandria Volkening

We review recent advances in the design, synthesis, and modeling of active fluids. Active fluids have been at the center of many technological innovations and theoretical advances over the past two decades. Research on this new class of…

Soft Condensed Matter · Physics 2023-02-02 Ilham Essafri , Bappa Ghosh , Caroline Desgranges , Jerome Delhommelle

Dynamical systems see widespread use in natural sciences like physics, biology, chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential…

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

Two-dimensional free-surface potential flows of an ideal fluid over a strongly inhomogeneous bottom are investigated with the help of conformal mappings. Weakly-nonlinear and exact nonlinear equations of motion are derived by the…

Fluid Dynamics · Physics 2016-09-08 V. P. Ruban

Spatiotemporal dynamics models are fundamental for various domains, from heat propagation in materials to oceanic and atmospheric flows. However, currently available neural network-based spatiotemporal modeling approaches fall short when…

Machine Learning · Computer Science 2025-02-11 Valerii Iakovlev , Harri Lähdesmäki