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Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…

Numerical Analysis · Mathematics 2015-06-09 Gideon Simpson , Mitchell Luskin , David J. Srolovitz

Anomaly detection is a fundamental task in machine learning and data mining, with significant applications in cybersecurity, industrial fault diagnosis, and clinical disease monitoring. Traditional methods, such as statistical modeling and…

Machine Learning · Computer Science 2025-05-09 Yi Chen

The discovery and study of new material systems rely on molecular simulations that often come with significant computational expense. We propose MDDM, a Molecular Dynamics Diffusion Model, which is capable of predicting a valid output…

Machine Learning · Computer Science 2025-09-11 Kevin Ferguson , Yu-hsuan Chen , Levent Burak Kara

Diffusion in a multidimensional energy surface with minima and barriers is a problem of importance in statistical mechanics and also has wide applications, such as protein folding. To understand it in such a system, we carry out theory and…

Statistical Mechanics · Physics 2022-06-29 Subhajit Acharya , Biman Bagchi

Diffusion is modeled on the recently proposed Hanoi networks by studying the mean- square displacement of random walks with time, <r^2>~t^{2/d_w}. It is found that diffusion - the quintessential mode of transport throughout Nature -…

Statistical Mechanics · Physics 2008-10-15 S. Boettcher , B. Goncalves

Anomalous diffusion occurs in a wide range of systems, including protein transport within cells, animal movement in complex habitats, pollutant dispersion in groundwater, and nanoparticle motion in synthetic materials. Accurately estimating…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Yusef Ahsini , Marc Escoto , J. Alberto Conejero

A recently developed non-linear fluctuating hydrodynamics theory has been quite successful in describing various features of anomalous energy transport. However the diffusion and the noise terms present in this theory are not derived from…

Statistical Mechanics · Physics 2019-01-23 Asaf Miron , Julien Cividini , Anupam Kundu , David Mukamel

Aggregation and fragmentation of single molecules in the cell environment lead to a spectrum of diffusivities and to statistical laws of movement very different from typical Brownian motion. Current models of intracellular transport do not…

Statistical Mechanics · Physics 2020-07-08 M. Hidalgo-Soria , E. Barkai

A physical-mathematical approach to anomalous diffusion may be based on fractional diffusion equations and related random walk models. The fundamental solutions of these equations can be interpreted as probability densities evolving in time…

Statistical Mechanics · Physics 2008-05-27 Rudolf Gorenflo , Francesco Mainardi

Reaction-diffusion equations are one of the most common mathematical models in the natural sciences and are used to model systems that combine reactions with diffusive motion. However, rather than normal diffusion, anomalous subdiffusion is…

Statistical Mechanics · Physics 2021-04-23 Amanda M Alexander , Sean D Lawley

The use of reaction-diffusion models rests on the key assumption that the underlying diffusive process is Gaussian. However, a growing number of studies have pointed out the prevalence of anomalous diffusion, and there is a need to…

Pattern Formation and Solitons · Physics 2009-11-07 D. del-Castillo-Negrete , B. A. Carreras , V. E. Lynch

The time-asymptotic behavior of undamped, nonlinear oscillators with a random frequency is investigated analytically and numerically. We find that averaged quantities of physical interest, such as the oscillator's mechanical energy,…

Statistical Mechanics · Physics 2009-11-07 Kirone Mallick , Philippe Marcq

Recent investigations call attention to the dynamics of anomalous diffusion and its connection with basic principles of statistical mechanics. We present here a short review of those ideas and their implications.

Statistical Mechanics · Physics 2008-05-05 Mendeli H. Vainstein , Luciano C. Lapas , Fernando A. Oliveira

Probabilistic regression models the entire predictive distribution of a response variable, offering richer insights than classical point estimates and directly allowing for uncertainty quantification. While diffusion-based generative models…

Machine Learning · Computer Science 2025-10-07 Carlo Kneissl , Christopher Bülte , Philipp Scholl , Gitta Kutyniok

We address this work to investigate some statistical properties of symbolic sequences generated by a numerical procedure in which the symbols are repeated following a power law probability density. In this analysis, we consider that the sum…

Statistical Mechanics · Physics 2015-05-27 H. V. Ribeiro , E. K. Lenzi , R. S. Mendes , P. A. Santoro

This article is accepted for publication in the "Annals I.H.P. Prob. & Stat.". We investigate the ballistic behavior of diffusions in random environment. We introduce conditions in the spirit of (T) and (T') of the discrete setting, cf.…

Probability · Mathematics 2015-06-26 Tom Schmitz

We develop diffusion models for time-varying correlation using stochastic processes defined on the unit circle. Specifically, we study Brownian motion on the circle and the von Mises diffusion, and propose their use as continuous-time…

Statistics Theory · Mathematics 2026-01-05 Sourav Majumdar , Arnab Kumar Laha

Diffusion Probabilistic Models (DPMs) are powerful generative models that have achieved unparalleled success in a number of generative tasks. In this work, we aim to build inductive biases into the training and sampling of diffusion models…

Machine Learning · Computer Science 2025-03-14 Thomas Jiralerspong , Berton Earnshaw , Jason Hartford , Yoshua Bengio , Luca Scimeca

Diffusion models, though originally designed for generative tasks, have demonstrated impressive self-supervised representation learning capabilities. A particularly intriguing phenomenon in these models is the emergence of unimodal…

Machine Learning · Computer Science 2026-02-04 Xiao Li , Zekai Zhang , Xiang Li , Siyi Chen , Zhihui Zhu , Peng Wang , Qing Qu

Anomalous diffusion processes, in particular superdiffusive ones, are known to be efficient strategies for searching and navigation by animals and also in human mobility. One way to create such regimes are L\'evy flights, where the walkers…

Physics and Society · Physics 2017-02-22 Sarah de Nigris , Timoteo Carletti , Renaud Lambiotte