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Self-diffusion coefficients, $D^*$, are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobile species. MSDs derived from simulation exhibit statistical…

Statistical Mechanics · Physics 2026-01-05 Andrew R. McCluskey , Samuel W. Coles , Benjamin J. Morgan

Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central…

Machine Learning · Computer Science 2023-05-31 Ya-Wei Eileen Lin , Ronald R. Coifman , Gal Mishne , Ronen Talmon

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

Machine Learning · Computer Science 2023-10-12 Salva Rühling Cachay , Bo Zhao , Hailey Joren , Rose Yu

Denoising Diffusion Models (DDMs) have become a popular tool for generating high-quality samples from complex data distributions. These models are able to capture sophisticated patterns and structures in the data, and can generate samples…

Computer Vision and Pattern Recognition · Computer Science 2024-08-20 Emanuele Aiello , Diego Valsesia , Enrico Magli

The diffusion bridge, which is a diffusion process conditioned on hitting a specific state within a finite period, has found broad applications in various scientific and engineering fields. However, simulating diffusion bridges for modeling…

Machine Learning · Computer Science 2025-05-02 Gefan Yang , Elizabeth Louise Baker , Michael L. Severinsen , Christy Anna Hipsley , Stefan Sommer

Data assimilation has become a key technique for combining physical models with observational data to estimate state variables. However, classical assimilation algorithms often struggle with the high nonlinearity present in both physical…

Machine Learning · Computer Science 2025-07-22 Zhuoyuan Li , Bin Dong , Pingwen Zhang

We have deluge of data in time series format for numerous phenomena. The number of snapshots, resolution and many other factors come into play as we look to identify the dynamics in a given problem. The pre-processing and post-processing…

Signal Processing · Electrical Eng. & Systems 2020-01-13 Mohammad N. Murshed , M. Monir Uddin

Diffusion models have recently achieved remarkable performance in image super-resolution (SR), but their high computational cost limits practical deployment in remote sensing applications. To address this issue, we propose SlimDiffSR, a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Ce Wang , Zhenyu Hu , Wanjie Sun

There are many real-world knowledge based networked systems with multi-type interacting entities that can be regarded as heterogeneous networks including human connections and biological evolutions. One of the main issues in such networks…

Social and Information Networks · Computer Science 2019-11-05 Soheila Molaei , Hadi Zare , Hadi Veisi

Density-based distances (DBDs) provide a principled approach to metric learning by defining distances in terms of the underlying data distribution. By employing a Riemannian metric that increases in regions of low probability density,…

Machine Learning · Computer Science 2025-06-02 Peter Sorrenson , Daniel Behrend-Uriarte , Christoph Schnörr , Ullrich Köthe

We propose an adaptive diffusion mechanism to optimize a global cost function in a distributed manner over a network of nodes. The cost function is assumed to consist of a collection of individual components. Diffusion adaptation allows the…

Optimization and Control · Mathematics 2015-06-03 Jianshu Chen , Ali H. Sayed

Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and…

Machine Learning · Computer Science 2026-04-03 Hao Zhu , Di Zhou , Donna Slonim

Existing segmentation models trained on a single medical imaging dataset often lack robustness when encountering unseen organs or tumors. Developing a robust model capable of identifying rare or novel tumor categories not present during…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Rong Wu , Ziqi Chen , Liming Zhong , Heng Li , Hai Shu

Time plays an essential role in the diffusion of information, influence and disease over networks. In many cases we only observe when a node copies information, makes a decision or becomes infected -- but the connectivity, transmission…

Social and Information Networks · Computer Science 2011-05-05 Manuel Gomez Rodriguez , David Balduzzi , Bernhard Schölkopf

We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with…

Computational Physics · Physics 2024-03-08 Tim Hsu , Babak Sadigh , Vasily Bulatov , Fei Zhou

Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…

Machine Learning · Computer Science 2023-05-16 Jaemoo Choi , Yesom Park , Myungjoo Kang

Recently Data-Free Knowledge Distillation (DFKD) has garnered attention and can transfer knowledge from a teacher neural network to a student neural network without requiring any access to training data. Although diffusion models are adept…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Xiaohua Qi , Renda Li , Long Peng , Qiang Ling , Jun Yu , Ziyi Chen , Peng Chang , Mei Han , Jing Xiao

Diffusion Models (DMs), also referred to as score-based diffusion models, utilize neural networks to specify score functions. Unlike most other probabilistic models, DMs directly model the score functions, which makes them more flexible to…

Machine Learning · Computer Science 2023-04-11 Weijian Luo

Over the past few years, several approaches utilizing score-based diffusion have been proposed to sample from probability distributions, that is without having access to exact samples and relying solely on evaluations of unnormalized…

Machine Learning · Statistics 2025-04-15 Maxence Noble , Louis Grenioux , Marylou Gabrié , Alain Oliviero Durmus

We introduce a data-driven approach to building reduced dynamical models through manifold learning; the reduced latent space is discovered using Diffusion Maps (a manifold learning technique) on time series data. A second round of Diffusion…