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In complex systems, information propagation can be defined as diffused or delocalized, weakly localized, and strongly localized. This study investigates the application of graph neural network models to learn the behavior of a linear…

Machine Learning · Computer Science 2025-09-09 Priodyuti Pradhan , Amit Reza

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

Videos of robots interacting with objects encode rich information about the objects' dynamics. However, existing video prediction approaches typically do not explicitly account for the 3D information from videos, such as robot actions and…

Robotics · Computer Science 2024-10-25 Mingtong Zhang , Kaifeng Zhang , Yunzhu Li

Deep learning models are able to approximate one specific dynamical system but struggle at learning generalisable dynamics, where dynamical systems obey the same laws of physics but contain different numbers of elements (e.g., double- and…

Machine Learning · Computer Science 2022-07-05 Yupu Lu , Shijie Lin , Guanqi Chen , Jia Pan

This paper introduces the Neural-Brownian Motion (NBM), a new class of stochastic processes for modeling dynamics under learned uncertainty. The NBM is defined axiomatically by replacing the classical martingale property with respect to…

Probability · Mathematics 2025-07-22 Qian Qi

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

Simulation of the dynamics of physical systems is essential to the development of both science and engineering. Recently there is an increasing interest in learning to simulate the dynamics of physical systems using neural networks.…

Machine Learning · Computer Science 2022-01-31 Ce Yang , Weihao Gao , Di Wu , Chong Wang

Understanding the dynamics of neural network parameters during training is one of the key challenges in building a theoretical foundation for deep learning. A central obstacle is that the motion of a network in high-dimensional parameter…

Machine Learning · Computer Science 2021-03-30 Daniel Kunin , Javier Sagastuy-Brena , Surya Ganguli , Daniel L. K. Yamins , Hidenori Tanaka

Linearized Graph Neural Networks (GNNs) have attracted great attention in recent years for graph representation learning. Compared with nonlinear Graph Neural Network (GNN) models, linearized GNNs are much more time-efficient and can…

Machine Learning · Computer Science 2023-02-02 Yulin Zhu , Xing Ai , Qimai Li , Xiao-Ming Wu , Kai Zhou

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Learning graph representations is a fundamental task aimed at capturing various properties of graphs in vector space. The most recent methods learn such representations for static networks. However, real world networks evolve over time and…

Social and Information Networks · Computer Science 2019-08-22 Palash Goyal , Sujit Rokka Chhetri , Arquimedes Canedo

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

Graph neural networks (GNNs) have demonstrated success in learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. However, existing GNN methods assume brain graphs are static over time and…

Machine Learning · Computer Science 2023-07-11 Alexander Campbell , Antonio Giuliano Zippo , Luca Passamonti , Nicola Toschi , Pietro Lio

The recursive Newton-Euler Algorithm (RNEA) is a popular technique for computing the dynamics of robots. RNEA can be framed as a differentiable computational graph, enabling the dynamics parameters of the robot to be learned from data via…

Discovering the underlying behavior of complex systems is an important topic in many science and engineering disciplines. In this paper, we propose a novel neural network framework, finite difference neural networks (FDNet), to learn…

Machine Learning · Statistics 2020-06-04 Zheng Shi , Nur Sila Gulgec , Albert S. Berahas , Shamim N. Pakzad , Martin Takáč

Recently, methods that represent data as a graph, such as graph neural networks (GNNs) have been successfully used to learn data representations and structures to solve classification and link prediction problems. The applications of such…

Machine Learning · Computer Science 2022-10-04 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Uncertainty quantification is a fundamental yet unsolved problem for deep learning. The Bayesian framework provides a principled way of uncertainty estimation but is often not scalable to modern deep neural nets (DNNs) that have a large…

Machine Learning · Computer Science 2020-08-25 Lingkai Kong , Jimeng Sun , Chao Zhang

We propose a novel framework for Network Stochastic Differential Equations (N-SDE), where each node in a network is governed by an SDE influenced by interactions with its neighbors. The evolution of each node is driven by the interplay of…

Methodology · Statistics 2025-06-03 Francesco Iafrate , Stefano Iacus
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