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Graph Neural Networks (GNNs) often struggle in preserving high-frequency components of nodal signals when dealing with directed graphs. Such components are crucial for modeling flow dynamics, without which a traditional GNN tends to treat a…

Machine Learning · Computer Science 2025-06-09 Haoyang Jiang , Jindong Wang , Xingquan Zhu , Yi He

Brownian Dynamics simulations are an important tool for modeling the dynamics of soft matter. However, accurate and rapid computations of the hydrodynamic interactions between suspended, microscopic components in a soft material is a…

Fluid Dynamics · Physics 2018-03-14 Andrew M. Fiore , James W. Swan

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

Machine Learning · Computer Science 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Traffic flow forecasting is a critical spatio-temporal data mining task with wide-ranging applications in intelligent route planning and dynamic traffic management. Recent advancements in deep learning, particularly through Graph Neural…

Machine Learning · Computer Science 2025-05-14 Weiyang Kong , Kaiqi Wu , Sen Zhang , Yubao Liu

Transport phenomena in spatially periodic systems far from thermal equilibrium are considered. The main emphasize is put on directed transport in so-called Brownian motors (ratchets), i.e. a dissipative dynamics in the presence of thermal…

Statistical Mechanics · Physics 2009-10-31 Peter Reimann

While physics conveys knowledge of nature built from an interplay between observations and theory, it has been considered less importantly in deep neural networks. Especially, there are few works leveraging physics behaviors when the…

Machine Learning · Computer Science 2019-02-12 Sungyong Seo , Yan Liu

This work investigates the problem of estimating the weight matrices of a stable time-invariant linear dynamical system from a single sequence of noisy measurements. We show that if the unknown weight matrices describing the system are in…

Machine Learning · Computer Science 2021-02-24 Navid Reyhanian , Jarvis Haupt

Observations from dynamical systems often exhibit irregularities, such as censoring, where values are recorded only if they fall within a certain range. Censoring is ubiquitous in practice, due to saturating sensors, limit-of-detection…

Machine Learning · Computer Science 2023-10-10 Orestis Plevrakis

Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…

Machine Learning · Computer Science 2021-03-19 Tien Huu Do , Duc Minh Nguyen , Giannis Bekoulis , Adrian Munteanu , Nikos Deligiannis

Graph neural networks have been useful in machine learning on graph-structured data, particularly for node classification and some types of graph classification tasks. However, they have had limited use in representing patterning of signals…

Machine Learning · Computer Science 2025-06-23 Siddharth Viswanath , Rahul Singh , Yanlei Zhang , J. Adam Noah , Joy Hirsch , Smita Krishnaswamy

Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant…

Machine Learning · Computer Science 2021-10-04 Shaan Desai , Marios Mattheakis , David Sondak , Pavlos Protopapas , Stephen Roberts

Deep learning has been widely used within learning algorithms for robotics. One disadvantage of deep networks is that these networks are black-box representations. Therefore, the learned approximations ignore the existing knowledge of…

Machine Learning · Computer Science 2023-03-20 Michael Lutter , Jan Peters

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

Ocean current, fluid mechanics, and many other spatio-temporal physical dynamical systems are essential components of the universe. One key characteristic of such systems is that certain physics laws -- represented as ordinary/partial…

Machine Learning · Computer Science 2021-08-16 Yu Huang , James Li , Min Shi , Hanqi Zhuang , Xingquan Zhu , Laurent Chérubin , James VanZwieten , Yufei Tang

Graph Neural Networks (GNNs) have shown to be powerful tools for graph analytics. The key idea is to recursively propagate and aggregate information along edges of the given graph. Despite their success, however, the existing GNNs are…

Machine Learning · Computer Science 2020-11-16 Dongsheng Luo , Wei Cheng , Wenchao Yu , Bo Zong , Jingchao Ni , Haifeng Chen , Xiang Zhang

Deep neural networks have revolutionized machine learning, yet their training dynamics remain theoretically unclear-we develop a continuous-time, matrix-valued stochastic differential equation (SDE) framework that rigorously connects the…

Machine Learning · Computer Science 2026-02-10 Brian Richard Olsen , Sam Fatehmanesh , Frank Xiao , Adarsh Kumarappan , Anirudh Gajula

Neural networks (NN)-based learning algorithms are strongly affected by the choices of initialization and data distribution. Different optimization strategies have been proposed for improving the learning trajectory and finding a better…

Machine Learning · Computer Science 2021-03-19 Yimeng Min