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Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

The purpose of this paper is to outline a generalised model for representing hybrids of relational-categorical, symbolic, perceptual-sensory and perceptual-latent data, so as to embody, in the same architectural data layer, representations…

Machine Learning · Computer Science 2020-04-29 Bogdan Bocse , Ioan Radu Jinga

Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model…

Machine Learning · Computer Science 2022-10-14 Jiaqi Han , Wenbing Huang , Hengbo Ma , Jiachen Li , Joshua B. Tenenbaum , Chuang Gan

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

This work concerns the application of physics-informed neural networks to the modeling and control of complex robotic systems. Achieving this goal required extending Physics Informed Neural Networks to handle non-conservative effects. We…

Robotics · Computer Science 2023-07-07 Jingyue Liu , Pablo Borja , Cosimo Della Santina

In this work we present a hybrid physics-based and data-driven learning approach to construct surrogate models for concurrent multiscale simulations of complex material behavior. We start from robust but inflexible physics-based…

Numerical Analysis · Mathematics 2023-02-01 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

Physics Informed Machine Learning has emerged as a popular approach for modeling and simulation in digital twins, enabling the generation of accurate models of processes and behaviors in real-world systems. However, existing methods either…

Machine Learning · Computer Science 2025-07-15 Muhammad Saad Zia , Ashiq Anjum , Lu Liu , Anthony Conway , Anasol Pena Rios

This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional large-scale material systems. The deep potential molecular…

Materials Science · Physics 2024-04-02 Yubo Qi , Weiyi Gong , Qimin Yan

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social…

Machine Learning · Computer Science 2020-10-12 Emanuele Rossi , Ben Chamberlain , Fabrizio Frasca , Davide Eynard , Federico Monti , Michael Bronstein

Sequences of correlated binary patterns can represent many time-series data including text, movies, and biological signals. These patterns may be described by weighted combinations of a few dominant structures that underpin specific…

Machine Learning · Statistics 2019-03-29 Jimmy Gaudreault , Arunabh Saxena , Hideaki Shimazaki

This paper focuses on representation learning for dynamic graphs with temporal interactions. A fundamental issue is that both the graph structure and the nodes own their own dynamics, and their blending induces intractable complexity in the…

Machine Learning · Computer Science 2025-10-02 Tiexin Qin , Benjamin Walker , Terry Lyons , Hong Yan , Haoliang Li

We introduce a physics-informed neural framework for modeling static and time-dependent galactic gravitational potentials. The method combines data-driven learning with embedded physical constraints to capture complex, small-scale features…

Astrophysics of Galaxies · Physics 2026-04-02 Charlotte Myers , Nathaniel Starkman , Lina Necib

Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

Multivariate time series forecasting, which analyzes historical time series to predict future trends, can effectively help decision-making. Complex relations among variables in MTS, including static, dynamic, predictable, and latent…

Machine Learning · Computer Science 2021-12-16 Yueyang Wang , Ziheng Duan , Yida Huang , Haoyan Xu , Jie Feng , Anni Ren

Multi-robot systems of increasing size and complexity are used to solve large-scale problems, such as area exploration and search and rescue. A key decision in human-robot teaming is dividing a multi-robot system into teams to address…

Robotics · Computer Science 2020-04-09 Brian Reily , Christopher Reardon , Hao Zhang

Multimodal graphs are gaining increasing attention due to their rich representational power and wide applicability, yet they introduce substantial challenges arising from severe modality confusion. To address this issue, we propose NSG…

Machine Learning · Computer Science 2026-02-03 Yihan Zhang , Ercan E. Kuruoglu

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Social and Information Networks · Computer Science 2020-06-19 Chengxi Zang , Fei Wang

Disease-gene prediction (DGP) refers to the computational challenge of predicting associations between genes and diseases. Effective solutions to the DGP problem have the potential to accelerate the therapeutic development pipeline at early…

Machine Learning · Computer Science 2019-07-15 Vikash Singh , Pietro Lio'