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Signed graphs allow for encoding positive and negative relations between nodes and are used to model various online activities. Node representation learning for signed graphs is a well-studied task with important applications such as sign…

Machine Learning · Computer Science 2024-12-19 Andrin Rehmann , Alexandre Bovet

The great success of Physics-Informed Neural Networks (PINN) in solving partial differential equations (PDEs) has significantly advanced our simulation and understanding of complex physical systems in science and engineering. However, many…

Numerical Analysis · Mathematics 2024-09-10 Hao Zhang , Longxiang Jiang , Xinkun Chu , Yong Wen , Luxiong Li , Yonghao Xiao , Liyuan Wang

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

Computational Physics · Physics 2026-01-05 Jian Chang , Shuze Zhu

Enabling robots to perform complex dynamic tasks such as picking up an object in one sweeping motion or pushing off a wall to quickly turn a corner is a challenging problem. The dynamic interactions implicit in these tasks are critical…

Robotics · Computer Science 2022-10-03 Saumya Saxena , Oliver Kroemer

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

Computation and Language · Computer Science 2025-07-11 Fardin Rastakhiz

Using advanced machine learning techniques, we developed a method for reconstructing precisely the arrival direction and energy of ultra-high-energy cosmic rays from the voltage traces they induced on ground-based radio detector arrays. In…

Instrumentation and Methods for Astrophysics · Physics 2026-02-27 Arsène Ferrière , Aurélien Benoit-Lévy , Olivier Martineau-Huynh , Matías Tueros

The control of high-dimensional systems, such as soft robots, requires models that faithfully capture complex dynamics while remaining computationally tractable. This work presents a framework that integrates Graph Neural Network…

Accurate estimates of network parameters are essential for modeling, monitoring, and control in power distribution systems. In this paper, we develop a physics-informed graphical learning algorithm to estimate network parameters of…

Machine Learning · Computer Science 2021-02-19 Wenyu Wang , Nanpeng Yu

Modeling molecular potential energy surface is of pivotal importance in science. Graph Neural Networks have shown great success in this field. However, their message passing schemes need special designs to capture geometric information and…

Machine Learning · Computer Science 2023-04-24 Xiyuan Wang , Muhan Zhang

We present GERN, a novel scalable framework for training GNNs in node classification tasks, based on effective resistance, a standard tool in spectral graph theory. Our method progressively refines the GNN weights on a sequence of random…

Machine Learning · Computer Science 2025-02-25 Francesco Bonchi , Claudio Gentile , Francesco Paolo Nerini , André Panisson , Fabio Vitale

Physics-informed neural networks (PINNs) have lately received significant attention as a representative deep learning-based technique for solving partial differential equations (PDEs). Most fully connected network-based PINNs use automatic…

Machine Learning · Computer Science 2024-09-30 Zixue Xiang , Wei Peng , Wen Yao

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

Machine Learning · Computer Science 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Convolutional Neural Networks (CNNs) have proved exceptional at learning representations for visual object categorization. However, CNNs do not explicitly encode objects, parts, and their physical properties, which has limited CNNs' success…

Computer Vision and Pattern Recognition · Computer Science 2020-06-25 Daniel M. Bear , Chaofei Fan , Damian Mrowca , Yunzhu Li , Seth Alter , Aran Nayebi , Jeremy Schwartz , Li Fei-Fei , Jiajun Wu , Joshua B. Tenenbaum , Daniel L. K. Yamins

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

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

Recent advances in applying Graph Neural Networks (GNNs) to molecular science have showcased the power of learning three-dimensional (3D) structure representations with GNNs. However, most existing GNNs suffer from the limitations of…

Biomolecules · Quantitative Biology 2023-11-21 Shuo Zhang , Yang Liu , Lei Xie

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

We introduce the concept of a Graph-Informed Neural Network (GINN), a hybrid approach combining deep learning with probabilistic graphical models (PGMs) that acts as a surrogate for physics-based representations of multiscale and…

Computational Physics · Physics 2021-03-17 Eric J. Hall , Søren Taverniers , Markos A. Katsoulakis , Daniel M. Tartakovsky

Fault detection in power distribution grids is critical for ensuring system reliability and preventing costly outages. Moreover, fault detection methodologies should remain robust to evolving grid topologies caused by factors such as…

Machine Learning · Computer Science 2025-10-07 Burak Karabulut , Carlo Manna , Chris Develder

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang
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