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Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Recurrent neural networks (RNNs) are powerful dynamical models, widely used in machine learning (ML) and neuroscience. Prior theoretical work has focused on RNNs with additive interactions. However, gating - i.e. multiplicative -…

Disordered Systems and Neural Networks · Physics 2021-12-02 Kamesh Krishnamurthy , Tankut Can , David J. Schwab

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

Deep neural network architectures often consist of repetitive structural elements. We introduce an approach that reveals these patterns and can be broadly applied to the study of deep learning. Similarly to how a power strip helps untangle…

Statistical Mechanics · Physics 2025-07-03 Donghee Lee , Hye-Sung Lee , Jaeok Yi

A central question in neuroscience is how self-organizing dynamic interactions in the brain emerge on their relatively static structural backbone. Due to the complexity of spatial and temporal dependencies between different brain areas,…

Neurons and Cognition · Quantitative Biology 2020-10-15 Simon Wein , Wilhelm Malloni , Ana Maria Tomé , Sebastian M. Frank , Gina-Isabelle Henze , Stefan Wüst , Mark W. Greenlee , Elmar W. Lang

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from…

Machine Learning · Computer Science 2025-05-01 Damien Teney , Armand Nicolicioiu , Valentin Hartmann , Ehsan Abbasnejad

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

Disordered Systems and Neural Networks · Physics 2026-02-23 O. Duranthon , L. Zdeborová

We propose a deep neural network architecture designed such that its output forms an invertible symplectomorphism of the input. This design draws an analogy to the real-valued non-volume-preserving (real NVP) method used in normalizing flow…

Numerical Analysis · Mathematics 2024-07-02 Qing He , Wei Cai

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

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

In the last decade, deep learning has become a major component of artificial intelligence. The workhorse of deep learning is the optimization of loss functions by stochastic gradient descent (SGD). Traditionally in deep learning, neural…

Machine Learning · Computer Science 2021-04-27 Benjamin Scellier

The existing research on robust Graph Neural Networks (GNNs) fails to acknowledge the significance of directed graphs in providing rich information about networks' inherent structure. This work presents the first investigation into the…

Machine Learning · Computer Science 2023-06-06 Zhichao Hou , Xitong Zhang , Wei Wang , Charu C. Aggarwal , Xiaorui Liu

Deep neural networks (DNNs) have excellent representative power and are state of the art classifiers on many tasks. However, they often do not capture their own uncertainties well making them less robust in the real world as they…

Machine Learning · Statistics 2017-07-11 John Bradshaw , Alexander G. de G. Matthews , Zoubin Ghahramani

Recent architectural developments have enabled recurrent neural networks (RNNs) to reach and even surpass the performance of Transformers on certain sequence modeling tasks. These modern RNNs feature a prominent design pattern: linear…

Graph convolutional neural networks (GCNNs) are nonlinear processing tools to learn representations from network data. A key property of GCNNs is their stability to graph perturbations. Current analysis considers deterministic perturbations…

Machine Learning · Computer Science 2021-06-22 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

Recent progress in research on Deep Graph Networks (DGNs) has led to a maturation of the domain of learning on graphs. Despite the growth of this research field, there are still important challenges that are yet unsolved. Specifically,…

Machine Learning · Computer Science 2024-04-10 Alessio Gravina , Davide Bacciu

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Graph Neural Networks (GNNs) are models that leverage the graph structure to transmit information between nodes, typically through the message-passing operation. While widely successful, this approach is well known to suffer from the…

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

The integration of Spiking Neural Networks (SNNs) and Graph Neural Networks (GNNs) is gradually attracting attention due to the low power consumption and high efficiency in processing the non-Euclidean data represented by graphs. However,…

Neural and Evolutionary Computing · Computer Science 2025-07-15 Nan Yin , Mengzhu Wang , Zhenghan Chen , Giulia De Masi , Bin Gu , Huan Xiong