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Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based learning tasks. While their performance is often attributed to the powerful neighborhood aggregation mechanism, recent studies suggest that other…

Machine Learning · Computer Science 2024-12-11 Yushun Dong , Patrick Soga , Yinhan He , Song Wang , Jundong Li

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Recent research that combines implicit 3D representation with semantic information, like Semantic-NeRF, has proven that NeRF model could perform excellently in rendering 3D structures with semantic labels. This research aims to extend the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Ruibo Wang , Song Zhang , Ping Huang , Donghai Zhang , Wei Yan

Machine learning models trained with \emph{stochastic} gradient descent (SGD) can generalize better than those trained with deterministic gradient descent (GD). In this work, we study SGD's impact on generalization through the lens of the…

Machine Learning · Computer Science 2025-12-09 Hongjian Lan , Yucong Liu , Florian Schäfer

There are good arguments to support the claim that deep neural networks (DNNs) capture better feature representations than the previous hand-crafted feature engineering, which leads to a significant performance improvement. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Yao Lu , Wen Yang , Yunzhe Zhang , Zuohui Chen , Jinyin Chen , Qi Xuan , Zhen Wang , Xiaoniu Yang

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph Neural Networks (GNNs) are exemplary deep models designed for graph data. Message passing mechanism enables GNNs to effectively capture graph topology and push the performance boundaries across various graph tasks. However, the trend…

Neural and Evolutionary Computing · Computer Science 2025-09-29 Huizhe Zhang , Jintang Li , Yuchang Zhu , Liang Chen , Li Kuang

We introduce the framework of continuous--depth graph neural networks (GNNs). Graph neural ordinary differential equations (GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

We explore the potential of Graph Neural Networks (GNNs) to improve the performance of high-dimensional effective field theory parameter fits to collider data beyond traditional rectangular cut-based differential distribution analyses. In…

High Energy Physics - Phenomenology · Physics 2022-05-11 Oliver Atkinson , Akanksha Bhardwaj , Stephen Brown , Christoph Englert , David J. Miller , Panagiotis Stylianou

Neural networks typically generalize well when fitting the data perfectly, even though they are heavily overparameterized. Many factors have been pointed out as the reason for this phenomenon, including an implicit bias of stochastic…

Machine Learning · Computer Science 2025-02-04 Amit Peleg , Matthias Hein

Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling. The expressivity of GNNs with respect to their ability to discriminate…

Generative Flow Networks (GFlowNets) offer a powerful framework for sampling graphs in proportion to their rewards. However, existing approaches suffer from systematic biases due to inaccuracies in state transition probability computations.…

Machine Learning · Statistics 2025-10-17 Hohyun Kim , Seunggeun Lee , Min-hwan Oh

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

The huge wealth of data in the health domain can be exploited to create models that predict development of health states over time. Temporal learning algorithms are well suited to learn relationships between health states and make…

Neural and Evolutionary Computing · Computer Science 2019-04-12 Mark Hoogendoorn , Ward van Breda , Jeroen Ruwaard

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

Using predictive models to identify patterns that can act as biomarkers for different neuropathoglogical conditions is becoming highly prevalent. In this paper, we consider the problem of Autism Spectrum Disorder (ASD) classification where…

Machine Learning · Statistics 2018-10-31 Rushil Anirudh , Jayaraman J. Thiagarajan

Graph neural networks (GNNs) are being increasingly used in many high-stakes tasks, and as a result, there is growing attention on their fairness recently. GNNs have been shown to be unfair as they tend to make discriminatory decisions…

Machine Learning · Computer Science 2023-11-30 Yuchang Zhu , Jintang Li , Liang Chen , Zibin Zheng