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Graph neural networks (GNNs) are powerful machine learning models for various graph learning tasks. Recently, the limitations of the expressive power of various GNN models have been revealed. For example, GNNs cannot distinguish some…

Machine Learning · Computer Science 2021-01-19 Ryoma Sato , Makoto Yamada , Hisashi Kashima

Deep learning models have great potential in medical imaging, including orthodontics and skeletal maturity assessment. However, applying a model to data different from its training set can lead to unreliable predictions that may impact…

Image and Video Processing · Electrical Eng. & Systems 2025-05-15 Omid Halimi Milani , Amanda Nikho , Lauren Mills , Marouane Tliba , Ahmet Enis Cetin , Mohammed H. Elnagar

Neural networks currently dominate the machine learning community and they do so for good reasons. Their accuracy on complex tasks such as image classification is unrivaled at the moment and with recent improvements they are reasonably easy…

Machine Learning · Computer Science 2019-01-21 Sascha Saralajew , Lars Holdijk , Maike Rees , Thomas Villmann

In this paper, we propose a new first-order gradient-based algorithm to train deep neural networks. We first introduce the sign operation of stochastic gradients (as in sign-based methods, e.g., SIGN-SGD) into ADAM, which is called as…

Computer Vision and Pattern Recognition · Computer Science 2019-07-23 Dong Wang , Yicheng Liu , Wenwo Tang , Fanhua Shang , Hongying Liu , Qigong Sun , Licheng Jiao

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of…

Machine Learning · Computer Science 2023-05-30 Jiaqi Sun , Lin Zhang , Guangyi Chen , Kun Zhang , Peng XU , Yujiu Yang

We introduce a Gaussian Prototype Layer for gradient-based prototype learning and demonstrate two novel network architectures for explainable segmentation one of which relies on region proposals. Both models are evaluated on agricultural…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Michael Gerstenberger , Steffen Maaß , Peter Eisert , Sebastian Bosse

We present polynomial-augmented neural networks (PANNs), a novel machine learning architecture that combines deep neural networks (DNNs) with a polynomial approximant. PANNs combine the strengths of DNNs (flexibility and efficiency in…

Machine Learning · Computer Science 2025-02-25 Madison Cooley , Shandian Zhe , Robert M. Kirby , Varun Shankar

Pre-trained graph models (PGMs) aim to capture transferable inherent structural properties and apply them to different downstream tasks. Similar to pre-trained language models, PGMs also inherit biases from human society, resulting in…

Machine Learning · Computer Science 2024-02-21 Zhongjian Zhang , Mengmei Zhang , Yue Yu , Cheng Yang , Jiawei Liu , Chuan Shi

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Among interpretable machine learning methods, the class of Generalised Additive Neural Networks (GANNs) is referred to as Self-Explaining Neural Networks (SENN) because of the linear dependence on explicit functions of the inputs. In binary…

Machine Learning · Computer Science 2021-06-17 Paulo J. G. Lisboa , Sandra Ortega-Martorell , Sadie Cashman , Ivan Olier

Graph neural networks (GNNs) learn representations from network data with naturally distributed architectures, rendering them well-suited candidates for decentralized learning. Oftentimes, this decentralized graph support changes with time…

Machine Learning · Computer Science 2020-10-27 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Machine Learning · Computer Science 2026-02-13 Mohit Meena , Yash Punjabi , Abhishek A , Vishal Sharma , Mahesh Chandran

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph…

Machine Learning · Computer Science 2025-01-22 Yufei He , Yuan Sui , Xiaoxin He , Bryan Hooi

Tabular data prediction (TDP) is one of the most popular industrial applications, and various methods have been designed to improve the prediction performance. However, existing works mainly focus on feature interactions and ignore sample…

Machine Learning · Computer Science 2021-08-23 Xiawei Guo , Yuhan Quan , Huan Zhao , Quanming Yao , Yong Li , Weiwei Tu

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

Machine Learning · Computer Science 2023-06-28 Haitz Sáez de Ocáriz Borde , Anees Kazi , Federico Barbero , Pietro Liò

Neural networks, with powerful nonlinear mapping and classification capabilities, are widely applied in mechanical fault diagnosis to ensure safety. However, being typical black-box models, their application is limited in…

Machine Learning · Computer Science 2025-02-11 Qian Chen , Xingjian Dong , Zhike Peng