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Effectively combining logic reasoning and probabilistic inference has been a long-standing goal of machine learning: the former has the ability to generalize with small training data, while the latter provides a principled framework for…

机器学习 · 计算机科学 2019-09-24 Yuyu Zhang , Xinshi Chen , Yuan Yang , Arun Ramamurthy , Bo Li , Yuan Qi , Le Song

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

机器学习 · 计算机科学 2025-02-04 Jiawei E , Yinglong Zhang , Xuewen Xia , Xing Xu

An essential goal in mechanistic interpretability to decode a network, i.e., to convert a neural network's raw weights to an interpretable algorithm. Given the difficulty of the decoding problem, progress has been made to understand the…

机器学习 · 计算机科学 2023-12-07 Isaac Liao , Ziming Liu , Max Tegmark

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…

机器学习 · 计算机科学 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…

机器学习 · 计算机科学 2023-08-30 Marc Christiansen , Lea Villadsen , Zhiqiang Zhong , Stefano Teso , Davide Mottin

Multiplex graphs, with multiple edge types (graph views) among common nodes, provide richer structural semantics and better modeling capabilities. Multiplex Graph Neural Networks (MGNNs), typically comprising view-specific GNNs and a…

机器学习 · 计算机科学 2025-02-11 Yunhui Liu , Zhen Tao , Xiang Zhao , Jianhua Zhao , Tao Zheng , Tieke He

Brain graphs, which model the structural and functional relationships between brain regions, are crucial in neuroscientific and clinical applications involving graph classification. However, dense brain graphs pose computational challenges…

机器学习 · 计算机科学 2023-06-27 Gaotang Li , Marlena Duda , Xiang Zhang , Danai Koutra , Yujun Yan

In this paper we present ExSpliNet, an interpretable and expressive neural network model. The model combines ideas of Kolmogorov neural networks, ensembles of probabilistic trees, and multivariate B-spline representations. We give a…

机器学习 · 计算机科学 2022-05-04 Daniele Fakhoury , Emanuele Fakhoury , Hendrik Speleers

Despite the Graph Neural Networks' (GNNs) proficiency in analyzing graph data, achieving high-accuracy and interpretable predictions remains challenging. Existing GNN interpreters typically provide post-hoc explanations disjointed from…

机器学习 · 计算机科学 2024-07-26 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

机器学习 · 计算机科学 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

Deep neural networks (DNNs) have shown exceptional performances in a wide range of tasks and have become the go-to method for problems requiring high-level predictive power. There has been extensive research on how DNNs arrive at their…

机器学习 · 计算机科学 2023-02-21 Mattias Luber , Anton Thielmann , Benjamin Säfken

Unlike conventional "black-box" transformers with classical self-attention mechanism, we build a lightweight and interpretable transformer-like neural net by unrolling a mixed-graph-based optimization algorithm to forecast traffic with…

机器学习 · 计算机科学 2026-02-04 Ji Qi , Tam Thuc Do , Mingxiao Liu , Zhuoshi Pan , Yuzhe Li , Gene Cheung , H. Vicky Zhao

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

机器学习 · 计算机科学 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

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…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Heterogeneous graph neural networks (HeteGNNs) have demonstrated strong abilities to learn node representations by effectively extracting complex structural and semantic information in heterogeneous graphs. Most of the prevailing HeteGNNs…

机器学习 · 计算机科学 2025-05-08 Hong Jin , Kaicheng Zhou , Jie Yin , Lan You , Zhifeng Zhou

Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

机器学习 · 计算机科学 2025-02-05 Xiyuan Wang , Yewei Liu , Lexi Pang , Siwei Chen , Muhan Zhang

We propose the Tikhonov layer, a graph neural network layer that is interpretable by design: once trained, its learned parameters directly reveal which node features and which aspects of the graph topology were leveraged for prediction. In…

机器学习 · 计算机科学 2026-05-28 Nicolas Tremblay , Benjamin Ricaud , Filippo Maria Bianchi

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

机器学习 · 计算机科学 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Graph Neural Networks (GNNs) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes…

机器学习 · 计算机科学 2026-03-05 Matteo De Sanctis , Riccardo De Sanctis , Stefano Faralli , Paola Velardi , Bardh Prenkaj
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