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Current graph neural network (GNN) architectures naively average or sum node embeddings into an aggregated graph representation -- potentially losing structural or semantic information. We here introduce OT-GNN, a model that computes graph…

Machine Learning · Statistics 2021-10-12 Benson Chen , Gary Bécigneul , Octavian-Eugen Ganea , Regina Barzilay , Tommi Jaakkola

We present a novel framework based on optimal transport for the challenging problem of comparing graphs. Specifically, we exploit the probabilistic distribution of smooth graph signals defined with respect to the graph topology. This allows…

Machine Learning · Computer Science 2019-12-09 Hermina Petric Maretic , Mireille EL Gheche , Giovanni Chierchia , Pascal Frossard

Understanding the generalization of deep neural networks is one of the most important tasks in deep learning. Although much progress has been made, theoretical error bounds still often behave disparately from empirical observations. In this…

Machine Learning · Computer Science 2021-11-09 Ching-Yao Chuang , Youssef Mroueh , Kristjan Greenewald , Antonio Torralba , Stefanie Jegelka

Cross-domain alignment between two sets of entities (e.g., objects in an image, words in a sentence) is fundamental to both computer vision and natural language processing. Existing methods mainly focus on designing advanced attention…

Computation and Language · Computer Science 2020-07-28 Liqun Chen , Zhe Gan , Yu Cheng , Linjie Li , Lawrence Carin , Jingjing Liu

Distance measures between graphs are important primitives for a variety of learning tasks. In this work, we describe an unsupervised, optimal transport based approach to define a distance between graphs. Our idea is to derive…

Computational Engineering, Finance, and Science · Computer Science 2024-04-11 Michael Scholkemper , Damin Kühn , Gerion Nabbefeld , Simon Musall , Björn Kampa , Michael T. Schaub

Existing generalization bounds fail to explain crucial factors that drive the generalization of modern neural networks. Since such bounds often hold uniformly over all parameters, they suffer from over-parametrization and fail to account…

Machine Learning · Statistics 2023-11-14 Songyan Hou , Parnian Kassraie , Anastasis Kratsios , Andreas Krause , Jonas Rothfuss

Graph condensation (GC) aims to distill the original graph into a small-scale graph, mitigating redundancy and accelerating GNN training. However, conventional GC approaches heavily rely on rigid GNNs and task-specific supervision. Such a…

Machine Learning · Computer Science 2025-09-19 Yeyu Yan , Shuai Zheng , Wenjun Hui , Xiangkai Zhu , Dong Chen , Zhenfeng Zhu , Yao Zhao , Kunlun He

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

Machine Learning · Computer Science 2023-05-16 Huayi Tang , Yong Liu

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

Machine Learning · Computer Science 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

In many real-world contexts, such as social or transport networks, data exhibit both structural connectivity and node-level attributes. For example, roads in a transport network can be characterized not only by their connectivity but also…

Methodology · Statistics 2025-12-18 Ioana Gavra , Ketsia Guichard-Sustowski , Loïc Le Marrec

We analyze the universality and generalization of graph neural networks (GNNs) on attributed graphs, i.e., with node attributes. To this end, we propose pseudometrics over the space of all attributed graphs that describe the fine-grained…

Machine Learning · Computer Science 2025-08-27 Levi Rauchwerger , Stefanie Jegelka , Ron Levie

Generalizing knowledge to unseen domains, where data and labels are unavailable, is crucial for machine learning models. We tackle the domain generalization problem to learn from multiple source domains and generalize to a target domain…

Computer Vision and Pattern Recognition · Computer Science 2022-04-06 Fan Zhou , Zhuqing Jiang , Changjian Shui , Boyu Wang , Brahim Chaib-draa

We derive upper bounds on the generalization error of learning algorithms based on their \emph{algorithmic transport cost}: the expected Wasserstein distance between the output hypothesis and the output hypothesis conditioned on an input…

Machine Learning · Statistics 2018-11-09 Jingwei Zhang , Tongliang Liu , Dacheng Tao

Recently, the pretrain-finetuning paradigm has attracted tons of attention in graph learning community due to its power of alleviating the lack of labels problem in many real-world applications. Current studies use existing techniques, such…

Machine Learning · Computer Science 2022-05-11 Jiying Zhang , Xi Xiao , Long-Kai Huang , Yu Rong , Yatao Bian

In this paper, we introduce a variant of optimal transport adapted to the causal structure given by an underlying directed graph $G$. Different graph structures lead to different specifications of the optimal transport problem. For…

Statistics Theory · Mathematics 2024-07-08 Patrick Cheridito , Stephan Eckstein

Generative Adversarial Networks (GANs) are one of the most practical methods for learning data distributions. A popular GAN formulation is based on the use of Wasserstein distance as a metric between probability distributions.…

Machine Learning · Computer Science 2018-05-23 Maziar Sanjabi , Jimmy Ba , Meisam Razaviyayn , Jason D. Lee

Unsupervised graph alignment aims to find the node correspondence across different graphs without any anchor node pairs. Despite the recent efforts utilizing deep learning-based techniques, such as the embedding and optimal transport…

Machine Learning · Computer Science 2026-03-10 Songyang Chen , Youfang Lin , Yu Liu , Shuai Zheng , Lei Zou

One of the fundamental challenges in the deep learning community is to theoretically understand how well a deep neural network generalizes to unseen data. However, current approaches often yield generalization bounds that are either too…

Machine Learning · Computer Science 2024-07-23 Chengli Tan , Jiangshe Zhang , Junmin Liu

It is known that the current graph neural networks (GNNs) are difficult to make themselves deep due to the problem known as over-smoothing. Multi-scale GNNs are a promising approach for mitigating the over-smoothing problem. However, there…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization…

Machine Learning · Computer Science 2024-12-17 Rayna Andreeva , Benjamin Dupuis , Rik Sarkar , Tolga Birdal , Umut Şimşekli
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