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Recently, the Gromov-Wasserstein Optimal Transport (GWOT) problem has attracted the special attention of the ML community. In this problem, given two distributions supported on two (possibly different) spaces, one has to find the most…

Machine Learning · Computer Science 2025-10-02 Xavier Aramayo Carrasco , Maksim Nekrashevich , Petr Mokrov , Evgeny Burnaev , Alexander Korotin

Federated Graph Learning (FGL) enables collaborative learning over distributed graph data, yet existing approaches largely rely on a closed-world assumption, limiting their applicability in dynamic environments where novel categories…

Machine Learning · Computer Science 2026-05-12 Zhongzheng Yuan , Lianshuai Guo , Xunkai Li , Wenyu Wang , Meixia Qu

Stars' chemical signatures provide invaluable insights into stellar cluster formation. This study utilized the Weisfeiler-Lehman (WL) Graph Kernel to examine a 15-dimensional elemental abundance space. Through simulating chemical…

Astrophysics of Galaxies · Physics 2023-06-27 Yuan-Sen Ting , Bhavesh Sharma

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

We propose the Gaussian Gated Linear Network (G-GLN), an extension to the recently proposed GLN family of deep neural networks. Instead of using backpropagation to learn features, GLNs have a distributed and local credit assignment…

Machine Learning · Computer Science 2020-10-22 David Budden , Adam Marblestone , Eren Sezener , Tor Lattimore , Greg Wayne , Joel Veness

Although recent advances in higher-order Graph Neural Networks (GNNs) improve the theoretical expressiveness and molecular property predictive performance, they often fall short of the empirical performance of models that explicitly use…

Machine Learning · Computer Science 2024-07-26 Tom Wollschläger , Niklas Kemper , Leon Hetzel , Johanna Sommer , Stephan Günnemann

Graph node classification is a fundamental task in graph neural networks (GNNs), aiming to assign predefined class labels to nodes. On the PubMed citation network dataset, we observe significant classification difficulty disparities, with…

Machine Learning · Computer Science 2026-01-13 Zihang Ma , Qitian Yin

In this paper, we present a novel interpretation of the so-called Weisfeiler-Lehman (WL) distance, introduced by Chen et al. (2022), using concepts from stochastic processes. The WL distance aims at comparing graphs with node features, has…

Machine Learning · Computer Science 2023-10-03 Samantha Chen , Sunhyuk Lim , Facundo Mémoli , Zhengchao Wan , Yusu Wang

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

Generalized Category Discovery (GCD) aims to cluster unlabeled images into known and novel categories using labeled images from known classes. To address the challenge of transferring features from known to unknown classes while mitigating…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Bhupendra Solanki , Ashwin Nair , Mainak Singha , Souradeep Mukhopadhyay , Ankit Jha , Biplab Banerjee

Graph convolutional networks (GCNs) update a node's feature vector by aggregating features from its neighbors in the graph. This ignores potentially useful contributions from distant nodes. Identifying such useful distant contributions is…

Artificial Intelligence · Computer Science 2020-03-03 Hesham Mostafa , Marcel Nassar

Integrating Pre-trained Language Models (PLMs) with Graph Neural Networks (GNNs) remains a central challenge in text-rich heterophilic graph learning. We propose a novel integration framework that enables effective fusion between powerful…

Computation and Language · Computer Science 2025-10-09 Aarush Sinha

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Graph neural networks (GNNs) demonstrate outstanding performance in a broad range of applications. While the majority of GNN applications assume that a graph structure is given, some recent methods substantially expanded the applicability…

Recently, graph convolutional networks (GCNs) have shown great potential for the task of graph matching. It can integrate graph node feature embedding, node-wise affinity learning and matching optimization together in a unified end-to-end…

Computer Vision and Pattern Recognition · Computer Science 2019-11-19 Bo Jiang , Pengfei Sun , Jin Tang , Bin Luo

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

Machine Learning · Computer Science 2020-08-19 Katsuhiko Ishiguro , Kenta Oono , Kohei Hayashi

Gromov--Wasserstein optimal transport (GWOT) aligns metric measure spaces by matching their within-domain relational structures, but large-scale GWOT remains challenging because its objective is nonconvex and projection onto the transport…

Machine Learning · Computer Science 2026-05-07 Ling Liang , Lei Yang

In this paper, we study the design and analysis of a class of efficient algorithms for computing the Gromov-Wasserstein (GW) distance tailored to large-scale graph learning tasks. Armed with the Luo-Tseng error bound…

Machine Learning · Computer Science 2022-12-15 Jiajin Li , Jianheng Tang , Lemin Kong , Huikang Liu , Jia Li , Anthony Man-Cho So , Jose Blanchet

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

Machine Learning · Computer Science 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

Data Structures and Algorithms · Computer Science 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel