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Graph Neural Networks (GNNs) have achieved tremendous success in a variety of real-world applications by relying on the fixed graph data as input. However, the initial input graph might not be optimal in terms of specific downstream tasks,…

Machine Learning · Computer Science 2023-09-22 Beidi Zhao , Boxin Du , Zhe Xu , Liangyue Li , Hanghang Tong

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Representations of sets are challenging to learn because operations on sets should be permutation-invariant. To this end, we propose a Permutation-Optimisation module that learns how to permute a set end-to-end. The permuted set can be…

Machine Learning · Computer Science 2019-01-16 Yan Zhang , Jonathon Hare , Adam Prügel-Bennett

Graph transformer has been proven as an effective graph learning method for its adoption of attention mechanism that is capable of capturing expressive representations from complex topological and feature information of graphs. Graph…

Machine Learning · Computer Science 2024-03-26 Dongqi Fu , Zhigang Hua , Yan Xie , Jin Fang , Si Zhang , Kaan Sancak , Hao Wu , Andrey Malevich , Jingrui He , Bo Long

Permutation invariant training (PIT) is a widely used training criterion for neural network-based source separation, used for both utterance-level separation with utterance-level PIT (uPIT) and separation of long recordings with the…

Audio and Speech Processing · Electrical Eng. & Systems 2021-08-02 Thilo von Neumann , Christoph Boeddeker , Keisuke Kinoshita , Marc Delcroix , Reinhold Haeb-Umbach

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Machine Learning · Computer Science 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

In graph learning, maps between graphs and their subgraphs frequently arise. For instance, when coarsening or rewiring operations are present along the pipeline, one needs to keep track of the corresponding nodes between the original and…

Machine Learning · Computer Science 2023-02-01 Marco Pegoraro , Riccardo Marin , Arianna Rampini , Simone Melzi , Luca Cosmo , Emanuele Rodolà

We generalize the scattering transform to graphs and consequently construct a convolutional neural network on graphs. We show that under certain conditions, any feature generated by such a network is approximately invariant to permutations…

Information Theory · Computer Science 2020-09-10 Dongmian Zou , Gilad Lerman

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

We address the problem of graph classification based only on structural information. Inspired by natural language processing techniques (NLP), our model sequentially embeds information to estimate class membership probabilities. Besides, we…

Machine Learning · Computer Science 2019-05-14 Edouard Pineau , Nathan de Lara

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Machine Learning · Computer Science 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

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

In this paper, we will evaluate the performance of graph neural networks in two distinct domains: computer vision and reinforcement learning. In the computer vision section, we seek to learn whether a novel non-redundant representation for…

Machine Learning · Computer Science 2022-03-09 Naman Goyal , David Steiner

Graph classification is a pivotal challenge in machine learning, especially within the realm of graph-based data, given its importance in numerous real-world applications such as social network analysis, recommendation systems, and…

Machine Learning · Computer Science 2024-07-03 Bowen Zhang , Zhichao Huang , Genan Dai , Guangning Xu , Xiaomao Fan , Hu Huang

With the rising interest in graph representation learning, a variety of approaches have been proposed to effectively capture a graph's properties. While these approaches have improved performance in graph machine learning tasks compared to…

Machine Learning · Computer Science 2019-10-09 Antonia Gogoglou , C. Bayan Bruss , Keegan E. Hines

We address the challenging problem of deep representation learning--the efficient adaption of a pre-trained deep network to different tasks. Specifically, we propose to explore gradient-based features. These features are gradients of the…

Machine Learning · Computer Science 2020-04-14 Fangzhou Mu , Yingyu Liang , Yin Li

Graphs are one of the most important data structures for representing pairwise relations between objects. Specifically, a graph embedded in a Euclidean space is essential to solving real problems, such as physical simulations. A crucial…

Machine Learning · Computer Science 2021-03-11 Masanobu Horie , Naoki Morita , Toshiaki Hishinuma , Yu Ihara , Naoto Mitsume

Graph Neural Networks (GNNs) rely on graph convolutions to exploit meaningful patterns in networked data. Based on matrix multiplications, convolutions incur in high computational costs leading to scalability limitations in practice. To…

Machine Learning · Computer Science 2022-10-28 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

Soft Condensed Matter · Physics 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes