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Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

Machine Learning · Computer Science 2022-02-28 Aosong Feng , Chenyu You , Shiqiang Wang , Leandros Tassiulas

Graph neural networks (GNNs) have been utilized for various natural language processing (NLP) tasks lately. The ability to encode corpus-wide features in graph representation made GNN models popular in various tasks such as document…

Machine Learning · Computer Science 2022-11-30 Sara Salamat , Nima Tavassoli , Behnam Sabeti , Reza Fahmi

Graph Learning (GL) is at the core of inference and analysis of connections in data mining and machine learning (ML). By observing a dataset of graph signals, and considering specific assumptions, Graph Signal Processing (GSP) tools can…

Machine Learning · Computer Science 2022-11-08 Aref Einizade , Sepideh Hajipour Sardouie

Representing a graph as a vector is a challenging task; ideally, the representation should be easily computable and conducive to efficient comparisons among graphs, tailored to the particular data and analytical task at hand. Unfortunately,…

Social and Information Networks · Computer Science 2018-11-16 Anton Tsitsulin , Davide Mottin , Panagiotis Karras , Alex Bronstein , Emmanuel Müller

Imitation learning is a powerful machine learning algorithm for a robot to acquire manipulation skills. Nevertheless, many real-world manipulation tasks involve precise and dexterous robot-object interactions, which make it difficult for…

Robotics · Computer Science 2024-07-23 Zhao-Heng Yin , Pieter Abbeel

Classical graph algorithms work well for combinatorial problems that can be thoroughly formalized and abstracted. Once the algorithm is derived, it generalizes to instances of any size. However, developing an algorithm that handles complex…

Machine Learning · Computer Science 2022-12-12 Florian Grötschla , Joël Mathys , Roger Wattenhofer

Graph Neural Networks (GNNs) typically scale with the number of graph edges, making them well suited for sparse graphs but less efficient on dense graphs, such as point clouds or molecular interactions. A common remedy is to sparsify the…

Machine Learning · Computer Science 2025-12-03 Shiyu Chen , Ningyuan Huang , Soledad Villar

Node classification is a key task in temporal graph learning (TGL). Real-life temporal graphs often introduce new node classes over time, but existing TGL methods assume a fixed set of classes. This assumption brings limitations, as…

Machine Learning · Computer Science 2025-03-04 Hanmo Liu , Shimin Di , Haoyang Li , Xun Jian , Yue Wang , Lei Chen

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of…

Machine Learning · Computer Science 2023-10-10 Zhixun Li , Liang Wang , Xin Sun , Yifan Luo , Yanqiao Zhu , Dingshuo Chen , Yingtao Luo , Xiangxin Zhou , Qiang Liu , Shu Wu , Liang Wang , Jeffrey Xu Yu

Spectral graph embedding plays a critical role in graph representation learning by generating low-dimensional vector representations from graph spectral information. However, the embedding space of traditional spectral embedding methods…

Machine Learning · Computer Science 2026-05-19 Changjie Sheng , Zhichao Zhang , Yangfan He

As the demand for user privacy grows, controlled data removal (machine unlearning) is becoming an important feature of machine learning models for data-sensitive Web applications such as social networks and recommender systems.…

Machine Learning · Computer Science 2023-07-04 Chao Pan , Eli Chien , Olgica Milenkovic

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision…

Machine Learning · Computer Science 2023-04-11 Han Gao , Xu Han , Jiaoyang Huang , Jian-Xun Wang , Li-Ping Liu

Many irregular domains such as social networks, financial transactions, neuron connections, and natural language constructs are represented using graph structures. In recent years, a variety of graph neural networks (GNNs) have been…

Machine Learning · Computer Science 2021-05-03 Osman Asif Malik , Shashanka Ubaru , Lior Horesh , Misha E. Kilmer , Haim Avron

Recently emerged Topological Deep Learning (TDL) methods aim to extend current Graph Neural Networks (GNN) by naturally processing higher-order interactions, going beyond the pairwise relations and local neighborhoods defined by graph…

The performance analytics domain in High Performance Computing (HPC) uses tabular data to solve regression problems, such as predicting the execution time. Existing Machine Learning (ML) techniques leverage the correlations among features…

Machine Learning · Computer Science 2024-01-22 Tarek Ramadan , Ankur Lahiry , Tanzima Z. Islam

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Machine Learning · Computer Science 2024-11-25 Xiangyu Zhang

Graph-based semi-supervised node classification (GraphSSC) has wide applications, ranging from networking and security to data mining and machine learning, etc. However, existing centralized GraphSSC methods are impractical to solve many…

Machine Learning · Computer Science 2020-12-09 Binghui Wang , Ang Li , Hai Li , Yiran Chen

Semi-supervised learning (SSL) has tremendous value in practice due to its ability to utilize both labeled data and unlabelled data. An important class of SSL methods is to naturally represent data as graphs such that the label information…

Machine Learning · Computer Science 2021-03-01 Zixing Song , Xiangli Yang , Zenglin Xu , Irwin King

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

Machine Learning · Computer Science 2025-12-30 Ayushman Raghuvanshi , Gonzalo Mateos , Sundeep Prabhakar Chepuri