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Real-world heterogeneous graphs are inherently noisy and usually not in the optimal graph structures for downstream tasks, which often adversely affects the performance of GRL models in downstream tasks. Although Graph Structure Learning…

Machine Learning · Computer Science 2026-04-08 He Zhao , Zhiwei Zeng , Yongwei Wang , Chunyan Miao

Geometric deep learning (GDL) has demonstrated huge power and enormous potential in molecular data analysis. However, a great challenge still remains for highly efficient molecular representations. Currently, covalent-bond-based molecular…

Computational Physics · Physics 2023-06-28 Cong Shen , Jiawei Luo , Kelin Xia

In the vast landscape of visualization research, Dimensionality Reduction (DR) and graph analysis are two popular subfields, often essential to most visual data analytics setups. DR aims to create representations to support neighborhood and…

Machine Learning · Computer Science 2024-12-10 Fernando Paulovich , Alessio Arleo , Stef van den Elzen

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

During the last decade, Machine Learning (ML) has increasingly become a hot topic in the field of Computer Networks and is expected to be gradually adopted for a plethora of control, monitoring and management tasks in real-world…

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Machine Learning · Computer Science 2023-12-27 Jiangmeng Li , Yifan Jin , Hang Gao , Wenwen Qiang , Changwen Zheng , Fuchun Sun

Data-centric AI, with its primary focus on the collection, management, and utilization of data to drive AI models and applications, has attracted increasing attention in recent years. In this article, we conduct an in-depth and…

Machine Learning · Computer Science 2023-09-21 Xin Zheng , Yixin Liu , Zhifeng Bao , Meng Fang , Xia Hu , Alan Wee-Chung Liew , Shirui Pan

Knowledge graphs (KGs) are crucial for representing and reasoning over structured information, supporting a wide range of applications such as information retrieval, question answering, and decision-making. However, their effectiveness is…

Computation and Language · Computer Science 2024-12-13 Udari Madhushani Sehwag , Kassiani Papasotiriou , Jared Vann , Sumitra Ganesh

Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

Machine Learning · Statistics 2021-06-18 Tomoki Yoshida , Ichiro Takeuchi , Masayuki Karasuyama

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the…

Machine Learning · Computer Science 2026-01-09 Yun Young Choi , Sun Woo Park , Minho Lee , Youngho Woo

Combinatorial and topological structures, such as graphs, simplicial complexes, and cell complexes, form the foundation of geometric and topological deep learning (GDL and TDL) architectures. These models aggregate signals over such…

Machine Learning · Computer Science 2026-05-28 Chuan-Shen Hu

Topology applied to real world data using persistent homology has started to find applications within machine learning, including deep learning. We present a differentiable topology layer that computes persistent homology based on level set…

Many complex engineering systems can be represented in a topological form, such as graphs. This paper utilizes a machine learning technique called Geometric Deep Learning (GDL) to aid designers with challenging, graph-centric design…

Computational Engineering, Finance, and Science · Computer Science 2023-08-07 Anthony Sirico , Daniel R. Herber

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to…

Machine Learning · Computer Science 2024-02-12 Qiheng Mao , Zemin Liu , Chenghao Liu , Zhuo Li , Jianling Sun

$1$-parameter persistent homology, a cornerstone in Topological Data Analysis (TDA), studies the evolution of topological features such as connected components and cycles hidden in data. It has been applied to enhance the representation…

Machine Learning · Computer Science 2023-07-03 Cheng Xin , Soham Mukherjee , Shreyas N. Samaga , Tamal K. Dey

Representation learning on graphs is a fundamental problem that can be crucial in various tasks. Graph neural networks, the dominant approach for graph representation learning, are limited in their representation power. Therefore, it can be…

Machine Learning · Computer Science 2025-01-17 Zuoyu Yan , Qi Zhao , Ze Ye , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

The rise of graph-structured data has driven major advances in Graph Machine Learning (GML), where graph embeddings (GEs) map features from Knowledge Graphs (KGs) into vector spaces, enabling tasks like node classification and link…

Machine Learning · Computer Science 2026-01-27 Rosario Napoli , Gabriele Morabito , Antonio Celesti , Massimo Villari , Maria Fazio

This work seeks to tackle the inherent complexity of dataspaces by introducing a novel data structure that can represent datasets across multiple levels of abstraction, ranging from local to global. We propose the concept of a multilevel…

Data Structures and Algorithms · Computer Science 2025-04-01 Marco Caputo , Michele Russo , Emanuela Merelli

A graph is a powerful concept for representation of relations between pairs of entities. Data with underlying graph structure can be found across many disciplines and there is a natural desire for understanding such data better. Deep…

Machine Learning · Computer Science 2019-01-25 Martin Simonovsky

The rise of graph analytic systems has created a need for ways to measure and compare the capabilities of these systems. Graph analytics present unique scalability difficulties. The machine learning, high performance computing, and visual…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-07 Siddharth Samsi , Vijay Gadepally , Michael Hurley , Michael Jones , Edward Kao , Sanjeev Mohindra , Paul Monticciolo , Albert Reuther , Steven Smith , William Song , Diane Staheli , Jeremy Kepner