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Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases.…

Machine Learning · Computer Science 2026-05-19 Stefano Carotti , Marco Pacini , Alessio Gravina , Davide Bacciu , Bruno Lepri , Sebastiano Bontorin

Graph classification has gained significant attention due to its applications in chemistry, social networks, and bioinformatics. While Graph Neural Networks (GNNs) effectively capture local structural patterns, they often overlook global…

Machine Learning · Computer Science 2025-12-03 Ahmet Sami Korkmaz , Selim Coskunuzer , Md Joshem Uddin

Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these…

Machine Learning · Computer Science 2021-11-01 Yuzhou Chen , Baris Coskunuzer , Yulia R. Gel

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

Machine Learning · Computer Science 2023-08-30 Andrea Cavallo , Claas Grohnfeldt , Michele Russo , Giulio Lovisotto , Luca Vassio

Art is a deeply personal and expressive medium, where each artist brings their own style, technique, and cultural background into their work. Traditionally, identifying artistic styles has been the job of art historians or critics, relying…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Reetikaa Reddy Munnangi , Barbara Giunti

The analysis of nonlinear dynamics is an important issue in numerous fields of science. In this study, we propose a new method to analyze the time series data using persistent homology (PH). The key idea is the application of PH to the…

Data Analysis, Statistics and Probability · Physics 2023-04-04 Takashi Ichinomiya

Hypergraphs, as a generalization of traditional graphs, naturally capture high-order relationships. In recent years, hypergraph neural networks (HNNs) have been widely used to capture complex high-order relationships. However, most existing…

Machine Learning · Computer Science 2025-11-25 Renchu Guan , Xuyang Li , Yachao Zhang , Wei Pang , Fausto Giunchiglia , Ximing Li , Yonghao Liu , Xiaoyue Feng

Topological data analysis uses tools from topology -- the mathematical area that studies shapes -- to create representations of data. In particular, in persistent homology, one studies one-parameter families of spaces associated with data,…

Machine Learning · Computer Science 2020-12-01 Guido Montúfar , Nina Otter , Yuguang Wang

Graph neural networks (GNNs) have emerged as the standard method for numerous tasks on graph-structured data such as node classification. However, real-world graphs are often evolving over time and even new classes may arise. We model these…

Machine Learning · Computer Science 2021-12-21 Lukas Galke , Benedikt Franke , Tobias Zielke , Ansgar Scherp

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

We characterize structures such as monotonicity, convexity, and modality in smooth regression curves using persistent homology. Persistent homology is a key tool in topological data analysis that detects higher-dimensional topological…

Algebraic Topology · Mathematics 2025-10-28 Satish Kumar , Subhra Sankar Dhar

Despite significant advances in graph representation learning, little attention has been paid to the more practical continual learning scenario in which new categories of nodes (e.g., new research areas in citation networks, or new types of…

Machine Learning · Computer Science 2021-12-01 Xikun Zhang , Dongjin Song , Dacheng Tao

Simplicial complexes can be viewed as high dimensional generalizations of graphs that explicitly encode multi-way ordered relations between vertices at different resolutions, all at once. This concept is central towards detection of higher…

Machine Learning · Computer Science 2022-07-05 Alexandros Dimitrios Keros , Vidit Nanda , Kartic Subr

We present a unified pipeline for univariate time series classification via complex networks and persistent homology. A time series is mapped to a graph through one of five constructions across three families (visibility (natural and…

Algebraic Topology · Mathematics 2026-05-05 İsmail Güzel

$1$-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

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the…

Machine Learning · Computer Science 2024-02-08 David Loiseaux , Luis Scoccola , Mathieu Carrière , Magnus Bakke Botnan , Steve Oudot

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal…

Social and Information Networks · Computer Science 2026-05-19 Huan Liu , Pengfei Jiao , Mengzhou Gao , Chaochao Chen , Di Jin

To analyze the topological properties of the given discrete data, one needs to consider a continuous transform called filtration. Persistent homology serves as a tool to track changes of homology in the filtration. The outcome of the…

Optimization and Control · Mathematics 2024-10-08 Keunsu Kim , Jae-Hun Jung
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