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$1$-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

Extended persistence is a technique from topological data analysis to obtain global multiscale topological information from a graph. This includes information about connected components and cycles that are captured by the so-called…

Machine Learning · Computer Science 2024-06-06 Simon Zhang , Soham Mukherjee , Tamal K. Dey

This paper introduces a novel approach to multi-parameter persistence using 2-categorical structures. We develop a framework that captures hierarchical interactions between filter parameters, overcoming fundamental limitations of…

Algebraic Topology · Mathematics 2025-08-06 Mauricio Angel

Graph Neural Networks (GNNs) have emerged as powerful tools for modeling graph-structured data and have been widely used in recommender systems, such as for capturing complex user-item and item-item relations. However, most industrial…

Machine Learning · Computer Science 2026-02-24 Rui Xue , Shichao Zhu , Liang Qin , Tianfu Wu

Graph embedding (GE) methods embed nodes (and/or edges) in graph into a low-dimensional semantic space, and have shown its effectiveness in modeling multi-relational data. However, existing GE models are not practical in real-world…

Machine Learning · Computer Science 2020-11-25 Xiaoyu Kou , Yankai Lin , Shaobo Liu , Peng Li , Jie Zhou , Yan Zhang

Graph contrastive learning (GCL) has recently emerged as a new concept which allows for capitalizing on the strengths of graph neural networks (GNNs) to learn rich representations in a wide variety of applications which involve abundant…

Machine Learning · Computer Science 2024-06-26 Yuzhou Chen , Jose Frias , Yulia R. Gel

To enable heterogeneous computing systems with autonomous programming and optimization capabilities, we propose a unified, end-to-end, programmable graph representation learning (PGL) framework that is capable of mining the complexity of…

Machine Learning · Computer Science 2022-04-27 Yao Xiao , Guixiang Ma , Nesreen K. Ahmed , Mihai Capota , Theodore Willke , Shahin Nazarian , Paul Bogdan

Two important tasks in the field of Topological Data Analysis are building practical multifiltrations on objects and using TDA to detect the geometry. Motivated by the tasks, we build multiparameter filtrations by operators on images named…

Computer Vision and Pattern Recognition · Computer Science 2024-11-28 Jiaxing He , Bingzhe Hou , Tieru Wu , Yue Xin

Recent years have seen substantial progress in neural generation of text, images, and audio, supported by mature training pipelines and large-scale optimization. For graphs, however, comparable progress has been more limited. We attribute…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 André Eberhard , Gerhard Neumann , Pascal Friederich

In this paper, we propose an end-to-end graph learning framework, namely Iterative Deep Graph Learning (IDGL), for jointly and iteratively learning graph structure and graph embedding. The key rationale of IDGL is to learn a better graph…

Machine Learning · Computer Science 2020-10-26 Yu Chen , Lingfei Wu , Mohammed J. Zaki

In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast…

Machine Learning · Computer Science 2019-12-18 Yu Chen , Lingfei Wu , Mohammed J. Zaki

Persistent homology, an algebraic method for discerning structure in abstract data, relies on the construction of a sequence of nested topological spaces known as a filtration. Two-parameter persistent homology allows the analysis of data…

Computational Geometry · Computer Science 2022-07-08 Anway De , Thong Vo , Matthew Wright

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen

While message passing graph neural networks result in informative node embeddings, they may suffer from describing the topological properties of graphs. To this end, node filtration has been widely used as an attempt to obtain the…

Machine Learning · Computer Science 2024-12-24 Jaesun Shin , Eunjoo Jeon , Taewon Cho , Namkyeong Cho , Youngjune Gwon

Bipedal robots are gaining global recognition due to their potential applications and advancements in artificial intelligence, particularly through Deep Reinforcement Learning (DRL). While DRL has significantly advanced bipedal locomotion,…

Robotics · Computer Science 2026-01-09 Lingfan Bao , Joseph Humphreys , Tianhu Peng , Chengxu Zhou

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 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

The introduction of the generative adversarial imitation learning (GAIL) algorithm has spurred the development of scalable imitation learning approaches using deep neural networks. Many of the algorithms that followed used a similar…

Machine Learning · Computer Science 2023-09-21 Kai Arulkumaran , Dan Ogawa Lillrank

Recently a new feature representation and data analysis methodology based on a topological tool called persistent homology (and its corresponding persistence diagram summary) has started to attract momentum. A series of methods have been…

Computational Geometry · Computer Science 2019-12-13 Qi Zhao , Yusu Wang

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang
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