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The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and…

Machine Learning · Computer Science 2026-05-19 Shen Han , Zhiyao Zhou , Jiawei Chen , Sheng Zhou , Canghong Jin , Hai Lin , Da Zhong Li , Bingde Hu , Can Wang

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural…

Machine Learning · Computer Science 2021-09-07 Weilin Cong , Rana Forsati , Mahmut Kandemir , Mehrdad Mahdavi

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

Machine Learning · Computer Science 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

We propose a novel iterative method to adapt a a graph to d-dimensional image data. The method drives the nodes of the graph towards image features. The adaptation process naturally lends itself to a measure of feature saliency which can…

Computer Vision and Pattern Recognition · Computer Science 2019-09-06 Alberto Gomez , Veronika A. Zimmer , Bishesh Khanal , Nicolas Toussaint , Julia A. Schnabel

We develop new algorithmic techniques for VLSI detailed routing. First, we improve the goal-oriented version of Dijkstra's algorithm to find shortest paths in huge incomplete grid graphs with edge costs depending on the direction and the…

Data Structures and Algorithms · Computer Science 2026-02-19 Markus Ahrens , Dorothee Henke , Stefan Rabenstein , Jens Vygen

Edge-Geodetic Sets play a crucial role in network monitoring and optimization, wherein the goal is to strategically place monitoring stations on vertices of a network, represented as a graph, to ensure complete coverage of edges and…

Computational Complexity · Computer Science 2025-06-17 Giordano Colli

Planning for Autonomous Unmanned Ground Vehicles (AUGV) is still a challenge, especially in difficult, off-road, critical situations. Automatic planning can be used to reach mission objectives, to perform navigation or maneuvers. Most of…

Artificial Intelligence · Computer Science 2021-08-03 Kevin Osanlou , Christophe Guettier , Andrei Bursuc , Tristan Cazenave , Eric Jacopin

In this paper, we consider enumeration of geodesics on a polyhedron, where a geodesic means locally-shortest path between two points. Particularly, we consider the following preprocessing problem: given a point $s$ on a polyhedral surface…

Computational Geometry · Computer Science 2023-12-27 Kazuma Tateiri

Acquiring plausible pathways on high-dimensional structural distributions is beneficial in several domains. For example, in the drug discovery field, a protein conformational pathway, i.e. a highly probable sequence of protein structural…

Quantitative Methods · Quantitative Biology 2025-06-04 Ziyad Oulhaj , Yoshiyuki Ishii , Kento Ohga , Kimihiro Yamazaki , Mutsuyo Wada , Yuhei Umeda , Takashi Kato , Yuichiro Wada , Hiroaki Kurihara

Trajectory optimization (TO) aims to find a sequence of valid states while minimizing costs. However, its fine validation process is often costly due to computationally expensive collision searches, otherwise coarse searches lower the…

Robotics · Computer Science 2023-09-07 Yeseung Kim , Jinwoo Kim , Daehyung Park

Graph-structured data is central to many scientific and industrial domains, where the goal is often to optimize objectives defined over graph structures. Given the combinatorial complexity of graph spaces, such optimization problems are…

Optimization and Control · Mathematics 2025-09-25 Shiqiang Zhang , Ruth Misener

Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes…

Graph Neural Networks (GNNs) have been extensively used for mining graph-structured data with impressive performance. However, because these traditional GNNs do not distinguish among various downstream tasks, embeddings embedded by them are…

Machine Learning · Computer Science 2024-09-20 Jianpeng Chen , Yujing Wang , Ming Zeng , Zongyi Xiang , Bitan Hou , Yunhai Tong , Ole J. Mengshoel , Yazhou Ren

We investigate the dependence of the approximation capacity of deep residual networks on its depth in a continuous dynamical systems setting. This can be formulated as the general problem of quantifying the minimal time-horizon required to…

Machine Learning · Computer Science 2026-03-19 Jingpu Cheng , Qianxiao Li , Ting Lin , Zuowei Shen

Graph learning problems are typically approached by focusing on learning the topology of a single graph when signals from all nodes are available. However, many contemporary setups involve multiple related networks and, moreover, it is…

Signal Processing · Electrical Eng. & Systems 2022-12-06 Samuel Rey , Madeline Navarro , Andrei Buciulea , Santiago Segarra , Antonio G. Marques

Targeting at depicting land covers with pixel-wise semantic categories, semantic segmentation in remote sensing images needs to portray diverse distributions over vast geographical locations, which is difficult to be achieved by the…

Image and Video Processing · Electrical Eng. & Systems 2022-10-05 Kunping Yang , Xin-Yi Tong , Gui-Song Xia , Weiming Shen , Liangpei Zhang

Main path analysis has long been used to trace knowledge trajectories in citation networks, yet it lacks solid theoretical foundations. To understand when and why this approach succeeds, we analyse directed acyclic graphs created from two…

Physics and Society · Physics 2025-12-16 H. C. W. Price , T. S. Evans

We investigate the Minimum Eccentricity Shortest Path problem in some structured graph classes. It asks for a given graph to find a shortest path with minimum eccentricity. Although it is NP-hard in general graphs, we demonstrate that a…

Discrete Mathematics · Computer Science 2015-11-17 Feodor F. Dragan , Arne Leitert

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Streets networks provide an invaluable source of information about the different temporal and spatial patterns emerging in our cities. These streets are often represented as graphs where intersections are modelled as nodes and streets as…

Machine Learning · Statistics 2022-11-10 Mateo Neira , Roberto Murcio