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This paper proposes a metric to measure the dissimilarity between graphs that may have a different number of nodes. The proposed metric extends the generalised optimal subpattern assignment (GOSPA) metric, which is a metric for sets, to…

Social and Information Networks · Computer Science 2024-08-28 Jinhao Gu , Ángel F. García-Fernández , Robert E. Firth , Lennart Svensson

Recent years have witnessed a flurry of research activity in graph matching, which aims at finding the correspondence of nodes across two graphs and lies at the heart of many artificial intelligence applications. However, matching…

Machine Learning · Computer Science 2021-12-21 Weijie Liu , Hui Qian , Chao Zhang , Jiahao Xie , Zebang Shen , Nenggan Zheng

This paper investigates traffic forecasting, which attempts to forecast the future state of traffic based on historical situations. This problem has received ever-increasing attention in various scenarios and facilitated the development of…

Machine Learning · Computer Science 2024-03-05 Wei Ju , Yusheng Zhao , Yifang Qin , Siyu Yi , Jingyang Yuan , Zhiping Xiao , Xiao Luo , Xiting Yan , Ming Zhang

Optimal transport (OT) is a widely used technique for distribution alignment, with applications throughout the machine learning, graphics, and vision communities. Without any additional structural assumptions on trans-port, however, OT can…

Machine Learning · Computer Science 2021-07-20 Chi-Heng Lin , Mehdi Azabou , Eva L. Dyer

Given a graph pair $(G^1, G^2)$, graph edit distance (GED) is defined as the minimum number of edit operations converting $G^1$ to $G^2$. GED is a fundamental operation widely used in many applications, but its exact computation is NP-hard,…

Machine Learning · Computer Science 2024-12-30 Qihao Cheng , Da Yan , Tianhao Wu , Zhongyi Huang , Qin Zhang

Graph neural networks (GNNs) have emerged as a powerful tool for solving combinatorial optimization problems (COPs), exhibiting state-of-the-art performance in both graph-structured and non-graph-structured domains. However, existing…

Artificial Intelligence · Computer Science 2024-06-21 Yaochu Jin , Xueming Yan , Shiqing Liu , Xiangyu Wang

We propose a protocol optimization technique that is applicable to both weighted or unweighted graphs. Our aim is to explore by how much a small variation around the Shortest Path or Optimal Path protocols can enhance protocol performance.…

Physics and Society · Physics 2015-05-19 Jose J. Ramasco , Marta S. de la Lama , Eduardo Lopez , Stefan Boettcher

We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

Machine Learning · Computer Science 2019-01-30 Wengong Jin , Kevin Yang , Regina Barzilay , Tommi Jaakkola

In this paper, we study the problem of map matching with travel time constraints. Given a sequence of $k$ spatio-temporal measurements and an embedded path graph with travel time costs, the goal is to snap each measurement to a close-by…

Computational Geometry · Computer Science 2025-06-24 Yannick Bosch , Sabine Storandt

Optimal transport (OT) provides effective tools for comparing and mapping probability measures. We propose to leverage the flexibility of neural networks to learn an approximate optimal transport map. More precisely, we present a new and…

Machine Learning · Computer Science 2022-07-06 Florentin Coeurdoux , Nicolas Dobigeon , Pierre Chainais

This paper presents a novel two-step approach for the fundamental problem of learning an optimal map from one distribution to another. First, we learn an optimal transport (OT) plan, which can be thought as a one-to-many map between the two…

Modern autonomous vehicles and robots utilize versatile sensors for localization and mapping. The fidelity of these maps is paramount, as an accurate environmental representation is a prerequisite for stable and precise localization. Factor…

Robotics · Computer Science 2026-02-10 Mark Griguletskii , Danil Belov , Pavel Osinenko

Graph transformers typically lack third-order interactions, limiting their geometric understanding which is crucial for tasks like molecular geometry prediction. We propose the Triplet Graph Transformer (TGT) that enables direct…

Machine Learning · Computer Science 2025-09-10 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

Current graph neural network (GNN) architectures naively average or sum node embeddings into an aggregated graph representation -- potentially losing structural or semantic information. We here introduce OT-GNN, a model that computes graph…

Machine Learning · Statistics 2021-10-12 Benson Chen , Gary Bécigneul , Octavian-Eugen Ganea , Regina Barzilay , Tommi Jaakkola

Optimal transport (OT) distances between probability distributions are parameterized by the ground metric they use between observations. Their relevance for real-life applications strongly hinges on whether that ground metric parameter is…

Machine Learning · Statistics 2020-11-06 Matthieu Heitz , Nicolas Bonneel , David Coeurjolly , Marco Cuturi , Gabriel Peyré

Optimal transport between graphs, based on Gromov-Wasserstein and other extensions, is a powerful tool for comparing and aligning graph structures. However, solving the associated non-convex optimization problems is computationally…

Machine Learning · Computer Science 2025-07-09 Sonia Mazelet , Rémi Flamary , Bertrand Thirion

Structured sparse optimization is an important and challenging problem for analyzing high-dimensional data in a variety of applications such as bioinformatics, medical imaging, social networks, and astronomy. Although a number of structured…

Artificial Intelligence · Computer Science 2016-10-03 Baojian Zhou , Feng Chen

The graph edit distance is used for comparing graphs in various domains. Due to its high computational complexity it is primarily approximated. Widely-used heuristics search for an optimal assignment of vertices based on the distance…

Data Structures and Algorithms · Computer Science 2023-12-08 Franka Bause , Christian Permann , Nils M. Kriege

We investigate the problem of efficiently computing optimal transport (OT) distances, which is equivalent to the node-capacitated minimum cost maximum flow problem in a bipartite graph. We compare runtimes in computing OT distances on data…

Data Structures and Algorithms · Computer Science 2020-07-07 Yihe Dong , Yu Gao , Richard Peng , Ilya Razenshteyn , Saurabh Sawlani

Knowledge graph entity typing (KGET) aims to infer missing entity type instances in knowledge graphs. Previous research has predominantly centered around leveraging contextual information associated with entities, which provides valuable…

Artificial Intelligence · Computer Science 2024-05-24 Zhiwei Hu , Víctor Gutiérrez-Basulto , Zhiliang Xiang , Ru Li , Jeff Z. Pan