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Graph neural networks (GNNs) are a class of powerful machine learning tools that model node relations for making predictions of nodes or links. GNN developers rely on quantitative metrics of the predictions to evaluate a GNN, but similar to…

Machine Learning · Computer Science 2025-07-08 Zipeng Liu , Yang Wang , Jürgen Bernard , Tamara Munzner

k-nearest neighbor (k-NN) search is a fundamental primitive in geometry processing and computer graphics. While spatial partitioning structures such as kd-trees are standard, they are often manifold-blind, failing to exploit the intrinsic…

Computational Geometry · Computer Science 2026-05-05 Pengfei Wang , Qinghao Guo , Haisen Zhao , Shiqing Xin , Shuangmin Chen , Changhe Tu , Wenping Wang

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning…

Computer Vision and Pattern Recognition · Computer Science 2021-12-21 Menglin Jia , Bor-Chun Chen , Zuxuan Wu , Claire Cardie , Serge Belongie , Ser-Nam Lim

In this paper, we introduce a method called graph fusion embedding, designed for multi-graph embedding with shared vertex sets. Under the framework of supervised learning, our method exhibits a remarkable and highly desirable synergistic…

Social and Information Networks · Computer Science 2024-06-27 Cencheng Shen , Carey E. Priebe , Jonathan Larson , Ha Trinh

Graph neural networks (GNNs) have emerged as a powerful paradigm for embedding-based entity alignment due to their capability of identifying isomorphic subgraphs. However, in real knowledge graphs (KGs), the counterpart entities usually…

Computation and Language · Computer Science 2019-11-21 Zequn Sun , Chengming Wang , Wei Hu , Muhao Chen , Jian Dai , Wei Zhang , Yuzhong Qu

We construct a hybrid quantum-classical approach for the $K$-Nearest Neighbour algorithm, where the information is embedded in a phase-distributed multimode coherent state with the assistance of a single photon. The task of finding the…

Quantum Physics · Physics 2024-04-19 Vivek Mehta , Francesco Petruccione , Utpal Roy

K-nearest neighbors (KNN) is one of the earliest and most established algorithms in machine learning. For regression tasks, KNN averages the targets within a neighborhood which poses a number of challenges: the neighborhood definition is…

Machine Learning · Computer Science 2022-05-18 Youssef Nader , Leon Sixt , Tim Landgraf

In this paper, we propose a new data structure for approximate nearest neighbor search. This structure augments the neighborhood graph with a bridge graph. We propose to exploit Cartesian concatenation to produce a large set of vectors,…

Computer Vision and Pattern Recognition · Computer Science 2013-12-12 Jingdong Wang , Jing Wang , Gang Zeng , Rui Gan , Shipeng Li , Baining Guo

The ability to compute similarity scores between graphs based on metrics such as Graph Edit Distance (GED) is important in many real-world applications. Computing exact GED values is typically an NP-hard problem and traditional algorithms…

Machine Learning · Computer Science 2022-08-18 Haoyan Xu , Runjian Chen , Yueyang Wang , Ziheng Duan , Jie Feng

We demonstrate that a graph-based search algorithm-relying on the construction of an approximate neighborhood graph-can directly work with challenging non-metric and/or non-symmetric distances without resorting to metric-space mapping…

Information Retrieval · Computer Science 2019-10-09 Leonid Boytsov , Eric Nyberg

Graph Neural Networks (GNNs) have shown expressive performance on graph representation learning by aggregating information from neighbors. Recently, some studies have discussed the importance of modeling neighborhood distribution on the…

Machine Learning · Computer Science 2023-01-31 Wendong Bi , Lun Du , Qiang Fu , Yanlin Wang , Shi Han , Dongmei Zhang

Probabilistic k-nearest neighbour (PKNN) classification has been introduced to improve the performance of original k-nearest neighbour (KNN) classification algorithm by explicitly modelling uncertainty in the classification of each feature…

Machine Learning · Computer Science 2013-05-07 Ji Won Yoon , Nial Friel

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional…

Data Structures and Algorithms · Computer Science 2018-08-16 Yu. A. Malkov , D. A. Yashunin

The problem of finding K-nearest neighbors in the given dataset for a given query point has been worked upon since several years. In very high dimensional spaces the K-nearest neighbor search (KNNS) suffers in terms of complexity in…

Machine Learning · Computer Science 2021-02-15 Pramod Vadiraja , Christoph Peter Balada

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler

Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Machine Learning · Computer Science 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

Computing cohesive subgraphs is a central problem in graph theory. While many formulations of cohesive subgraphs lead to NP-hard problems, finding a densest subgraph can be done in polynomial time. As such, the densest subgraph model has…

Data Structures and Algorithms · Computer Science 2021-11-24 Riccardo Dondi , Danny Hermelin

Approximate k-Nearest Neighbour (ANN) methods are often used for mining information and aiding machine learning on large scale high-dimensional datasets. ANN methods typically differ in the index structure used for accelerating searches,…

Machine Learning · Computer Science 2025-02-04 Ben Harwood , Amir Dezfouli , Iadine Chades , Conrad Sanderson

Recently, there have been some breakthroughs in graph analysis by applying the graph neural networks (GNNs) following a neighborhood aggregation scheme, which demonstrate outstanding performance in many tasks. However, we observe that the…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xiangjian He , Yiguang Lin , Xuemin Lin

K-Nearest Neighbours (k-NN) is a popular classification and regression algorithm, yet one of its main limitations is the difficulty in choosing the number of neighbours. We present a Bayesian algorithm to compute the posterior probability…

Machine Learning · Computer Science 2017-06-05 Giuseppe Nuti