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Graph similarity computation is one of the core operations in many graph-based applications, such as graph similarity search, graph database analysis, graph clustering, etc. Since computing the exact distance/similarity between two graphs…

Machine Learning · Computer Science 2021-05-18 Yunsheng Bai , Hao Ding , Yizhou Sun , Wei Wang

We study the computational complexity of (deterministic or randomized) algorithms based on point samples for approximating or integrating functions that can be well approximated by neural networks. Such algorithms (most prominently…

Machine Learning · Computer Science 2021-04-08 Philipp Grohs , Felix Voigtlaender

The explosive growth in big data has attracted much attention in designing efficient indexing and search methods recently. In many critical applications such as large-scale search and pattern matching, finding the nearest neighbors to a…

Machine Learning · Computer Science 2015-09-21 Jun Wang , Wei Liu , Sanjiv Kumar , Shih-Fu Chang

We consider the problem of learning the nearest neighbor graph of a dataset of n items. The metric is unknown, but we can query an oracle to obtain a noisy estimate of the distance between any pair of items. This framework applies to…

Machine Learning · Statistics 2019-06-03 Blake Mason , Ardhendu Tripathy , Robert Nowak

Mappings to structured output spaces (strings, trees, partitions, etc.) are typically learned using extensions of classification algorithms to simple graphical structures (eg., linear chains) in which search and parameter estimation can be…

Machine Learning · Computer Science 2009-07-07 Hal Daumé , Daniel Marcu

Suppose a target is hidden in one of the vertices of an edge-weighted graph according to a known probability distribution. The expanding search problem asks for a search sequence of the vertices so as to minimize the expected time for…

Discrete Mathematics · Computer Science 2019-11-21 Ben Hermans , Roel Leus , Jannik Matuschke

The design of good heuristics or approximation algorithms for NP-hard combinatorial optimization problems often requires significant specialized knowledge and trial-and-error. Can we automate this challenging, tedious process, and learn the…

Machine Learning · Computer Science 2018-02-23 Hanjun Dai , Elias B. Khalil , Yuyu Zhang , Bistra Dilkina , Le Song

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Given a graph $G$, the NP-hard Maximum Planar Subgraph problem (MPS) asks for a planar subgraph of $G$ with the maximum number of edges. There are several heuristic, approximative, and exact algorithms to tackle the problem, but---to the…

Data Structures and Algorithms · Computer Science 2016-08-29 Markus Chimani , Karsten Klein , Tilo Wiedera

Similarity search is a fundamental task for exploiting information in various applications dealing with graph data, such as citation networks or knowledge graphs. While this task has been intensively approached from heuristics to graph…

Machine Learning · Computer Science 2026-05-12 Daniel Daza , Cuong Xuan Chu , Trung-Kien Tran , Daria Stepanova , Michael Cochez , Paul Groth

Deep learning based molecular graph generation and optimization has recently been attracting attention due to its great potential for de novo drug design. On the one hand, recent models are able to efficiently learn a given graph…

Chemical Physics · Physics 2021-06-28 Rémy Brossard , Oriel Frigo , David Dehaene

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual…

Machine Learning · Computer Science 2021-06-25 Shaofei Cai , Liang Li , Jincan Deng , Beichen Zhang , Zheng-Jun Zha , Li Su , Qingming Huang

Space partitions of $\mathbb{R}^d$ underlie a vast and important class of fast nearest neighbor search (NNS) algorithms. Inspired by recent theoretical work on NNS for general metric spaces [Andoni, Naor, Nikolov, Razenshteyn, Waingarten…

Machine Learning · Computer Science 2020-09-30 Yihe Dong , Piotr Indyk , Ilya Razenshteyn , Tal Wagner

In network analysis and graph mining, closeness centrality is a popular measure to infer the importance of a vertex. Computing closeness efficiently for individual vertices received considerable attention. The NP-hard problem of group…

Data Structures and Algorithms · Computer Science 2019-11-11 Eugenio Angriman , Alexander van der Grinten , Henning Meyerhenke

Neural Architecture Search (NAS) has emerged as a key tool in identifying optimal configurations of deep neural networks tailored to specific tasks. However, training and assessing numerous architectures introduces considerable…

Machine Learning · Computer Science 2024-04-25 Haoming Zhang , Ran Cheng

Nearest neighbor (kNN) methods have been gaining popularity in recent years in light of advances in hardware and efficiency of algorithms. There is a plethora of methods to choose from today, each with their own advantages and…

Machine Learning · Computer Science 2017-03-01 Daniel Zoran , Balaji Lakshminarayanan , Charles Blundell

The hyperlink prediction task, that of proposing new links between webpages, can be used to improve search engines, expand the visibility of web pages, and increase the connectivity and navigability of the web. Hyperlink prediction is…

Data Structures and Algorithms · Computer Science 2016-11-29 Dario Garcia-Gasulla , Eduard Ayguadé , Jesús Labarta , Ulises Cortés , Toyotaro Suzumura

We design improved approximation algorithms for NP-hard graph problems by incorporating predictions (e.g., learned from past data). Our prediction model builds upon and extends the $\varepsilon$-prediction framework by Cohen-Addad, d'Orsi,…

Machine Learning · Computer Science 2025-06-02 Anders Aamand , Justin Y. Chen , Siddharth Gollapudi , Sandeep Silwal , Hao Wu

We study the problem of approximate near neighbor (ANN) search and show the following results: - An improved framework for solving the ANN problem using locality-sensitive hashing, reducing the number of evaluations of locality-sensitive…

Data Structures and Algorithms · Computer Science 2019-06-25 Tobias Christiani

Topology impacts important network performance metrics, including link utilization, throughput and latency, and is of central importance to network operators. However, due to the combinatorial nature of network topology, it is extremely…

Networking and Internet Architecture · Computer Science 2026-03-04 Zhuoran Li , Xing Wang , Ling Pan , Lin Zhu , Zhendong Wang , Junlan Feng , Chao Deng , Longbo Huang