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The perspective of developing trustworthy AI for critical applications in science and engineering requires machine learning techniques that are capable of estimating their own uncertainty. In the context of regression, instead of estimating…

Machine Learning · Computer Science 2026-05-14 Quentin Duchemin , Guillaume Obozinski

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the…

Machine Learning · Computer Science 2021-06-02 Hao Yuan , Haiyang Yu , Jie Wang , Kang Li , Shuiwang Ji

The structure of an evolving network contains information about its past. Extracting this information efficiently, however, is, in general, a difficult challenge. We formulate a fast and efficient method to estimate the most likely history…

Physics and Society · Physics 2020-09-16 Gábor Timár , Rui A. da Costa , Sergey N. Dorogovtsev , José F. F. Mendes

Net-trees are a general purpose data structure for metric data that have been used to solve a wide range of algorithmic problems. We give a simple randomized algorithm to construct net-trees on doubling metrics using $O(n\log n)$ time in…

Computational Geometry · Computer Science 2018-09-06 Mahmoodreza Jahanseir , Donald R. Sheehy

Link prediction aims to reveal missing edges in a graph. We address this task with a Gaussian process that is transformed using simplified graph convolutions to better leverage the inductive bias of the domain. To scale the Gaussian process…

Machine Learning · Computer Science 2020-02-12 Felix L. Opolka , Pietro Liò

Link prediction is one of the fundamental problems in network analysis. In many applications, notably in genetics, a partially observed network may not contain any negative examples of absent edges, which creates a difficulty for many…

Machine Learning · Statistics 2013-01-30 Yunpeng Zhao , Elizaveta Levina , Ji Zhu

In this paper, we present an exact algorithm for the Steiner tree problem. The algorithm is based on certain pre-computed index structures. Our algorithm offers a practical solution for the Steiner tree problems on graphs of large size and…

Data Structures and Algorithms · Computer Science 2013-05-27 Fang Wei-Kleiner

Despite the success of graph neural network models in node classification, edge prediction (the task of predicting missing or potential links between nodes in a graph) remains a challenging problem for these models. A common approach for…

Machine Learning · Computer Science 2023-11-23 Zahed Rahmati

Decision trees are widely used for non-linear modeling, as they capture interactions between predictors while producing inherently interpretable models. Despite their popularity, performing inference on the non-linear fit remains largely…

Methodology · Statistics 2026-04-14 Soham Bakshi , Snigdha Panigrahi

Regression trees have emerged as a preeminent tool for solving real-world regression problems due to their ability to deal with nonlinearities, interaction effects and sharp discontinuities. In this article, we rather study regression trees…

Machine Learning · Statistics 2025-11-14 Nathan Wycoff

Many applications produce massive complex networks whose analysis would benefit from parallel processing. Parallel algorithms, in turn, often require a suitable network partition. For solving optimization tasks such as graph partitioning on…

Data Structures and Algorithms · Computer Science 2014-02-14 Roland Glantz , Henning Meyerhenke , Christian Schulz

In this work, we introduce TreeWidzard, an engine for developing dynamic programming algorithms that decide graph-theoretic properties parameterized by treewidth and pathwidth. Besides providing a unified framework for algorithms deciding…

Data Structures and Algorithms · Computer Science 2026-05-12 Mateus de Oliveira Oliveria , Sam Urmian

We consider a Gibbs distribution over all spanning trees of an undirected, edge weighted finite graph, where, up to normalization, the probability of each tree is given by the product of its edge weights. Defining the weighted degree of a…

Discrete Mathematics · Computer Science 2024-10-18 Enrique Fita Sanmartín , Christoph Schnörr , Fred A. Hamprecht

Based on decision trees, many fields have arguably made tremendous progress in recent years. In simple words, decision trees use the strategy of "divide-and-conquer" to divide the complex problem on the dependency between input features and…

Machine Learning · Computer Science 2021-01-22 Jinxiong Zhang

In this paper, we present a Branch and Bound algorithm called QuickBB for computing the treewidth of an undirected graph. This algorithm performs a search in the space of perfect elimination ordering of vertices of the graph. The algorithm…

Data Structures and Algorithms · Computer Science 2012-07-19 Vibhav Gogate , Rina Dechter

In deep neural networks, better results can often be obtained by increasing the complexity of previously developed basic models. However, it is unclear whether there is a way to boost performance by decreasing the complexity of such models.…

Machine Learning · Computer Science 2022-06-07 Junran Wu , Shangzhe Li , Jianhao Li , Yicheng Pan , Ke Xu

Theoretical attempts proposed so far to describe ordinary percolation processes on real-world networks rely on the locally tree-like ansatz. Such an approximation, however, holds only to a limited extent, as real graphs are often…

Physics and Society · Physics 2016-03-30 Filippo Radicchi , Claudio Castellano

In most of the shortest path problems like vehicle routing problems and network routing problems, we only need an efficient path between two points source and destination, and it is not necessary to calculate the shortest path from source…

Data Structures and Algorithms · Computer Science 2009-11-03 Muhammad Aasim Qureshi , Dr. Fadzil B. Hassan , Sohail Safdar , Rehan Akbar

We propose a method for the classification of objects that are structured as random trees. Our aim is to model a distribution over the node label assignments in settings where the tree data structure is associated with node attributes…

Machine Learning · Computer Science 2024-09-18 Wouter W. L. Nuijten , Vlado Menkovski

Besides serving as prediction models, classification trees are useful for finding important predictor variables and identifying interesting subgroups in the data. These functions can be compromised by weak split selection algorithms that…

Applications · Statistics 2010-11-03 Wei-Yin Loh