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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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.…
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…
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…
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…
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…