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Variational mean field approximations tend to struggle with contemporary overparametrized deep neural networks. Where a Bayesian treatment is usually associated with high-quality predictions and uncertainties, the practical reality has been…

Exogenous variables offer valuable supplementary information for predicting future endogenous variables. Forecasting with exogenous variables needs to consider both past-to-future dependencies (i.e., temporal correlations) and the influence…

Machine Learning · Computer Science 2026-05-04 Zhengyu Li , Xiangfei Qiu , Yuhan Zhu , Xingjian Wu , Jilin Hu , Chenjuan Guo , Bin Yang

Combinatorial optimization problems are typically tackled by the branch-and-bound paradigm. We propose a new graph convolutional neural network model for learning branch-and-bound variable selection policies, which leverages the natural…

Machine Learning · Computer Science 2019-10-31 Maxime Gasse , Didier Chételat , Nicola Ferroni , Laurent Charlin , Andrea Lodi

We formulate an XAI-based model improvement approach for Graph Neural Networks (GNNs) for node classification, called Explanation Enhanced Graph Learning (EEGL). The goal is to improve predictive performance of GNN using explanations. EEGL…

Machine Learning · Computer Science 2024-03-13 Harish G. Naik , Jan Polster , Raj Shekhar , Tamás Horváth , György Turán

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

A mathematical analysis is presented for a class of interior penalty (IP) discontinuous Galerkin approximations of elliptic boundary value problems. In the framework of the present theory one can derive some overpenalized IP bilinear forms…

Numerical Analysis · Mathematics 2014-09-11 Ferenc Izsák

A weighted directed network (WDN) is a directed graph in which each edge is associated to a unique value called weight. These networks are very suitable for modeling real-world social networks in which there is an assessment of one vertex…

Social and Information Networks · Computer Science 2020-10-01 Dong Quan Ngoc Nguyen , Lin Xing , Lizhen Lin

In this article, an abstract framework for the error analysis of discontinuous Galerkin methods for control constrained optimal control problems is developed. The analysis establishes the best approximation result from a priori analysis…

Numerical Analysis · Mathematics 2014-11-05 Sudipto Chowdhury , Thirupathi Gudi , A. K. Nandakumaran

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

We propose a robust, adaptive coarse-grid correction scheme for matrix-free geometric multigrid targeting PDEs with strongly varying coefficients. The method combines uniform geometric coarsening of the underlying grid with heterogeneous…

Performance · Computer Science 2025-11-18 Fabian Böhm , Nils Kohl , Harald Köstler , Ulrich Rüde

Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must…

Machine Learning · Computer Science 2025-10-16 Jiacheng Cen , Anyi Li , Ning Lin , Tingyang Xu , Yu Rong , Deli Zhao , Zihe Wang , Wenbing Huang

Many available formal verification methods have been shown to be instances of a unified Branch-and-Bound (BaB) formulation. We propose a novel machine learning framework that can be used for designing an effective branching strategy as well…

Machine Learning · Computer Science 2021-07-28 Florian Jaeckle , Jingyue Lu , M. Pawan Kumar

Recently, motivated by real applications, a major research direction in graph neural networks (GNNs) is to explore deeper structures. For instance, the graph connectivity is not always consistent with the label distribution (e.g., the…

Machine Learning · Computer Science 2022-10-26 Lecheng Zheng , Dongqi Fu , Ross Maciejewski , Jingrui He

We construct a Neural Network that approximates the matrix multiplication operator for any activation function such that there exists a Neural Network which can approximate the scalar multiplication function. In particular, we use the…

Numerical Analysis · Mathematics 2026-02-06 Gonzalo Romera , Jon Asier Bárcena-Petisco

Recently, deep learning techniques are gradually replacing traditional statistical and machine learning models as the first choice for price forecasting tasks. In this paper, we leverage probabilistic deep learning for inferring the…

Machine Learning · Computer Science 2024-06-25 Héctor J. Hortúa , Andrés Mora-Valencia

Learned graph neural networks (GNNs) have recently been established as fast and accurate alternatives for principled solvers in simulating the dynamics of physical systems. In many application domains across science and engineering,…

Machine Learning · Computer Science 2022-06-03 Qingqing Zhao , David B. Lindell , Gordon Wetzstein

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

Machine Learning · Computer Science 2021-11-18 Sucheta Dawn , Sanghamitra Bandyopadhyay

This paper investigates a model reduction problem for linear directed network systems, in which the interconnections among the vertices are described by general weakly connected digraphs. First, the definitions of pseudo controllability and…

Optimization and Control · Mathematics 2019-11-12 Xiaodong Cheng , Jacquelien M. A. Scherpen

Approximate computing offers promising energy efficiency benefits for error-tolerant applications, but discovering optimal approximations requires extensive design space exploration (DSE). Predicting the accuracy of circuits composed of…

Hardware Architecture · Computer Science 2026-03-20 Ondrej Vlcek , Vojtech Mrazek

The subject of this work is an adaptive stochastic Galerkin finite element method for parametric or random elliptic partial differential equations, which generates sparse product polynomial expansions with respect to the parametric…

Numerical Analysis · Mathematics 2025-03-28 Markus Bachmayr , Martin Eigel , Henrik Eisenmann , Igor Voulis
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