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Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Conformal Prediction is a robust framework that ensures reliable coverage across machine learning tasks. Although recent studies have applied conformal prediction to graph neural networks, they have largely emphasized post-hoc prediction…

Machine Learning · Computer Science 2024-10-30 Yuntian He , Pranav Maneriker , Anutam Srinivasan , Aditya T. Vadlamani , Srinivasan Parthasarathy

Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be problematic when there are insufficient…

Machine Learning · Computer Science 2024-08-20 Andrei Margeloiu , Nikola Simidjievski , Pietro Lio , Mateja Jamnik

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

We present an efficient, robust and fully GPU-accelerated aggregation-based algebraic multigrid preconditioning technique for the solution of large sparse linear systems. These linear systems arise from the discretization of elliptic PDEs.…

Numerical Analysis · Mathematics 2014-03-10 Rajesh Gandham , Ken Esler , Yongpeng Zhang

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

Efficient numerical solvers for sparse linear systems are crucial in science and engineering. One of the fastest methods for solving large-scale sparse linear systems is algebraic multigrid (AMG). The main challenge in the construction of…

Machine Learning · Computer Science 2020-09-25 Ilay Luz , Meirav Galun , Haggai Maron , Ronen Basri , Irad Yavneh

Multistep matrix splitting iterations serve as preconditioning for Krylov subspace methods for solving singular linear systems. The preconditioner is applied to the generalized minimal residual (GMRES) method and the flexible GMRES (FGMRES)…

Numerical Analysis · Mathematics 2021-11-09 Keiichi Morikuni

Developing suitable approximate models for analyzing and simulating complex nonlinear systems is practically important. This paper aims at exploring the skill of a rich class of nonlinear stochastic models, known as the conditional Gaussian…

Numerical Analysis · Mathematics 2022-06-01 Nan Chen , Yingda Li , Honghu Liu

Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…

Machine Learning · Computer Science 2025-03-18 Yaochen Hu , Mai Zeng , Ge Zhang , Pavel Rumiantsev , Liheng Ma , Yingxue Zhang , Mark Coates

We introduce a parallel algorithm to construct a preconditioner for solving a large, sparse linear system where the coefficient matrix is a Laplacian matrix (a.k.a., graph Laplacian). Such a linear system arises from applications such as…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-30 Tianyu Liang , Chao Chen , Yotam Yaniv , Hengrui Luo , David Tench , Xiaoye S. Li , Aydin Buluc , James Demmel

Humans excel at solving novel reasoning problems from minimal exposure, guided by inductive biases, assumptions about which entities and relationships matter. Yet the computational form of these biases and their neural implementation remain…

Neurons and Cognition · Quantitative Biology 2025-12-22 Quan Do , Caroline Ahn , Leah Bakst , Michael Pascale , Joseph T. McGuire , Chantal E. Stern , Michael E. Hasselmo

We propose fast O(N) preconditioning, where N is the number of gridpoints on the prediction horizon, for iterative solution of (non)-linear systems appearing in model predictive control methods such as forward-difference Newton-Krylov…

Optimization and Control · Mathematics 2016-10-20 Andrew Knyazev , Alexander Malyshev

Isogeometric analysis (IgA) offers enhanced approximation capabilities for the discretization of elliptic boundary-value problems, yet it results in large, sparse, and increasingly ill-conditioned linear systems due to higher…

Numerical Analysis · Mathematics 2026-05-01 Pasqua D'Ambra , Fabio Durastante , Salvatore Filippone

Preconditioned Krylov subspace (KSP) methods are widely used for solving large-scale sparse linear systems arising from numerical solutions of partial differential equations (PDEs). These linear systems are often nonsymmetric due to the…

Numerical Analysis · Mathematics 2018-09-05 Aditi Ghai , Cao Lu , Xiangmin Jiao

Polynomial preconditioning is an important tool in solving large linear systems and eigenvalue problems. A polynomial from GMRES can be used to precondition restarted GMRES and restarted Arnoldi. Here we give methods for indefinite matrices…

Numerical Analysis · Mathematics 2025-10-17 Hayden Henson , Ronald B. Morgan

A litany of theoretical and numerical results have established the sketch-and-precondition paradigm as a powerful approach to solving large linear regression problems in standard computing environments. Perhaps surprisingly, much less work…

Data Structures and Algorithms · Computer Science 2025-06-09 Tyler Chen , Pradeep Niroula , Archan Ray , Pragna Subrahmanya , Marco Pistoia , Niraj Kumar

We present a novel preconditioning technique for proximal optimization methods that relies on graph algorithms to construct effective preconditioners. Such combinatorial preconditioners arise from partitioning the graph into forests. We…

Optimization and Control · Mathematics 2018-02-22 Thomas Möllenhoff , Zhenzhang Ye , Tao Wu , Daniel Cremers