A Deep Learning algorithm to accelerate Algebraic Multigrid methods in Finite Element solvers of 3D elliptic PDEs

Algebraic multigrid (AMG) methods are among the most efficient solvers for linear systems of equations and they are widely used for the solution of problems stemming from the discretization of Partial Differential Equations (PDEs). The most severe limitation of AMG methods is the dependence on parameters that require to be fine-tuned. In particular, the strong threshold parameter is the most relevant since it stands at the basis of the construction of successively coarser grids needed by the AMG methods. We introduce a novel Deep Learning algorithm that minimizes the computational cost of the AMG method when used as a finite element solver. We show that our algorithm requires minimal changes to any existing code. The proposed Artificial Neural Network (ANN) tunes the value of the strong threshold parameter by interpreting the sparse matrix of the linear system as a black-and-white image and exploiting a pooling operator to transform it into a small multi-channel image. We experimentally prove that the pooling successfully reduces the computational cost of processing a large sparse matrix and preserves the features needed for the regression task at hand. We train the proposed algorithm on a large dataset containing problems with a highly heterogeneous diffusion coefficient defined in different three-dimensional geometries and discretized with unstructured grids and linear elasticity problems with a highly heterogeneous Young's modulus. When tested on problems with coefficients or geometries not present in the training dataset, our approach reduces the computational time by up to 30%

Reinforcement Learning for Adaptive Mesh Refinement

Large-scale finite element simulations of complex physical systems governed by partial differential equations crucially depend on adaptive mesh refinement (AMR) to allocate computational budget to regions where higher resolution is required. Existing scalable AMR methods make heuristic refinement decisions based on instantaneous error estimation and thus do not aim for long-term optimality over an entire simulation. We propose a novel formulation of AMR as a Markov decision process and apply deep reinforcement learning (RL) to train refinement policies directly from simulation. AMR poses a new problem for RL in that both the state dimension and available action set changes at every step, which we solve by proposing new policy architectures with differing generality and inductive bias. The model sizes of these policy architectures are independent of the mesh size and hence scale to arbitrarily large and complex simulations. We demonstrate in comprehensive experiments on static function estimation and the advection of different fields that RL policies can be competitive with a widely-used error estimator and generalize to larger, more complex, and unseen test problems.Comment: 14 pages, 13 figure

Graph Neural Networks and Applied Linear Algebra

Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer perceptron (MLP) neural networks are typically not natural for either graph or sparse matrix computations. The issue lies with the fact that MLPs require fixed-sized inputs while scientific applications generally generate sparse matrices with arbitrary dimensions and a wide range of nonzero patterns (or matrix graph vertex interconnections). While convolutional NNs could possibly address matrix graphs where all vertices have the same number of nearest neighbors, a more general approach is needed for arbitrary sparse matrices, e.g. arising from discretized partial differential equations on unstructured meshes. Graph neural networks (GNNs) are one approach suitable to sparse matrices. GNNs define aggregation functions (e.g., summations) that operate on variable size input data to produce data of a fixed output size so that MLPs can be applied. The goal of this paper is to provide an introduction to GNNs for a numerical linear algebra audience. Concrete examples are provided to illustrate how many common linear algebra tasks can be accomplished using GNNs. We focus on iterative methods that employ computational kernels such as matrix-vector products, interpolation, relaxation methods, and strength-of-connection measures. Our GNN examples include cases where parameters are determined a-priori as well as cases where parameters must be learned. The intent with this article is to help computational scientists understand how GNNs can be used to adapt machine learning concepts to computational tasks associated with sparse matrices. It is hoped that this understanding will stimulate data-driven extensions of classical sparse linear algebra tasks