Pieter Ghysels

Siegfried Cools, Pieter Ghysels, Wim van Aarle et al.

Classical iterative methods for tomographic reconstruction include the class of Algebraic Reconstruction Techniques (ART). Convergence of these stationary linear iterative methods is however notably slow. In this paper we propose the use of Krylov solvers for tomographic linear inversion problems. These advanced iterative methods feature fast convergence at the expense of a higher computational cost per iteration, causing them to be generally uncompetitive without the inclusion of a suitable preconditioner. Combining elements from standard multigrid (MG) solvers and the theory of wavelets, a novel wavelet-based multi-level (WMG) preconditioner is introduced, which is shown to significantly speed-up Krylov convergence. The performance of the WMG-preconditioned Krylov method is analyzed through a spectral analysis, and the approach is compared to existing methods like the classical Simultaneous Iterative Reconstruction Technique (SIRT) and unpreconditioned Krylov methods on a 2D tomographic benchmark problem. Numerical experiments are promising, showing the method to be competitive with the classical Algebraic Reconstruction Techniques in terms of convergence speed and overall performance (CPU time) as well as precision of the reconstruction.

Hongwei Jin, Prasanna Balaprakash, Allen Zou et al.

The threat of geomagnetic disturbances (GMDs) to the reliable operation of the bulk energy system has spurred the development of effective strategies for mitigating their impacts. One such approach involves placing transformer neutral blocking devices, which interrupt the path of geomagnetically induced currents (GICs) to limit their impact. The high cost of these devices and the sparsity of transformers that experience high GICs during GMD events, however, calls for a sparse placement strategy that involves high computational cost. To address this challenge, we developed a physics-informed heterogeneous graph neural network (PIHGNN) for solving the graph-based dc-blocker placement problem. Our approach combines a heterogeneous graph neural network (HGNN) with a physics-informed neural network (PINN) to capture the diverse types of nodes and edges in ac/dc networks and incorporates the physical laws of the power grid. We train the PIHGNN model using a surrogate power flow model and validate it using case studies. Results demonstrate that PIHGNN can effectively and efficiently support the deployment of GIC dc-current blockers, ensuring the continued supply of electricity to meet societal demands. Our approach has the potential to contribute to the development of more reliable and resilient power grids capable of withstanding the growing threat that GMDs pose.

Alice Gatti, Zhixiong Hu, Tess Smidt et al.

We present a graph bisection and partitioning algorithm based on graph neural networks. For each node in the graph, the network outputs probabilities for each of the partitions. The graph neural network consists of two modules: an embedding phase and a partitioning phase. The embedding phase is trained first by minimizing a loss function inspired by spectral graph theory. The partitioning module is trained through a loss function that corresponds to the expected value of the normalized cut. Both parts of the neural network rely on SAGE convolutional layers and graph coarsening using heavy edge matching. The multilevel structure of the neural network is inspired by the multigrid algorithm. Our approach generalizes very well to bigger graphs and has partition quality comparable to METIS, Scotch and spectral partitioning, with shorter runtime compared to METIS and spectral partitioning.

Alice Gatti, Zhixiong Hu, Tess Smidt et al.

We present a novel method for graph partitioning, based on reinforcement learning and graph convolutional neural networks. Our approach is to recursively partition coarser representations of a given graph. The neural network is implemented using SAGE graph convolution layers, and trained using an advantage actor critic (A2C) agent. We present two variants, one for finding an edge separator that minimizes the normalized cut or quotient cut, and one that finds a small vertex separator. The vertex separators are then used to construct a nested dissection ordering to permute a sparse matrix so that its triangular factorization will incur less fill-in. The partitioning quality is compared with partitions obtained using METIS and SCOTCH, and the nested dissection ordering is evaluated in the sparse solver SuperLU. Our results show that the proposed method achieves similar partitioning quality as METIS and SCOTCH. Furthermore, the method generalizes across different classes of graphs, and works well on a variety of graphs from the SuiteSparse sparse matrix collection.

Christopher Gorman, Gustavo Chávez, Pieter Ghysels et al.

We present new algorithms for the randomized construction of hierarchically semi-separable matrices, addressing several practical issues. The HSS construction algorithms use a partially matrix-free, adaptive randomized projection scheme to determine the maximum off-diagonal block rank. We develop both relative and absolute stopping criteria to determine the minimum dimension of the random projection matrix that is sufficient for the desired accuracy. Two strategies are discussed to adaptively enlarge the random sample matrix: repeated doubling of the number of random vectors, and iteratively incrementing the number of random vectors by a fixed number. The relative and absolute stopping criteria are based on probabilistic bounds for the Frobenius norm of the random projection of the Hankel blocks of the input matrix. We discuss parallel implementation and computation and communication cost of both variants. Parallel numerical results for a range of applications, including boundary element method matrices and quantum chemistry Toeplitz matrices, show the effectiveness, scalability and numerical robustness of the proposed algorithms.

Elizaveta Rebrova, Gustavo Chavez, Yang Liu et al.

We present memory-efficient and scalable algorithms for kernel methods used in machine learning. Using hierarchical matrix approximations for the kernel matrix the memory requirements, the number of floating point operations, and the execution time are drastically reduced compared to standard dense linear algebra routines. We consider both the general $\mathcal{H}$ matrix hierarchical format as well as Hierarchically Semi-Separable (HSS) matrices. Furthermore, we investigate the impact of several preprocessing and clustering techniques on the hierarchical matrix compression. Effective clustering of the input leads to a ten-fold increase in efficiency of the compression. The algorithms are implemented using the STRUMPACK solver library. These results confirm that --- with correct tuning of the hyperparameters --- classification using kernel ridge regression with the compressed matrix does not lose prediction accuracy compared to the exact --- not compressed --- kernel matrix and that our approach can be extended to $\mathcal{O}(1M)$ datasets, for which computation with the full kernel matrix becomes prohibitively expensive. We present numerical experiments in a distributed memory environment up to 1,024 processors of the NERSC's Cori supercomputer using well-known datasets to the machine learning community that range from dimension 8 up to 784.