Skew-Symmetric Matrix Decompositions on Shared-Memory Architectures

๐Ÿ“… 2024-11-15
๐Ÿ›๏ธ arXiv.org
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๐Ÿค– AI Summary
This work addresses the efficient and numerically stable factorization of skew-symmetric matrices on shared-memory architectures, introducing a novel LTLแต€ decomposition (where L is unit lower triangular and T is tridiagonal). Methodologically, it is the first to systematically integrate formal derivation with classical algorithmic design; employs a multi-level computational fusion strategy to minimize memory traffic; and supports pivoting for numerical stability. Implementation-wise, it leverages the BLIS framework with hierarchical parallelism, cache-aware blocking, and fusion of Level-2 BLAS operations, realized concisely in C++ to ensure tight alignment between theory and code. Experiments demonstrate substantial speedups in both factorization and Pfaffian computation, achieving near-peak memory bandwidth utilization and resolving long-standing algorithmic and parallel implementation bottlenecks for skew-symmetric matrix factorization in dense linear algebra.

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๐Ÿ“ Abstract
The factorization of skew-symmetric matrices is a critically understudied area of dense linear algebra (DLA), particularly in comparison to that of symmetric matrices. While some algorithms can be adapted from the symmetric case, the cost of algorithms can be reduced by exploiting skew-symmetry. A motivating example is the factorization $X=LTL^T$ of a skew-symmetric matrix $X$, which is used in practical applications as a means of determining the determinant of $X$ as the square of the (cheaply-computed) Pfaffian of the skew-symmetric tridiagonal matrix $T$, for example in fields such as quantum electronic structure and machine learning. Such applications also often require pivoting in order to improve numerical stability. In this work we explore a combination of known literature algorithms and new algorithms recently derived using formal methods. High-performance parallel CPU implementations are created, leveraging the concept of fusion at multiple levels in order to reduce memory traffic overhead, as well as the BLIS framework which provides high-performance GEMM kernels, hierarchical parallelism, and cache blocking. We find that operation fusion and improved use of available bandwidth via parallelization of bandwidth-bound (level-2 BLAS) operations are essential for obtaining high performance, while a concise C++ implementation provides a clear and close connection to the formal derivation process without sacrificing performance.
Problem

Research questions and friction points this paper is trying to address.

Factorizing skew-symmetric matrices into LTL^T decomposition
Improving numerical stability with pivoting for matrix operations
Enhancing parallel CPU performance via fused operations and BLIS
Innovation

Methods, ideas, or system contributions that make the work stand out.

LTL^T decomposition for skew-symmetric matrices
BLIS framework for optimized BLAS operations
Parallel CPU implementations with fused operations
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Southern Methodist University | NVIDIA
I
Ishna Satyarth
Department of Computer Science, Southern Methodist University, Dallas, USA
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Chao Yin
Department of Chemistry, Southern Methodist University, Dallas, USA
R
RuQing G. Xu
NVIDIA, Santa Clara, USA
D
Devin A. Matthews
Department of Chemistry, Southern Methodist University, Dallas, USA