implicit cholesky inversion

Designs and implements algorithms that use Cholesky factorization to compute the action of a matrix inverse (inverse-vector products) without forming the dense inverse, including implicit Cholesky and inverse-free evaluation methods. Builds and analyzes implementations that preserve sparse-memory bounds (e.g., O(nnz(L)) or better) and support exact or high-precision arithmetic requirements while avoiding explicit inverse formation.

implicitcholeskyinversion

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This study addresses the bottleneck of sparse Cholesky solvers struggling to accommodate mixed sparsity patterns due to fixed data structures by proposing a structure-adaptive tiled Cholesky factorization method. A lightweight selector dynamically routes computations to dense, semi-sparse, or sparse paths, while a novel “active-column tile” data structure enables semi-sparse patterns to achieve BLAS-3 efficiency. Combined with cross-matrix and tile-level adaptive storage alongside GPU acceleration, the approach efficiently supports repeated factorization scenarios in INLA. Experimental results demonstrate that on CPUs, the proposed method outperforms the best fixed strategies by 1.6–2.6× and existing solvers by 1.8–12.5×. Furthermore, the GPU implementation achieves an additional 1.2–6.3× speedup over CPU nodes.

Data structure adaptationSparse Cholesky factorizationSparsity structure

Novel Pivoted Cholesky Decompositions for Efficient Gaussian Process Inference

Jul 28, 2025
FD
Filip de Roos
🏛️ Robert Bosch GmbH

Cholesky decomposition of symmetric positive-definite matrices in Gaussian process inference suffers from numerical instability and computational inefficiency. Method: We propose a novel pivoted Cholesky pivoting strategy that integrates entropy maximization from Bayesian nonparametric inference with information gain principles from active learning, enabling an online-updatable, low-overhead diagonal adaptation mechanism. This strategy is synergistically combined with preconditioned iterative solvers and sparse regression frameworks. Contribution/Results: The proposed method significantly improves both uncertainty quantification accuracy and computational speed in sparse Gaussian process inference. Empirical evaluation across diverse benchmark tasks demonstrates consistent superiority over standard pivoted Cholesky baselines, with negligible additional computational overhead. The approach is theoretically grounded in probabilistic inference principles and exhibits strong practical applicability in large-scale GP modeling.

Enhancing Gaussian process inference for sparse regression tasksImproving Cholesky decomposition efficiency via novel pivoting strategiesOptimizing preconditioned iterative solvers with advanced pivot selection

Sparse inverse Cholesky factorization of dense kernel matrices by greedy conditional selection

Jul 21, 2023
SH
Stephen Huan
🏛️ Carnegie Mellon University | Washington University in St. Louis | University of Wisconsin–Madison | Caltech | Georgia Institute of Technology

This paper addresses the challenge of balancing computational efficiency and approximation accuracy in sparse approximate inverse Cholesky decomposition of high-dimensional kernel matrices. We propose a dynamic sparsity pattern construction method based on greedy conditional mutual information maximization—marking the first integration of mutual information maximization into sparse structure learning, enabling data-adaptive pivot selection. Unlike conventional geometric neighborhood constraints, our approach jointly leverages partial Cholesky updates and KL-divergence minimization to support efficient multi-objective aggregation during decomposition. Theoretical analysis shows the time complexity reduces to *O(Nk²)*, substantially improving upon the *O(N³)* cost of standard Cholesky decomposition. Experiments on Gaussian process regression and image classification demonstrate superior preprocessing accuracy and faster conjugate gradient convergence compared to k-nearest-neighbor and other baseline methods. Our framework establishes a scalable, high-fidelity sparse approximation paradigm for large-scale kernel learning.

Efficient time complexity for multiple target pointsGreedy selection algorithm maximizing mutual informationSparse inverse Cholesky factorization for dense kernel matrices

Towards automated generation of fast and accurate algorithms for recursive matrix multiplication

Jun 24, 2025
JD
Jean-Guillaume Dumas
🏛️ Univ. Grenoble Alpes | Université de Lille

Recursive matrix multiplication faces a fundamental trade-off between numerical accuracy and computational efficiency. Method: We propose a unified framework for automatically constructing high-accuracy, low-complexity recursive bilinear algorithms. First, we unify and extend norm-based error bounds—covering Frobenius, spectral, and induced norms—to arbitrary recursive bilinear schemes. Second, we introduce a three-stage optimization pipeline: (i) heuristic search minimizing operand count in bilinear formulations; (ii) growth-factor minimization over tensor decomposition orbits; and (iii) sparsification via alternative bases. Contribution/Results: Our framework yields a novel non-commutative 2×2 matrix multiplication algorithm requiring only seven scalar multiplications—matching Strassen’s asymptotic complexity O(n^log₂7) while substantially improving numerical stability. The approach generalizes to established recursive algorithms including those of Smirnov et al., demonstrating broad applicability and enabling scalable, automated generation of high-accuracy fast matrix multiplication schemes.

Generate fast non-commutative recursive matrix multiplication algorithmsOptimize matrix and tensor norms for stability and accuracyReduce operations and improve accuracy in bilinear formulas

This study addresses the issues of excessive fill-in in approximate Cholesky factorization and the lack of theoretical guarantees and graph connectivity in existing sampling rules. To overcome these limitations, this work proposes a volume-sampling-based elimination strategy that optimizes the elimination ordering by uniformly and randomly generating maximum spanning trees of product cliques. This approach effectively integrates the theoretical correctness of Kyng’s framework with the practical connectivity of Gao’s method, strictly preserving marginal edge distributions while ensuring graph connectivity. By combining linear time complexity with O(log n)-depth parallel computing techniques, the proposed algorithm yields a concise, provably correct, and efficiently parallelizable scheme for approximate Cholesky factorization.

Approximate Cholesky FactorizationFill-in ReductionSampling Rule

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本文通过理论分析解决了随机旋转Cholesky算法在大正半定矩阵低秩逼近中的误差估计问题,证明了该方法能在接近最优的复杂度内达到良好的逼近效果。

expected errorlow-rank approximationpositive-semidefinite matrix

This work proposes a fast recursive framework for efficiently computing the truncated Neumann series $S_k(A) = I + A + \cdots + A^{k-1}$ by leveraging high-radix kernel functions $T_m(B) = I + B + \cdots + B^{m-1}$, substantially reducing the number of required matrix multiplications. The key contributions include the first exact radix-9 rational-coefficient three-product kernel and a residual-based recursive structure that enables stable application of approximate kernels. Furthermore, a radix-15 kernel is designed, achieving the best-known asymptotic complexity to date. Theoretical analysis shows that the radix-9 and radix-15 kernels reduce the multiplication count to $1.58\log_2 k$ and $1.54\log_2 k$, respectively, yielding approximately 21% speedup over conventional repeated squaring. Experimental results corroborate the predicted acceleration.

approximate matrix inversionhigh-radix kernelsmatrix polynomial evaluation

This work addresses the underutilization of CPU resources in modern heterogeneous high-performance computing (HPC) systems when solving large-scale symmetric positive-definite linear systems using GPU-only approaches. Leveraging the SYCL programming model, the authors present the first heterogeneous implementations of the conjugate gradient (CG) method and Cholesky decomposition that operate across multi-vendor CPU-GPU platforms, including NVIDIA, AMD, and Intel architectures. Experimental results demonstrate that the heterogeneous CG solver achieves up to 32% speedup over GPU-only execution on large matrices, while the heterogeneous Cholesky decomposition attains a 29% acceleration. Furthermore, across diverse hardware vendors, the Cholesky solver consistently delivers at least a 12% performance improvement, significantly enhancing both computational efficiency and portability.

CPU-GPU collaborationGPU accelerationheterogeneous computing

Hot Scholars

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Houman Owhadi

IBM Professor of Applied and Computational Mathematics and Control and Dynamical Systems. Caltech.
SciML. Kernel/GP Methods. UQ. Stochastic/Mulstiscale/Geometric Integration/Analysis..
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Mathieu Luisier

ETH Zurich
Computational nanoelectronicsdevice modeling
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Matthias Katzfuss

Professor of Statistics, University of Wisconsin–Madison
Spatio-Temporal StatisticsGaussian ProcessesUQProbabilistic Machine Learning