arXiv Machine Learning

Matrix-free Neural Preconditioner for the Dirac Operator in Lattice Gauge Theory

arXiv:2509. 10378v2 Announce Type: replace-cross Abstract: Linear systems arise in generating samples and in calculating observables in lattice quantum chromodynamics~(QCD).

arXiv Machine Learning
Jul 9

Gauge-Invariant Learnable Spectral Positional Encodings for Directed Graphs via Hermitian Block Krylov Subspaces

arXiv:2607. 07032v1 Announce Type: new Abstract: Spectral positional encodings (PEs) for \emph{directed} graphs face two obstacles: magnetic Laplacians require an $O(n^3)$ Hermitian eigendecomposition per potential, and their complex eigenvectors are defined only up to unitary gauge, which prior work handles with basis-invariant architectures.

By Jiaqing Xie, Yuxin Wang
arXiv Machine Learning
Aug 11

Hybrid Quantum-Classical PINNs for Scientific Computing: A Multi-GPU Open-Source Framework

arXiv:2604. 15645v2 Announce Type: replace Abstract: We present QPINNACLE, an open-source computational framework for physics-informed neural networks (PINNs) that integrates modern training strategies, multi-GPU acceleration, and hybrid quantum-classical architectures within a unified modular workflow.

By Ziv Chen, Hemanth Chandravamsi, Shimon Pisnoy, Aaron Goldgewert, Gal Shaviner, Boris Shragner, Steven H. Frankel
arXiv AI
Jul 7

Learning to Discover Iterative Spectral Algorithms

arXiv:2602. 09530v2 Announce Type: replace-cross Abstract: We introduce AutoSpec, a neural network framework for discovering iterative spectral algorithms for large-scale numerical linear algebra and numerical optimization.

By Zihang Liu, Oleg Balabanov, Yaoqing Yang, Michael W. Mahoney
arXiv Machine Learning
Jul 21

One-shot acceleration of transient PDE solvers via online-learned preconditioners

arXiv:2509. 08765v4 Announce Type: replace-cross Abstract: Data-driven acceleration of scientific computing workflows has been a high-profile aim of machine learning (ML) for science, with numerical simulation of transient partial differential equations (PDEs) being one of the main applications.

By Mikhail Khodak, Min Ki Jung, Brian Wynne, Edmond Chow, Egemen Kolemen
arXiv AI
Jun 30

McMg: A Learned Phase-Space Multi-channel Multigrid Preconditioner for Helmholtz Equation

arXiv:2606. 30495v1 Announce Type: cross Abstract: Solving heterogeneous Helmholtz equations at high wavenumbers remains challenging because the discretized operator is indefinite, pollution degrades phase accuracy, and scalar coarse-grid correction can discard the local phase and propagation-direction information carried by oscillatory errors.

By Jiwei Jia, Xinliang Liu, Juntao Wang, Jinchao Xu
arXiv Machine Learning
Jul 14

Eigenbasis-Independent Learnable Spectral Positional Encodings for Directed Graphs via Hermitian Block Krylov Subspaces

arXiv:2607. 07032v2 Announce Type: replace Abstract: Spectral positional encodings (PEs) for \emph{directed} graphs face two obstacles: magnetic Laplacians require an $O(n^3)$ Hermitian eigendecomposition per potential, and their complex eigenvectors are defined only up to unitary gauge, which prior work handles with basis-invariant architectures.

By Jiaqing Xie, Yuxin Wang
arXiv Machine Learning
Jul 3

Fourier Preconditioning for Neural Feature Learning

arXiv:2607. 02199v1 Announce Type: cross Abstract: Mutual information (MI)-inspired feature learning techniques are capable of generating low-dimensional embeddings that retain nonlinear dependence structures, but direct estimations of MI suffer from noisy probability distribution estimates in the low-data regime.

By Preston Pitzer, Anish Pradhan, Harpreet S. Dhillon