Yuanzhe Xi
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View article: Neural Approximate Inverse Preconditioners
Neural Approximate Inverse Preconditioners Open
In this paper, we propose a data-driven framework for constructing efficient approximate inverse preconditioners for elliptic partial differential equations (PDEs) by learning the Green's function of the underlying operator with neural net…
View article: Rethinking Neural-based Matrix Inversion: Why can't, and Where can
Rethinking Neural-based Matrix Inversion: Why can't, and Where can Open
Deep neural networks have achieved substantial success across various scientific computing tasks. A pivotal challenge within this domain is the rapid and parallel approximation of matrix inverses, critical for numerous applications. Despit…
View article: Mixed Precision Orthogonalization-Free Projection Methods for Eigenvalue and Singular Value Problems
Mixed Precision Orthogonalization-Free Projection Methods for Eigenvalue and Singular Value Problems Open
Mixed-precision arithmetic offers significant computational advantages for large-scale matrix computation tasks, yet preserving accuracy and stability in eigenvalue problems and the singular value decomposition (SVD) remains challenging. T…
View article: HiGP: A high-performance Python package for Gaussian Process
HiGP: A high-performance Python package for Gaussian Process Open
Gaussian Processes (GPs) are flexible, nonparametric Bayesian models widely used for regression and classification tasks due to their ability to capture complex data patterns and provide uncertainty quantification (UQ). Traditional GP impl…
View article: Multiscale Neural Networks for Approximating Green's Functions
Multiscale Neural Networks for Approximating Green's Functions Open
Neural networks (NNs) have been widely used to solve partial differential equations (PDEs) in the applications of physics, biology, and engineering. One effective approach for solving PDEs with a fixed differential operator is learning Gre…
View article: Reducing Operator Complexity of Galerkin Coarse-grid Operators with Machine Learning
Reducing Operator Complexity of Galerkin Coarse-grid Operators with Machine Learning Open
Here, we propose a data-driven and machine-learning-based approach to compute non-Galerkin coarse-grid operators in multigrid (MG) methods, addressing the well-known issue of increasing operator complexity. Guided by the MG theory on spect…
View article: Straggler-tolerant stationary methods for linear systems
Straggler-tolerant stationary methods for linear systems Open
In this paper, we consider the iterative solution of linear algebraic equations under the condition that matrix-vector products with the coefficient matrix are computed only partially. At the same time, non-computed entries are set to zero…
View article: Spectral-Refiner: Accurate Fine-Tuning of Spatiotemporal Fourier Neural Operator for Turbulent Flows
Spectral-Refiner: Accurate Fine-Tuning of Spatiotemporal Fourier Neural Operator for Turbulent Flows Open
Recent advancements in operator-type neural networks have shown promising results in approximating the solutions of spatiotemporal Partial Differential Equations (PDEs). However, these neural networks often entail considerable training exp…
View article: Anderson Acceleration with Truncated Gram-Schmidt
Anderson Acceleration with Truncated Gram-Schmidt Open
Anderson Acceleration (AA) is a popular algorithm designed to enhance the convergence of fixed-point iterations. In this paper, we introduce a variant of AA based on a Truncated Gram-Schmidt process (AATGS) which has a few advantages over …
View article: NLTGCR: A class of Nonlinear Acceleration Procedures based on Conjugate Residuals
NLTGCR: A class of Nonlinear Acceleration Procedures based on Conjugate Residuals Open
This paper develops a new class of nonlinear acceleration algorithms based on extending conjugate residual-type procedures from linear to nonlinear equations. The main algorithm has strong similarities with Anderson acceleration as well as…
View article: An Adaptive Factorized Nyström Preconditioner for Regularized Kernel Matrices
An Adaptive Factorized Nyström Preconditioner for Regularized Kernel Matrices Open
The spectrum of a kernel matrix significantly depends on the parameter values of the kernel function used to define the kernel matrix. This makes it challenging to design a preconditioner for a regularized kernel matrix that is robust acro…
View article: MedDiff: Generating Electronic Health Records using Accelerated Denoising Diffusion Model
MedDiff: Generating Electronic Health Records using Accelerated Denoising Diffusion Model Open
Due to patient privacy protection concerns, machine learning research in healthcare has been undeniably slower and limited than in other application domains. High-quality, realistic, synthetic electronic health records (EHRs) can be levera…
View article: MuG: A Multimodal Classification Benchmark on Game Data with Tabular, Textual, and Visual Fields
MuG: A Multimodal Classification Benchmark on Game Data with Tabular, Textual, and Visual Fields Open
Previous research has demonstrated the advantages of integrating data from multiple sources over traditional unimodal data, leading to the emergence of numerous novel multimodal applications. We propose a multimodal classification benchmar…
View article: Data-Driven Linear Complexity Low-Rank Approximation of General Kernel Matrices: A Geometric Approach
Data-Driven Linear Complexity Low-Rank Approximation of General Kernel Matrices: A Geometric Approach Open
A general, {\em rectangular} kernel matrix may be defined as $K_{ij} = κ(x_i,y_j)$ where $κ(x,y)$ is a kernel function and where $X=\{x_i\}_{i=1}^m$ and $Y=\{y_i\}_{i=1}^n$ are two sets of points. In this paper, we seek a low-rank approxim…
View article: An Efficient Nonlinear Acceleration method that Exploits Symmetry of the Hessian
An Efficient Nonlinear Acceleration method that Exploits Symmetry of the Hessian Open
Nonlinear acceleration methods are powerful techniques to speed up fixed-point iterations. However, many acceleration methods require storing a large number of previous iterates and this can become impractical if computational resources ar…
View article: Learning Optimal Multigrid Smoothers via Neural Networks
Learning Optimal Multigrid Smoothers via Neural Networks Open
Multigrid methods are one of the most efficient techniques for solving large sparse linear systems arising from partial differential equations (PDEs) and graph Laplacians from machine learning applications. One of the key components of mul…
View article: parGeMSLR: A parallel multilevel Schur complement low-rank preconditioning and solution package for general sparse matrices
parGeMSLR: A parallel multilevel Schur complement low-rank preconditioning and solution package for general sparse matrices Open
View article: AUTM Flow: Atomic Unrestricted Time Machine for Monotonic Normalizing Flows
AUTM Flow: Atomic Unrestricted Time Machine for Monotonic Normalizing Flows Open
Nonlinear monotone transformations are used extensively in normalizing flows to construct invertible triangular mappings from simple distributions to complex ones. In existing literature, monotonicity is usually enforced by restricting fun…
View article: Data-driven Construction of Hierarchical Matrices with Nested Bases
Data-driven Construction of Hierarchical Matrices with Nested Bases Open
Hierarchical matrices provide a powerful representation for significantly reducing the computational complexity associated with dense kernel matrices. For general kernel functions, interpolation-based methods are widely used for the effici…
View article: parGeMSLR: A Parallel Multilevel Schur Complement Low-Rank Preconditioning and Solution Package for General Sparse Matrices
parGeMSLR: A Parallel Multilevel Schur Complement Low-Rank Preconditioning and Solution Package for General Sparse Matrices Open
This paper discusses parGeMSLR, a C++/MPI software library for the solution of sparse systems of linear algebraic equations via preconditioned Krylov subspace methods in distributed-memory computing environments. The preconditioner impleme…
View article: GDA-AM: On the effectiveness of solving minimax optimization via Anderson Acceleration
GDA-AM: On the effectiveness of solving minimax optimization via Anderson Acceleration Open
Many modern machine learning algorithms such as generative adversarial networks (GANs) and adversarial training can be formulated as minimax optimization. Gradient descent ascent (GDA) is the most commonly used algorithm due to its simplic…
View article: Solve Minimax Optimization by Anderson Acceleration
Solve Minimax Optimization by Anderson Acceleration Open
Many modern machine learning algorithms such as generative adversarial networks (GANs) and adversarial training can be formulated as minimax optimization. Gradient descent ascent (GDA) is the most commonly used algorithm due to its simplic…
View article: Fast randomized non-Hermitian eigensolver based on rational filtering and matrix partitioning
Fast randomized non-Hermitian eigensolver based on rational filtering and matrix partitioning Open
This paper describes a set of rational filtering algorithms to compute a few eigenvalues (and associated eigenvectors) of non-Hermitian matrix pencils. Our interest lies in computing eigenvalues located inside a given disk, and the propose…
View article: Learning optimal multigrid smoothers via neural networks
Learning optimal multigrid smoothers via neural networks Open
Multigrid methods are one of the most efficient techniques for solving linear systems arising from Partial Differential Equations (PDEs) and graph Laplacians from machine learning applications. One of the key components of multigrid is smo…
View article: Fast deterministic approximation of symmetric indefinite kernel matrices with high dimensional datasets
Fast deterministic approximation of symmetric indefinite kernel matrices with high dimensional datasets Open
Kernel methods are used frequently in various applications of machine learning. For large-scale high dimensional applications, the success of kernel methods hinges on the ability to operate certain large dense kernel matrix K. An enormous …
View article: Fast and stable deterministic approximation of general symmetric kernel matrices in high dimensions.
Fast and stable deterministic approximation of general symmetric kernel matrices in high dimensions. Open
Kernel methods are used frequently in various applications of machine learning. For large-scale applications, the success of kernel methods hinges on the ability to operate certain large dense kernel matrix K. To reduce the computational c…
View article: Generating a Doppelganger Graph: Resembling but Distinct
Generating a Doppelganger Graph: Resembling but Distinct Open
Deep generative models, since their inception, have become increasingly more capable of generating novel and perceptually realistic signals (e.g., images and sound waves). With the emergence of deep models for graph structured data, natura…
View article: A power Schur complement Low-Rank correction preconditioner for general sparse linear systems
A power Schur complement Low-Rank correction preconditioner for general sparse linear systems Open
An effective power based parallel preconditioner is proposed for general large sparse linear systems. The preconditioner combines a power series expansion method with some low-rank correction techniques, where the Sherman-Morrison-Woodbury…
View article: A non-perturbative approach to computing seismic normal modes in rotating planets
A non-perturbative approach to computing seismic normal modes in rotating planets Open
A Continuous Galerkin method-based approach is presented to compute the seismic normal modes of rotating planets. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core using a polynomial filteri…
View article: A Rayleigh-Ritz method based approach to computing seismic normal modes in the presence of an essential spectrum
A Rayleigh-Ritz method based approach to computing seismic normal modes in the presence of an essential spectrum Open
A Rayleigh-Ritz with Continuous Galerkin method based approach is presented to compute the normal modes of a planet in the presence of an essential spectrum. The essential spectrum is associated with a liquid outer core. The presence of a …