Related papers: I/O-Optimal Algorithms for Symmetric Linear Algebr…
A key technique for controlling numerical stability in sparse direct solvers is threshold partial pivoting. When selecting a pivot, the entire candidate pivot column below the diagonal must be up-to-date and must be scanned. If the…
We present a unified treatment of the Fourier spectra of spherically symmetric nonlocal diffusion operators. We develop numerical and analytical results for the class of kernels with weak algebraic singularity as the distance between source…
Finding the $r\times r$ submatrix of maximum volume of a matrix $A\in\mathbb R^{n\times n}$ is an NP hard problem that arises in a variety of applications. We propose a new greedy algorithm of cost $\mathcal O(n)$, for the case $A$…
We have formulated the problem of generating periodic dense paritcle packings as an optimization problem called the Adaptive Shrinking Cell (ASC) formulation [S. Torquato and Y. Jiao, Phys. Rev. E {\bf 80}, 041104 (2009)]. Because the…
Symmetric tensor operations arise in a wide variety of computations. However, the benefits of exploiting symmetry in order to reduce storage and computation is in conflict with a desire to simplify memory access patterns. In this paper, we…
We consider the least-squares approximation of a matrix C in the set of doubly stochastic matrices with the same sparsity pattern as C. Our approach is based on applying the well-known Alternating Direction Method of Multipliers (ADMM) to a…
In this contribution, we present the implementation of a second-order CASSCF algorithm in conjunction with the Cholesky decomposition of the two-electron repulsion integrals. The algorithm, called Norm-Extended Optimization, guarantees…
As hardware architectures are evolving in the push towards exascale, developing Computational Science and Engineering (CSE) applications depend on performance portable approaches for sustainable software development. This paper describes…
In this paper, we first propose a new iterative algorithm, called the K-sets+ algorithm for clustering data points in a semi-metric space, where the distance measure does not necessarily satisfy the triangular inequality. We show that the…
We consider the problem of finding the $k^{th}$ highest element in a totally ordered set of $n$ elements (select), and partitioning a totally ordered set into the top $k$ and bottom $n-k$ elements (partition) using pairwise comparisons.…
Boundary integral equations and Nystrom discretization provide a powerful tool for the solution of Laplace and Helmholtz boundary value problems. However, often a weakly-singular kernel arises, in which case specialized quadratures that…
To address the high communication costs of distributed machine learning, a large body of work has been devoted in recent years to designing various compression strategies, such as sparsification and quantization, and optimization algorithms…
Learning sketching matrices for fast and accurate low-rank approximation (LRA) has gained increasing attention. Recently, Bartlett, Indyk, and Wagner (COLT 2022) presented a generalization bound for the learning-based LRA. Specifically, for…
We propose two distributed iterative algorithms that can be used to solve, in finite time, the distributed optimization problem over quadratic local cost functions in large-scale networks. The first algorithm exhibits synchronous operation…
The description of weakly bound electronic states is especially difficult with atomic orbital basis sets. The diffuse atomic basis functions that are necessary to describe the extended electronic state generate significant linear…
Multiple kernel learning (MKL), structured sparsity, and multi-task learning have recently received considerable attention. In this paper, we show how different MKL algorithms can be understood as applications of either regularization on…
We present COPSIM a parallel implementation of standard integer multiplication for the distributed memory setting, and COPK a parallel implementation of Karatsuba's fast integer multiplication algorithm for a distributed memory setting.…
We introduce Qronos -- a new state-of-the-art post-training quantization algorithm that sequentially rounds and updates neural network weights. Qronos not only explicitly corrects errors due to both weight and activation quantization, but…
Training large language models is generally done via optimization methods on clusters containing tens of thousands of accelerators, communicating over a high-bandwidth interconnect. Scaling up these clusters is expensive and can become…
We develop a method for improving the parallel scalability of the recently developed parallel selected inversion algorithm [Jacquelin, Lin and Yang 2014], named PSelInv, on massively parallel distributed memory machines. In the PSelInv…