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Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep…

Biomolecules · Quantitative Biology 2023-12-01 Jiaxian Yan , Zaixi Zhang , Kai Zhang , Qi Liu

The joint bidiagonalization (JBD) method has been used to compute some extreme generalized singular values and vectors of a large regular matrix pair $\{A,L\}$, where we propose three approaches to compute approximate generalized singular…

Numerical Analysis · Mathematics 2023-09-19 Zhongxiao Jia , Haibo Li

Algorithms for numerical tasks in finite precision simultaneously seek to minimize the number of floating point operations performed, and also the number of bits of precision required by each floating point operation. This paper presents an…

Numerical Analysis · Mathematics 2024-08-20 Rikhav Shah

In this paper, we investigate optimization problems with nonnegative and orthogonal constraints, where any feasible matrix of size $n \times p$ exhibits a sparsity pattern such that each row accommodates at most one nonzero entry. Our…

Optimization and Control · Mathematics 2025-11-06 Lei Wang , Xin Liu , Xiaojun Chen

The convergence rates of iterative methods for solving a linear system $\mathbf{A} x = b$ typically depend on the condition number of the matrix $\mathbf{A}$. Preconditioning is a common way of speeding up these methods by reducing that…

Optimization and Control · Mathematics 2021-11-04 Arun Jambulapati , Jerry Li , Christopher Musco , Aaron Sidford , Kevin Tian

Randomized sampling has recently been demonstrated to be an efficient technique for computing approximate low-rank factorizations of matrices for which fast methods for computing matrix vector products are available. This paper describes an…

Numerical Analysis · Mathematics 2008-06-17 Per-Gunnar Martinsson

Joint space trajectory optimization under end-effector task constraints leads to a challenging non-convex problem. Thus, a real-time adaptation of prior computed trajectories to perturbation in task constraints often becomes intractable.…

Multi-task learning, which optimizes performance across multiple tasks, is inherently a multi-objective optimization problem. Various algorithms are developed to provide discrete trade-off solutions on the Pareto front. Recently, continuous…

Machine Learning · Computer Science 2024-07-31 Weiyu Chen , James T. Kwok

Approximate joint diagonalization of a set of matrices provides a powerful framework for numerous statistical signal processing applications. For non-unitary joint diagonalization (NUJD) based on the least-squares (LS) criterion, outliers,…

Signal Processing · Electrical Eng. & Systems 2021-07-14 Wenjuan Liu , Dazheng Feng , Bingnan Pei , Mengdao Xing , Xinhong Meng , Qianru Wei

We analyze several versions of Jacobi's method for the symmetric eigenvalue problem. Our goal is to reduce the asymptotic cost of the algorithm as much as possible, as measured by the number of arithmetic operations performed and associated…

Numerical Analysis · Mathematics 2026-04-21 James Demmel , Hengrui Luo , Ryan Schneider , Yifu Wang

Joint ptychography and tomography (JPT) is a recently developed framework that enables high-resolution reconstruction of 3D volumes with significantly relaxed constraints on probe overlap at adjacent scan positions. In ptychographic X-ray…

Image and Video Processing · Electrical Eng. & Systems 2020-02-20 Azat M. Slyamov , Viktor Nikitin , Doğa Gürsoy , Rajmund Mokso , Jens W. Andreasen

The adaptive gradient online learning method known as AdaGrad has seen widespread use in the machine learning community in stochastic and adversarial online learning problems and more recently in deep learning methods. The method's…

Machine Learning · Computer Science 2016-10-05 Nishant A. Mehta , Alistair Rendell , Anish Varghese , Christfried Webers

We propose a new signaling scheme for on-chip optical-electrical-optical artificial neural networks that utilizes orthogonal delay-division multiplexing and pilot-tone based self-homodyne detection. This scheme offers a more efficient…

Emerging Technologies · Computer Science 2023-10-20 Andrea Zazzi , Arka Dipta Das , Lukas Hüssen , Renato Negra , Jeremy Witzens

This paper studies an optimization problem on the sum of traces of matrix quadratic forms in $m$ semi-orthogonal matrices, which can be considered as a generalization of the synchronization of rotations. While the problem is nonconvex, the…

Optimization and Control · Mathematics 2021-10-13 Joong-Ho Won , Teng Zhang , Hua Zhou

Among applications of deep learning (DL) involving low cost sensors, remote image classification involves a physical channel that separates edge sensors and cloud classifiers. Traditional DL models must be divided between an encoder for the…

Image and Video Processing · Electrical Eng. & Systems 2023-10-31 Siyu Qi , Achintha Wijesinghe , Lahiru D. Chamain , Zhi Ding

Identifying the connected components of a graph, apart from being a fundamental problem with countless applications, is a key primitive for many other algorithms. In this paper, we consider this problem in parallel settings. Particularly,…

Data Structures and Algorithms · Computer Science 2020-03-13 Soheil Behnezhad , Laxman Dhulipala , Hossein Esfandiari , Jakub Łącki , Vahab Mirrokni

This paper studies the compact coding approach to approximate nearest neighbor search. We introduce a composite quantization framework. It uses the composition of several ($M$) elements, each of which is selected from a different…

Computer Vision and Pattern Recognition · Computer Science 2017-12-05 Jingdong Wang , Ting Zhang

We consider the problem of finding the optimal diagonal preconditioner for a positive definite matrix. Although this problem has been shown to be solvable and various methods have been proposed, none of the existing approaches are scalable…

Numerical Analysis · Mathematics 2024-11-07 Wenzhi Gao , Zhaonan Qu , Madeleine Udell , Yinyu Ye

We address the problem of estimating the pose and shape of vehicles from LiDAR scans, a common problem faced by the autonomous vehicle community. Recent work has tended to address pose and shape estimation separately in isolation, despite…

Computer Vision and Pattern Recognition · Computer Science 2020-09-10 Hunter Goforth , Xiaoyan Hu , Michael Happold , Simon Lucey

By using the Hadamard matrix product concept, this paper introduces two generalized matrix formulation forms of numerical analogue of nonlinear differential operators. The SJT matrix-vector product approach is found to be a simple,…

Computational Engineering, Finance, and Science · Computer Science 2024-09-21 W. Chen