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Clustering multidimensional points is a fundamental data mining task, with applications in many fields, such as astronomy, neuroscience, bioinformatics, and computer vision. The goal of clustering algorithms is to group similar objects…

The AC Optimal Power Flow (AC-OPF) is a key building block in many power system applications. It determines generator setpoints at minimal cost that meet the power demands while satisfying the underlying physical and operational…

We propose a novel second-order optimization framework for training the emerging deep continuous-time models, specifically the Neural Ordinary Differential Equations (Neural ODEs). Since their training already involves expensive gradient…

We demonstrate how to scalably solve a class of constrained self-concordant minimization problems using linear minimization oracles (LMO) over the constraint set. We prove that the number of LMO calls of our method is nearly the same as…

Simulating the dynamics of charged particles in quasi-two-dimensional (quasi-2D) nanoconfined systems presents a significant computational challenge due to the long-range nature of electrostatic interactions and the geometric anisotropy. To…

We study a cutting-plane method for semidefinite optimization problems (SDOs), and supply a proof of the method's convergence, under a boundedness assumption. By relating the method's rate of convergence to an initial outer approximation's…

Despite the great success Kohn-Sham density functional theory (KS-DFT) has achieved, the delocalization error remains a major challenge for commonly used density functional approximations (DFAs), resulting in systematic errors in ionization…

We present a numerical method for grand canonical density functional theory (DFT) tailored to solid-state systems, employing Gaussian-type orbitals as the primary basis. Our approach directly minimizes the grand canonical free energy using…

Spreading of liquid droplets on solid substrates constitutes a classic multiphysics problem with widespread applications ranging from inkjet printing, spray cooling, to biomedical microfluidic systems. Yet, accurate computational fluid…

This paper introduces an incremental training framework for compressing popular Deep Neural Network (DNN) based unfolded multiple-input-multiple-output (MIMO) detection algorithms like DetNet. The idea of incremental training is explored to…

The computational complexity of internal diffusion-limited aggregation (DLA) is examined from both a theoretical and a practical point of view. We show that for two or more dimensions, the problem of predicting the cluster from a given set…

Quantization can improve the execution latency and energy efficiency of neural networks on both commodity GPUs and specialized accelerators. The majority of existing literature focuses on training quantized DNNs, while this work examines…

Local pseudopotential (LPP) is an important component of the orbital free density functional theory (OF-DFT), which is a promising large scale simulation method that can still maintain information of electron state in materials. Up to date,…

Due to the nonlocal feature of fractional differential operators, the numerical solution to fractional partial differential equations usually requires expensive memory and computation costs. This paper develops a fast scheme for fractional…

We propose a novel reduced-order methodology to describe complex multi-frequency fluid dynamics from time-resolved snapshot data. Starting point is the Cluster-based Network Model (CNM) thanks to its fully automatable development and human…

Deep neural networks (DNNs) have inspired new studies in myriad edge applications with robots, autonomous agents, and Internet-of-things (IoT) devices. However, performing inference of DNNs in the edge is still a severe challenge, mainly…

This paper introduces conformal Lyapunov optimization (CLO), a novel resource allocation framework for networked systems that optimizes average long-term objectives, while satisfying deterministic long-term reliability constraints. Unlike…

Scaling deep neural network (DNN) training to more devices can reduce time-to-solution. However, it is impractical for users with limited computing resources. FOSI, as a hybrid order optimizer, converges faster than conventional optimizers…

Nonnegative matrix factorization (NMF) is a powerful technique for dimension reduction, extracting latent factors and learning part-based representation. For large datasets, NMF performance depends on some major issues: fast algorithms,…

Clustering is a fundamental task in the computer vision and machine learning community. Although various methods have been proposed, the performance of existing approaches drops dramatically when handling incomplete high-dimensional data…