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Sparse Subspace Clustering (SSC) has achieved state-of-the-art clustering quality by performing spectral clustering over a $\ell^{1}$-norm based similarity graph. However, SSC is a transductive method which does not handle with the data not…
Due to possible emergency faults and frequency regulation reserve shortage in the multi-infeed hybrid AC-DC (MIDC) system, the emergency frequency control (EFC) with LCC-HVDC systems participating is important for system frequency…
We develop a simulation framework for electrostatic and transport modeling of 2D Topological insulator field-effect transistor (2D TIFETs), based solely on first-principles calculations using density functional theory (DFT). We find that…
AC optimal transmission switching (AC-OTS) is a computationally challenging problem due to the nonconvexity and nonlinearity of AC power-flow (PF) equations coupled with a large number of binary variables. A computationally efficient…
We propose a novel adaptive damping algorithm for the self-consistent field (SCF) iterations of Kohn-Sham density-functional theory, using a backtracking line search to automatically adjust the damping in each SCF step. This line search is…
The time-dependent restricted-active-space self-consistent-field singles (TD-RASSCF-S) method is presented for investigating TD many-electron dynamics in atoms and molecules. Adopting the SCF notion from the muticonfigurational TD…
This paper focusses on the optimal control problems governed by fourth-order linear elliptic equations with clamped boundary conditions in the framework of the Hessian discretisation method (HDM). The HDM is an abstract framework that…
The recent many-fold increase in the size of deep neural networks makes efficient distributed training challenging. Many proposals exploit the compressibility of the gradients and propose lossy compression techniques to speed up the…
Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…
Stochastic computing (SC) is an emerging computing technique that promises high density, low power, and error tolerant solutions. In SC, values are encoded as unary bitstreams and SC arithmetic circuits operate on one or more bitstreams. In…
The quasi-neutral hybrid model with kinetic ions and fluid electrons is a promising approach for bridging the inherent multi-scale nature of many problems in space and laboratory plasmas. Here, a novel, implicit, particle-in-cell based…
Predictive design and optimization methods for controlled quantum systems depend on the accuracy of the system model. Any distortion of the input fields in an experimental platform alters the model accuracy and eventually disturbs the…
The Hessian-vector product has been utilized to find a second-order stationary solution with strong complexity guarantee (e.g., almost linear time complexity in the problem's dimensionality). In this paper, we propose to further reduce the…
Numerical simulations of cardiovascular mass transport pose significant challenges due to the wide range of P\'eclet numbers and backflow at Neumann boundaries. In this paper we present and discuss several numerical tools to address these…
Distributed state estimation (DSE) is considered as a more robust and reliable alternative for centralized state estimation (CSE) in power system. Especially, taking into account the future power grid, so called smart grid in which…
We propose an efficient method to compute a small set of integer-constrained cone singularities, which induce a rotationally seamless conformal parameterization with low distortion. Since the problem only involves discrete variables, i.e.,…
We propose, analyze, and test a penalty projection-based efficient and accurate algorithm for the Uncertainty Quantification (UQ) of the time-dependent Magnetohydrodynamic (MHD) flow problems in convection-dominated regimes. The algorithm…
This work aims to introduce a heuristic timestep-adaptive algorithm for Computational Fluid Dynamics (CFD) and Fluid-Structure Interaction (FSI) problems where the flow is dominated by the pressure. In such scenarios, many time-adaptive…
We present the Continuous Empirical Cubature Method (CECM), a novel algorithm for empirically devising efficient integration rules. The CECM aims to improve existing cubature methods by producing rules that are close to the optimal,…
A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating dense fluid flows at molecular scales. The I-DSMC algorithm eliminates all grid…