Related papers: Canonical-Polyadic-Decomposition of the Potential …
We present results from the molecular dynamics (MD) simulation of surface-directed spinodal decomposition (SDSD) in binary fluid mixtures ($A+B$) with off-critical compositions. The aim is to elucidate the role of composition ratio in the…
We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to…
The Randomized Singular Value Decomposition (RSVD) is a widely used algorithm for efficiently computing low-rank approximations of large matrices, without the need to construct a full-blown SVD. Of interest, of course, is the approximation…
In this paper, a symplectic model reduction technique, proper symplectic decomposition (PSD) with symplectic Galerkin projection, is proposed to save the computational cost for the simplification of large-scale Hamiltonian systems while…
Symbolic regression (SR) models complex systems by discovering mathematical expressions that capture underlying relationships in observed data. However, most SR methods prioritize minimizing prediction error over identifying the governing…
Dictionary learning and component analysis are part of one of the most well-studied and active research fields, at the intersection of signal and image processing, computer vision, and statistical machine learning. In dictionary learning,…
This paper proposes the first self-supervised 6D object pose prediction from multimodal RGB+polarimetric images. The novel training paradigm comprises 1) a physical model to extract geometric information of polarized light, 2) a…
We present a novel coreset construction algorithm for solving classification tasks using Support Vector Machines (SVMs) in a computationally efficient manner. A coreset is a weighted subset of the original data points that provably…
In combating climate change, an effective demand-based energy supply operation of the district energy system (DES) for heating or cooling is indispensable. As a consequence, an accurate forecast of heat consumption on the consumer side…
The correlation discrete variable representation (CDVR) enables efficient quantum dynamics calculation with the multi-layer multi-configurational time-dependent Hartree (MCTDH) approach on general potential energy surfaces. It employs a…
In pick and place (P&P) process of surface mount technology (SMT) the placed component can shift from its ideal (or designed) position on the wet solder paste. The solder paste with some fluid properties could slump and the unbalance…
Coarse Grid Projection (CGP) methodology is used to accelerate the computations of sets of decoupled nonlinear evolutionary and linear static equations. In CGP, the linear equations are solved on a coarsened mesh compared to the nonlinear…
Accurate thermal analysis of composites and porous media requires detailed characterization of local thermal properties in small scale. For some important applications such as lithium-ion batteries, changes in the properties during the…
The ability to express a learning task in terms of a primal and a dual optimization problem lies at the core of a plethora of machine learning methods. For example, Support Vector Machine (SVM), Least-Squares Support Vector Machine…
Engineering simulations are usually based on complex, grid-based, or mesh-free methods for solving partial differential equations. The results of these methods cover large fields of physical quantities at very many discrete spatial…
This paper introduces an efficient algorithm based on the Parity-Consistent Decomposition (PCD) method to determine the WD of pre-transformed polar codes. First, to address the bit dependencies introduced by the pre-transformation matrix,…
The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the binding energy…
The paper presents a strategy to construct an incremental Singular Value Decomposition (SVD) for time-evolving, spatially 3D discrete data sets. A low memory access procedure for reducing and deploying the snapshot data is presented.…
We investigate a novel approach to approximate tensor-network contraction via the exact, matrix-free decomposition of full tensor-networks. We study this method as a means to eliminate the propagation of error in the approximation of…
Electricity consumption forecasting has vital importance for the energy planning of a country. Of the enabling machine learning models, support vector regression (SVR) has been widely used to set up forecasting models due to its superior…