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Density functional theory (DFT) has been actively used and developed recently. DFT is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, and others. In this…
We study the problem of decomposing a volume bounded by a smooth surface into a collection of Voronoi cells. Unlike the dual problem of conforming Delaunay meshing, a principled solution to this problem for generic smooth surfaces remained…
The fully-connected tensor network (FCTN) decomposition has recently exhibited strong modeling capabilities by connecting every pair of tensor factors, thereby capturing rich cross-mode correlations. However, this advantage comes with an…
In the context of 3D mapping, larger and larger point clouds are acquired with LIDAR sensors. The Iterative Closest Point (ICP) algorithm is used to align these point clouds. However, its complexity is directly dependent of the number of…
We present a numerical algorithm that enables a phase-space adaptive Eulerian Vlasov-Fokker-Planck (VFP) simulation of an inertial confinement fusion (ICF) capsule implosion. The approach relies on extending a recent mass, momentum, and…
We present a new family of fast and robust methods for the calculation of the vapor-liquid equilibrium at isobaric-isothermal (PT-flash), isochoric-isothermal (VT-flash), isenthalpic-isobaric (HP-flash), and isoenergetic-isochoric…
We describe an iterative algorithm to construct an unstructured tessellation of simplices (irregular tetrahedra in 3-dimensions) to approximate an arbitrary function to a desired precision by interpolation. The method is applied to the…
Dissipative estimator (observer) design for continuous time-delay systems poses a significant challenge when an unlimited number of pointwise and general distributed delays (DDs) are concerned. We propose an effective solution to this…
The application of Voronoi and Delaunay tessellation based methods for reconstructing continuous fields from discretely sampled data sets is discussed. The succesfull operation as ``multidimensional interpolation'' method is corroborated…
Fast Multipole Methods (FMMs) based on the oscillatory Helmholtz kernel can reduce the cost of solving N-body problems arising from Boundary Integral Equations (BIEs) in acoustic or electromagnetics. However, their cost strongly increases…
We propose a method to determine the quantum phase boundaries of one-dimensional systems using sine-square deformation (SSD). Based on the proposition, supported by several exactly solved cases though not proven in full generality, that "if…
Multi-modal methods based on camera and LiDAR sensors have garnered significant attention in the field of 3D detection. However, many prevalent works focus on single or partial stage fusion, leading to insufficient feature extraction and…
QR decomposition is an essential operation for solving linear equations and obtaining least-squares solutions. In high-performance computing systems, large-scale parallel QR decomposition often faces node faults. We address this issue by…
Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid…
Spectral CT offers enhanced material discrimination over single-energy systems and enables quantitative estimation of basis material density images. Water/iodine decomposition in contrast-enhanced CT is one of the most widespread…
Object detection models demand large-scale annotated datasets, which are costly and labor-intensive to create. This motivated Imaginary Supervised Object Detection (ISOD), where models train on synthetic images and test on real images.…
Focal Ratio Degradation (FRD) in fibres is a crucial factor to control in astronomical instruments in order to minimize light loss. As astronomical instrumentation has advanced, the integration of large populations of fibres has become…
Tabular data from IIoT devices are typically analyzed using decision tree-based machine learning techniques, which struggle with high-dimensional and numeric data. To overcome these limitations, techniques converting tabular data into…
Digital fringe projection (DFP) enables micrometer-level 3D reconstruction, yet extending it to large-scale mapping remains challenging because six-degree-of-freedom pose estimation often cannot match the reconstruction's precision.…
Adaptive sampling with interpolation-based trust regions or ASTRO-DF is a successful algorithm for stochastic derivative-free optimization with an easy-to-understand-and-implement concept that guarantees almost sure convergence to a…