Related papers: Computing localized representations of the kohn-sh…
We present a novel method for matrix completion, specifically designed for matrices where one dimension is significantly larger than the other. Our Columns Selected Matrix Completion (CSMC) method combines Column Subset Selection with…
In many real-world problems, we are dealing with collections of high-dimensional data, such as images, videos, text and web documents, DNA microarray data, and more. Often, high-dimensional data lie close to low-dimensional structures…
Sequential robot manipulation tasks require finding collision-free trajectories that satisfy geometric constraints across multiple object interactions in potentially high-dimensional configuration spaces. Solving these problems in real-time…
This paper proposes a novel low-complexity three-dimensional (3D) localization algorithm for wireless sensor networks, termed quanternion-domain super multi-dimensional scaling (QD-SMDS). The algorithm is based on a reformulation of the…
The Half-Space Matching (HSM) method has recently been developed as a new method for the solution of 2D scattering problems with complex backgrounds, providing an alternative to Perfectly Matched Layers (PML) or other artificial boundary…
We describe a simple method for estimating the vertical column density in Smoothed Particle Hydrodynamics (SPH) simulations of discs. As in the method of Stamatellos et al. (2007), the column density is estimated using pre-computed local…
Models defined by stochastic differential equations (SDEs) allow for the representation of random variability in dynamical systems. The relevance of this class of models is growing in many applied research areas and is already a standard…
We propose an efficient hyper-reduced order model (HROM) designed for segregated finite-volume solvers in geometrically parametrized problems. The method follows a discretize-then-project strategy: the full-order operators are first…
This paper presents a systematic study of applying composite method approximations with locally dense basis sets (LDBS) to efficiently calculate NMR shielding constants in small and medium-sized molecules. The pcSseg-n series of basis sets…
Chemistry has a key role in the evolution of the interstellar medium (ISM), so it is highly desirable to follow its evolution in numerical simulations. However, it may easily dominate the computational cost when applied to large systems. In…
Subspace clustering has become widely adopted for the unsupervised analysis of hyperspectral images (HSIs). Recent model-aware deep subspace clustering methods often use a two-stage framework, involving the calculation of a…
The randomized singular value decomposition proposed in [27] has certainly become one of the most well-established randomization-based algorithms in numerical linear algebra. The key ingredient of the entire procedure is the computation of…
A myriad of phenomena in materials science and chemistry rely on quantum-level simulations of the electronic structure in matter. While moving to larger length and time scales has been a pressing issue for decades, such large-scale…
We consider the problem of high-dimensional filtering of state-space models (SSMs) at discrete times. This problem is particularly challenging as analytical solutions are typically not available and many numerical approximation methods can…
We propose an efficient algorithm for the recently published electron/hole-transfer Dynamical-weighted State-averaged Constrained CASSCF (eDSC/hDSC) method studying charge transfer states and D$_1$-D$_0$ crossings for systems with odd…
We introduce $\textit{sorted weight sectioning}$ (SWS): a weight allocation algorithm that places sorted deep neural network (DNN) weight sections on bit-sliced compute-in-memory (CIM) crossbars to reduce analog-to-digital converter (ADC)…
We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referred to as 'Bohm SPH'. This treatment is founded upon Bohm's…
The inherently high computational cost of iterative self-consistent-field (SCF) methods proves to be a critical issue delaying visual and haptic feedback in real-time quantum chemistry. In this work, we introduce two schemes for SCF…
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulation with noisy intermediate scale (NISQ) and error corrected…
In this paper, a novel low-complexity detection algorithm for spatial modulation (SM), referred to as the minimum-distance of maximum-length (m-M) algorithm, is proposed and analyzed. The proposed m-M algorithm is a smart searching method…