Related papers: Projector-based efficient estimation of force cons…
Crystal structure modeling with graph neural networks is essential for various applications in materials informatics, and capturing SE(3)-invariant geometric features is a fundamental requirement for these networks. A straightforward…
This paper considers master equations for Markovian kinetic schemes that possess the detailed balance property. Chemical kinetics, as a prime example, often yields large-scale, highly stiff equations. Based on chemical intuitions, Sumiya et…
The exact recovery property of Basis pursuit (BP) and Orthogonal Matching Pursuit (OMP) has a relation with the coherence of the underlying frame. A frame with low coherence provides better guarantees for exact recovery. In particular,…
Tensor Factor Models (TFM) are appealing dimension reduction tools for high-order large-dimensional tensor time series, and have wide applications in economics, finance and medical imaging. In this paper, we propose a projection estimator…
The ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for a number of fields, with specific and immediate applications…
We propose a linear time and constant space algorithm for computing Euclidean projections onto sets on which a normalized sparseness measure attains a constant value. These non-convex target sets can be characterized as intersections of a…
We develop fixed-point algorithms for the approximation of structured matrices with rank penalties. In particular we use these fixed-point algorithms for making approximations by sums of exponentials, or frequency estimation. For the basic…
This work is a continuation of the ongoing research on deformation behavior of reinforced concrete elements under tension. The previous studies have revealed that deformation behaviors of elements reinforced with multiple bars and the…
A force measurement technique has been developed that utilizes a clamped fiber optic element both as a cantilever and as a highly sensitive probe of the static and dynamic displacement of a sample that is mounted near its free end. Light…
Filters from the Gammatone family are often used to model auditory signal processing, but the filter constant values used to mimic human hearing are largely set to values based on historical psychoacoustic data collected several decades…
We present an iterative inverse reinforcement learning algorithm to infer optimal cost functions in continuous spaces. Based on a popular maximum entropy criteria, our approach iteratively finds a weight improvement step and proposes a…
In this study, with the help of the Arduino UNO and Load-cell force sensor, a simple experimental material has been developed to calculate kinetic and static friction coefficients and analyse the friction force in detail. The system with a…
We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving…
Accurate ab initio calculations are of fundamental importance in physics, chemistry, biology, and materials science, which have witnessed rapid development in the last couple of years with the help of machine learning computational…
Physics-guided approaches offer a promising path toward accurate and generalisable impact identification in composite structures, especially when experimental data are sparse. This paper presents a hybrid framework for impact localisation…
Purpose: Field monitoring using field probes allows for accurate measurement of magnetic field perturbations, such as from eddy currents, during MRI scanning. However, errors may result when the spatial variation of the fields is not…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
A method to retrieve the elastic constants of rectangular wooden plates is presented, relying on the measurement of a set of eigenfrequencies and the identification of the corresponding mode shapes, and belonging to the more general…
A first-principles method is presented to calculate elastic constants up to the fourth order of crystals with the cubic and hexagonal symmetries. The method relies on the numerical differentiation of the second Piola-Kirchhoff stress tensor…
In this paper, a force-based beam finite element model based on a modified higher-order shear deformation theory is proposed for the accurate analysis of functionally graded beams. In the modified higher-order shear deformation theory, the…