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In this paper, we investigate the problem of simulating open system dynamics governed by the well-known Lindblad master equation. In our prequel paper, we introduced an input model in which Lindblad operators are encoded into pure quantum…
This study deals with two-dimensional (2D) signal processing using the wavelet packet transform. When the basis is unknown the candidate of basis increases in exponential order with respect to the signal size. Previous studies do not…
We explore the propagation and transformation of electromagnetic waves through spatially homogeneous yet smoothly time-dependent media within the framework of classical electrodynamics. By modelling the smooth transition, occurring during a…
Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…
We derive expressions for the dynamical matrix of a crystalline solid with total potential energy described by an embedded-atom-method (EAM) potential. We make no assumptions regarding the number of atoms per unit cell. These equations can…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
Over the last decade, big data have poured into econometrics, demanding new statistical methods for analysing high-dimensional data and complex non-linear relationships. A common approach for addressing dimensionality issues relies on the…
A fresh approach to the full wave analysis of time evolution of the polarization induced in the electromagnetic scattering from dispersive non magnetic particles is presented. It is grounded on the combination of the Hopfield model for the…
Optimization of unitary transformations in Variational Quantum Algorithms benefits highly from efficient evaluation of cost function gradients with respect to amplitudes of unitary generators. We propose several extensions of the…
Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an…
A first comprehensive treatment on complex eigenmodes is presented for general lossy traveling-wave electromagnetic structures where the per unit length propagation phase shift ($\beta$) dependent complex eigenfrequencies $\Omega(\beta)$…
A new empirical Bayes approach to variable selection in the context of generalized linear models is developed. The proposed algorithm scales to situations in which the number of putative explanatory variables is very large, possibly much…
We have examined the validity of the time-dependent variational approximation (TDVA) to the Gaussian wavepacket method (GWM) for quantum double-well (DW) systems, by using the quasi-exact spectral method (SM). Comparisons between results of…
Natural orbital theory is a computationally useful approach to the few and many-body quantum problem. While natural orbitals are known and applied since many years in electronic structure applications, their potential for time-dependent…
Complex time series models such as (the sum of) ARMA$(p,q)$ models with additional noise, random walks, rounding errors and/or drifts are increasingly used for data analysis in fields such as biology, ecology, engineering and economics…
Energy-based models (EBMs) provide a powerful and flexible way of learning a joint probability distribution over data by constructing an energy surface. This energy surface enables insight extraction and conditional sampling. We apply EBMs…
Motivated by recent progress of quantum technologies, we study a discretized quantum adiabatic process for a one-dimensional free fermion system described by a variational wave function, i.e., a parametrized quantum circuit. The wave…
The Wave Based Method (WBM) is a Trefftz method for the simulation of wave problems in vibroacoustics. Like other Trefftz methods, it employs a non-standard discretisation basis consisting of solutions of the partial differential equation…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
A new non-ergodic ground-motion model (GMM) for effective amplitude spectral ($EAS$) values for California is presented in this study. $EAS$, which is defined in Goulet et al. (2018), is a smoothed rotation-independent Fourier amplitude…