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We propose an extensive framework for additive regression models for correlated functional responses, allowing for multiple partially nested or crossed functional random effects with flexible correlation structures for, e.g., spatial,…
Local feature extraction is a standard approach in computer vision for tackling important tasks such as image matching and retrieval. The core assumption of most methods is that images undergo affine transformations, disregarding more…
We developed a semiclassical approximation method in combination with an adaptive moment estimation optimizer (SCA + ADAM) approach based on the PyTorch plus CUDA library on a the graphics processing unit (GPU). This method was employed to…
Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulation and experiment: on the one hand, the frequent lack of a…
According to conventional neural network theories, the feature of single-hidden-layer feedforward neural networks(SLFNs) resorts to parameters of the weighted connections and hidden nodes. SLFNs are universal approximators when at least the…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the…
We study the basic features of the two-dimensional quantum Hubbard Model at half-filling by means of the L\"uscher algorithm and the algorithm based on direct update of the determinant of the fermionic matrix. We implement the L\"uscher…
Accurate predictions of material properties within the chemical space of transition metal fluorides (TMFs), using density functional theory (DFT) is important for advancing several technological applications. The state-of-the-art semi-local…
We introduce regular series expansion for weakly- and moderately-correlated fermionic systems, based on Fluctuating Local Field approach. The method relies on the explicit account of leading fluctuating mode(s) and is therefore suitable for…
N-body simulations and trajectory analysis rely on the calculation of attributes that depend on pairwise particle distances within a cutoff. Interparticle potential energies, forces, distribution functions, neighbor lists, and…
Function approximation has been an indispensable component in modern reinforcement learning algorithms designed to tackle problems with large state spaces in high dimensions. This paper reviews recent results on error analysis for these…
Motivated by the growing use of artificial intelligence (AI) tools in control design, this paper analyses the intersection between results from gradient methods for the model-free linear quadratic regulator (LQR), and linear feedforward…
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the…
The atomistic Hubbard interaction U, representing the on-site Coulomb repulsion, serves as a pivotal parameter in theoretical models describing of correlated systems, yet its precise experimental determination especially in moir\'e systems…
The functional linear model extends the notion of linear regression to the case where the response and covariates are iid elements of an infinite dimensional Hilbert space. The unknown to be estimated is a Hilbert-Schmidt operator, whose…
In functional linear regression, the parameters estimation involves solving a non necessarily well-posed problem and it has points of contact with a range of methodologies, including statistical smoothing, deconvolution and projection on…
Using density functional theory (DFT) and linear response approaches, we compute the on-site Hubbard interaction $U$ of elemental Terbium (Tb) metal in the pressure range $\sim 0-65$ GPa. The resulting first-principles $U$ values with…
In this article we propose a novel nonstationary iterated Tikhonov (NIT) type method for obtaining stable approximate solutions to ill-posed operator equations modeled by linear operators acting between Hilbert spaces. Geometrical…
The theoretical analysis of $\bar{p}-\Lambda \oplus p-\bar{\Lambda}$ correlation function in 10% most central Au+Au collisions at RHIC energy $\sqrt{s_{NN}}=200$ GeV shows that the contribution of residual correlations is the necessary…
The fermionic and bosonic sectors of the 2-site Hubbard model have been exactly solved by means of the equation of motion and Green's function formalism. The exact solution of the t-J model has been also reported to investigate the…