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Search · four archives
12 papers · ranked by Valyu relevance
Theodoros Anagnostopoulos, Evanthia Zervoudi, Christos Anagnostopoulos, Apostolos Christopoulos + 1 more
Linear regression analysis focuses on predicting a numeric regressand value based on certain regressor values. In this context, k-Nearest Neighbors (k-NN) is a common non-parametric regression algorithm, which achieves efficient performance when compared with other algorithms in literature. In this research effort an…
Mohamed Ahmed Ebrahim Mohamed, Shymaa Nasser Ahmed, Mohamed Eladly Metwally
'Mohamed Eladly Metwally'] This paper suggests an optimal maximum power point tracking (MPPT) control scheme for a grid-connected photovoltaic (PV) system using the arithmetic optimization algorithm (AOA). The parameters of the proportional-integral (PI) controller-based incremental conductance (IC) MPPT are optimally…
Amal Altamimi, Belgacem Ben Youssef
The square root operation is indispensable in a myriad of computational science and engineering applications. Various computational techniques have been devised to approximate its value. In particular, convergence methods employed in this regard are highly affected by the initial approximation of the seed value.…
Mikhail Selianinau, Yuriy Povstenko, Sergio Cruces, Rubén Martín-Clemente + 2 more
'Rubén Martín-Clemente' 'Andrzej Cichocki' 'Iván Durán-Díaz'] In this paper, we deal with the critical problems in residue arithmetic. The reverse conversion from a Residue Number System (RNS) to positional notation is a main non-modular operation, and it constitutes a basis of other non-modular procedures used to…
Xiaotong Wei, Ying Yang, Jie Chen, Alejandro Linares-Barranco
Division is generally regarded as a low-frequency, high-latency operation in integer operations. Division is also the operation that stalls the processor pipeline most frequently. In order to improve the overall performance of embedded processors, a low-delay divider for embedded processors was designed. Based on the…
Ali Baharev, Hermann Schichl, Endre Rév
The computations involving the noncentral-F distribution are notoriously difficult to implement properly in floating-point arithmetic: Catastrophic loss of precision, floating-point underflow and overflow, drastically increasing computation time and program hang-ups, and instability due to numerical cancellation have…
Authors not listed
We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We…
Zhihao Lan, WanZhen Liang
The variational quantum eigensolver (VQE) algorithm can simulate the chemical systems such as molecules in the noisy intermediate-scale quantum devices and shows promising applications in quantum chemistry simulations. The accuracy and computational cost of the VQE simulations are determined by the underlying Ansätze.…
Eric Hermes, Khachik Sargsyan, Habib Najm, Judit Zádor
We present a new algorithm for the optimization of molecular structures to saddle points on the potential energy surface using a redundant internal coordinate system. This algorithm automates the procedure of defining the internal coordinate system, including the handling of linear bending angles, e.g. through the…
MARCO TODISCO
Determining the distribution of multiple chemical species at equilibrium for a given system is a common problem that must be routinely addressed by scholars. While simple systems consisting of a few species and reactions can be solved manually, most of these problems require the definition and solution of higher-order…
Pavel Pokhilko, Evgeny Epifanovsky, Anna I. Krylov
Using single precision floating point representation reduces the size of data and computation time by a factor of two relative to double precision conventionally used in electronic structure programs. For large-scale calculations, such as those encountered in many-body theories, reduced memory footprint alleviates…
Authors not listed
The SCF part of the HF-SCF method is responsible for finding the ground state as the global minimum of the one-determinant approximation of the electronic energy, which is a 4th order multivariable polynomial of the LCAO coefficients and Lagrange multipliers. In this work we replace this SCF part with algebraic…