ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data by Anthony S. Barente (14035175)

Subjects:

Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications by P. Bernát Szabó (10526316)

“…The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD­(T) variant are adopted, including the iteration- and redundancy-free second-order Møller–Plesset and (T) formulations as well as the integral-direct, memory- and disk use-economic, and OpenMP-parallel algorithms. For large molecules, the efficiency of our open-shell LNO-CCSD­(T) method approaches that of its closed-shell parent method due to the application of restricted orbital sets for demanding integral transformations and a novel approximation for higher-order long-range spin-polarization effects. …”

Test results of multimodal benchmark functions. by Ruiyu Zhan (21602031)

“…The experimental results show the exceptional strengths of the proposed LGWO-BP method, particularly its accuracy and reliability compared to GWO-BP, and show that it achieves comparative results against state-of-the-art (SOTA) methods. …”

Fixed-dimensional multimodal reference functions. by Ruiyu Zhan (21602031)

“…The experimental results show the exceptional strengths of the proposed LGWO-BP method, particularly its accuracy and reliability compared to GWO-BP, and show that it achieves comparative results against state-of-the-art (SOTA) methods. …”

Test results of multimodal benchmark functions. by Ruiyu Zhan (21602031)

“…The experimental results show the exceptional strengths of the proposed LGWO-BP method, particularly its accuracy and reliability compared to GWO-BP, and show that it achieves comparative results against state-of-the-art (SOTA) methods. …”

Effectiveness of RWOA and other SOTA algorithms. by Junhao Wei (6816803)

“…We also conducted a quantitative analysis of RWOA and compared its performance with other state-of-the-art (SOTA) metaheuristic algorithms. …”

Summary of recent and state-of-the-art optimization algorithms. by Mahmood A. Jumaah (22272371)

Compression rate of DDQR using real data. by Yujun Wang (1947196)

Subjects:

Comparison of compression rates of DDQR and Geco3 using real data. by Yujun Wang (1947196)

Subjects:

Exemplary usage of DDQR in the supply chain for various applications. by Yujun Wang (1947196)

Subjects:

MSEs for the adaptive filtering algorithms by using hyperbolic functions. by Sihai Guan (11547518)

Subjects:

MSEs for the adaptive filtering algorithms by using hyperbolic functions. by Sihai Guan (11547518)

Subjects:

MSEs for the adaptive filtering algorithms by using hyperbolic functions. by Sihai Guan (11547518)

Subjects:

MSEs for the adaptive filtering algorithms by using hyperbolic functions. by Sihai Guan (11547518)

Subjects:

Comparative Analysis (Security Functionalities). by Naif Alzahrani (19992885)

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”

Heterogeneity Analysis on Multi-State Brain Functional Connectivity and Adolescent Neurocognition by Shiying Wang (5179559)

“…Through integrating resting-state and task-related functional connectomes, we dissect heterogeneous effect mechanisms on children’s fluid intelligence from the functional network phenotypes, including Fronto-parietal Network and Default Mode Network, under different cognitive states. …”

Performance comparisons of OMWOA with state-of-the-art competitors on the IEEE CEC 2022 benchmark functions. by Kankan Tang (21474968)

States in a transaction flow. by Shamsudeen Sajna (22600978)

Subjects: