Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4

2019 ◽  
Author(s):  
Golokesh Santra ◽  
Nitai Sylvetsky ◽  
Gershom Martin
Keyword(s):  
Substantial Improvement ◽  
Viable Alternative ◽  
Mean Absolute Deviation ◽  
Dispersion Correction ◽  
Training Set ◽  
Weighted Mean ◽  
Absolute Deviation ◽  
Hybrid Functionals ◽  
Scaling Algorithms

We present a family of minimally empirical double-hybrid DFT functionals parametrized against the very large and diverse GMTKN55 benchmark. The very recently proposed wB97M(2) empirical double hybrid (with 16 empirical parameters) has the lowest WTMAD2 (weighted mean absolute deviation over GMTKN55) ever reported at 2.19 kcal/mol. However, our xrevDSD-PBEP86-D4 functional reaches a statistically equivalent WTMAD2=2.22 kcal/mol, using just a handful of empirical parameters, and the xrevDOD-PBEP86-D4 functional reaches 2.25 kcal/mol with just opposite-spin MP2 correlation, making it amenable to reduced-scaling algorithms. In general, the D4 empirical dispersion correction is clearly superior to D3BJ. If one eschews dispersion corrections of any kind, noDispSD-SCAN offers a viable alternative. Parametrization over the entire GMTKN55 dataset yields substantial improvement over the small training set previously employed in the DSD papers.

Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4

2019 ◽  
Author(s):  
Golokesh Santra ◽  
Nitai Sylvetsky ◽  
Gershom Martin
Keyword(s):  
Substantial Improvement ◽  
Viable Alternative ◽  
Mean Absolute Deviation ◽  
Dispersion Correction ◽  
Training Set ◽  
Weighted Mean ◽  
Absolute Deviation ◽  
Hybrid Functionals ◽  
Scaling Algorithms

We present a family of minimally empirical double-hybrid DFT functionals parametrized against the very large and diverse GMTKN55 benchmark. The very recently proposed wB97M(2) empirical double hybrid (with 16 empirical parameters) has the lowest WTMAD2 (weighted mean absolute deviation over GMTKN55) ever reported at 2.19 kcal/mol. However, our xrevDSD-PBEP86-D4 functional reaches a statistically equivalent WTMAD2=2.22 kcal/mol, using just a handful of empirical parameters, and the xrevDOD-PBEP86-D4 functional reaches 2.25 kcal/mol with just opposite-spin MP2 correlation, making it amenable to reduced-scaling algorithms. In general, the D4 empirical dispersion correction is clearly superior to D3BJ. If one eschews dispersion corrections of any kind, noDispSD-SCAN offers a viable alternative. Parametrization over the entire GMTKN55 dataset yields substantial improvement over the small training set previously employed in the DSD papers.

scholarly journals Using Benford’s law to assess the quality of COVID-19 register data in Brazil

2020 ◽  
Author(s):  
Lucas Silva ◽  
Dalson Figueiredo Filho
Keyword(s):  
Goodness Of Fit ◽  
Epidemiological Surveillance ◽  
Evidence Based ◽  
Mean Absolute Deviation ◽  
Chi Square ◽  
Absolute Deviation ◽  
Distortion Factor ◽  
Benford Law ◽  
Official Data

Abstract We employ Newcomb–Benford law (NBL) to evaluate the reliability of COVID-19 figures in Brazil. Using official data from February 25 to September 15, we apply a first digit test for a national aggregate dataset of total cases and cumulative deaths. We find strong evidence that Brazilian reports do not conform to the NBL theoretical expectations. These results are robust to different goodness of fit (chi-square, mean absolute deviation and distortion factor) and data sources (John Hopkins University and Our World in Data). Despite the growing appreciation for evidence-based-policymaking, which requires valid and reliable data, we show that the Brazilian epidemiological surveillance system fails to provide trustful data under the NBL assumption on the COVID-19 epidemic.

scholarly journals VAR Portfolio Optimal: Perbandingan Antara Metode Markowitz dan Mean Absolute Deviation

2006 ◽  
Vol 11 (1) ◽  
pp. 37-50
Author(s):  
R. Agus Sartono ◽  
Arie Andika Setiawan
Keyword(s):  
Mean Absolute Deviation ◽  
Absolute Deviation

scholarly journals Portfolio Optimization with a Mean–Absolute Deviation–Entropy Multi-Objective Model

Entropy ◽  
2021 ◽  
Vol 23 (10) ◽  
pp. 1266
Author(s):  
Weng Siew Lam ◽  
Weng Hoe Lam ◽  
Saiful Hafizah Jaaman
Keyword(s):  
Portfolio Optimization ◽  
Performance Ratio ◽  
Programming Approach ◽  
Mean Absolute Deviation ◽  
Diversification Strategy ◽  
Absolute Deviation ◽  
Multi Objective ◽  
Proposed Model ◽  
The Mean ◽  
Naïve Diversification

Investors wish to obtain the best trade-off between the return and risk. In portfolio optimization, the mean-absolute deviation model has been used to achieve the target rate of return and minimize the risk. However, the maximization of entropy is not considered in the mean-absolute deviation model according to past studies. In fact, higher entropy values give higher portfolio diversifications, which can reduce portfolio risk. Therefore, this paper aims to propose a multi-objective optimization model, namely a mean-absolute deviation-entropy model for portfolio optimization by incorporating the maximization of entropy. In addition, the proposed model incorporates the optimal value of each objective function using a goal-programming approach. The objective functions of the proposed model are to maximize the mean return, minimize the absolute deviation and maximize the entropy of the portfolio. The proposed model is illustrated using returns of stocks of the Dow Jones Industrial Average that are listed in the New York Stock Exchange. This study will be of significant impact to investors because the results show that the proposed model outperforms the mean-absolute deviation model and the naive diversification strategy by giving higher a performance ratio. Furthermore, the proposed model generates higher portfolio mean returns than the MAD model and the naive diversification strategy. Investors will be able to generate a well-diversified portfolio in order to minimize unsystematic risk with the proposed model.

scholarly journals Kajian Adaptive Neuro-Fuzzy Inference System (ANFIS) Dalam Memprediksi Penerimaan Mahasiswa Baru Pada Universitas Buana Perjuangan Karawang

2021 ◽  
Vol 6 (1) ◽  
pp. 44-54
Author(s):  
Tatang Rohana Cucu
Keyword(s):  
Error Rate ◽  
Fuzzy Inference ◽  
Percentage Error ◽  
Hybrid Technique ◽  
Mean Absolute Deviation ◽  
Absolute Deviation ◽  
Inference System ◽  
Neuro Fuzzy ◽  
New Students ◽  
The Mean

Abstract - The process of admitting new students is an annual routine activity that occurs in a university. This activity is the starting point of the process of searching for prospective new students who meet the criteria expected by the college. One of the colleges that holds new student admissions every year is Buana Perjuangan University, Karawang. There have been several studies that have been conducted on predictions of new students by other researchers, but the results have not been very satisfying, especially problems with the level of accuracy and error. Research on ANFIS studies to predict new students as a solution to the problem of accuracy. This study uses two ANFIS models, namely Backpropagation and Hybrid techniques. The application of the Adaptive Neuro-Fuzzy Inference System (ANFIS) model in the predictions of new students at Buana Perjuangan University, Karawang was successful. Based on the results of training, the Backpropagation technique has an error rate of 0.0394 and the Hybrid technique has an error rate of 0.0662. Based on the predictive accuracy value that has been done, the Backpropagation technique has an accuracy of 4.8 for the value of Mean Absolute Deviation (MAD) and 0.156364623 for the value of Mean Absolute Percentage Error (MAPE). Meanwhile, based on the Mean Absolute Deviation (MAD) value, the Backpropagation technique has a value of 0.5 and 0.09516671 for the Mean Absolute Percentage Error (MAPE) value. So it can be concluded that the Hybrid technique has a better level of accuracy than the Backpropation technique in predicting the number of new students at the University of Buana Perjuangan Karawang.   Keywords: ANFIS, Backpropagation, Hybrid, Prediction

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