scholarly journals Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

2018 ◽  
Vol 148 (23) ◽  
pp. 234106 ◽  
Author(s):  
Akira Takahashi ◽  
Atsuto Seko ◽  
Isao Tanaka
Keyword(s):  
Machine Learning ◽  
Predictive Power ◽  
Interatomic Potentials

scholarly journals Prediction and Analysis of the Severity and Number of Suburban Accidents Using Logit Model, Factor Analysis and Machine Learning: A case study in a developing country

2021 ◽  
Vol 3 (1) ◽  
Author(s):  
Meisam Ghasedi ◽  
Maryam Sarfjoo ◽  
Iraj Bargegol
Keyword(s):  
Machine Learning ◽  
Factor Analysis ◽  
Logit Model ◽  
Predictive Power ◽  
Dominant Role ◽  
Learning Approaches ◽  
Lighting Condition ◽  
Rainy Weather ◽  
Pedestrian Accidents ◽  
Effective Principal

AbstractThe purpose of this study is to investigate and determine the factors affecting vehicle and pedestrian accidents taking place in the busiest suburban highway of Guilan Province located in the north of Iran and provide the most accurate prediction model. Therefore, the effective principal variables and the probability of occurrence of each category of crashes are analyzed and computed utilizing the factor analysis, logit, and Machine Learning approaches simultaneously. This method not only could contribute to achieving the most comprehensive and efficient model to specify the major contributing factor, but also it can provide officials with suggestions to take effective measures with higher precision to lessen accident impacts and improve road safety. Both the factor analysis and logit model show the significant roles of exceeding lawful speed, rainy weather and driver age (30–50) variables in the severity of vehicle accidents. On the other hand, the rainy weather and lighting condition variables as the most contributing factors in pedestrian accidents severity, underline the dominant role of environmental factors in the severity of all vehicle-pedestrian accidents. Moreover, considering both utilized methods, the machine-learning model has higher predictive power in all cases, especially in pedestrian accidents, with 41.6% increase in the predictive power of fatal accidents and 12.4% in whole accidents. Thus, the Artificial Neural Network model is chosen as the superior approach in predicting the number and severity of crashes. Besides, the good performance and validation of the machine learning is proved through performance and sensitivity analysis.

Application of machine learning-based models to boost the predictive power of the SPAN index

2021 ◽  
pp. 1-11
Author(s):  
Chen-Chih Chung ◽  
Oluwaseun Adebayo Bamodu ◽  
Chien-Tai Hong ◽  
Lung Chan ◽  
Hung-Wen Chiu
Keyword(s):  
Machine Learning ◽  
Predictive Power

scholarly journals A transferable active-learning strategy for reactive molecular force fields

2021 ◽  
Author(s):  
Tom Young ◽  
Tristan Johnston-Wood ◽  
Volker L. Deringer ◽  
Fernanda Duarte
Keyword(s):  
Machine Learning ◽  
Active Learning ◽  
Learning Strategy ◽  
Force Fields ◽  
Molecular Simulations ◽  
Quantum Mechanical ◽  
Interatomic Potentials ◽  
Molecular Force ◽  
High Level ◽  
Active Learning Strategy

Predictive molecular simulations require fast, accurate and reactive interatomic potentials. Machine learning offers a promising approach to construct such potentials by fitting energies and forces to high-level quantum-mechanical data, but...

scholarly journals Predicting Increased Blood Pressure Using Machine Learning

2014 ◽  
Vol 2014 ◽  
pp. 1-12 ◽  
Author(s):  
Hudson Fernandes Golino ◽  
Liliany Souza de Brito Amaral ◽  
Stenio Fernando Pimentel Duarte ◽  
Cristiano Mauro Assis Gomes ◽  
Telma de Jesus Soares ◽  
...  
Keyword(s):  
Machine Learning ◽  
Blood Pressure ◽  
Predictive Power ◽  
Classification Tree ◽  
Training Group ◽  
Test Sample ◽  
Hip Circumference ◽  
Training Set ◽  
Learning Technique ◽  
Tree Data

The present study investigates the prediction of increased blood pressure by body mass index (BMI), waist (WC) and hip circumference (HC), and waist hip ratio (WHR) using a machine learning technique named classification tree. Data were collected from 400 college students (56.3% women) from 16 to 63 years old. Fifteen trees were calculated in the training group for each sex, using different numbers and combinations of predictors. The result shows that for women BMI, WC, and WHR are the combination that produces the best prediction, since it has the lowest deviance (87.42), misclassification (.19), and the higher pseudoR2(.43). This model presented a sensitivity of 80.86% and specificity of 81.22% in the training set and, respectively, 45.65% and 65.15% in the test sample. For men BMI, WC, HC, and WHC showed the best prediction with the lowest deviance (57.25), misclassification (.16), and the higher pseudoR2(.46). This model had a sensitivity of 72% and specificity of 86.25% in the training set and, respectively, 58.38% and 69.70% in the test set. Finally, the result from the classification tree analysis was compared with traditional logistic regression, indicating that the former outperformed the latter in terms of predictive power.

scholarly journals Using a Guided Machine Learning Ensemble Model to Predict Discharge Disposition following Meningioma Resection

2017 ◽  
Vol 79 (02) ◽  
pp. 123-130 ◽  
Author(s):  
Whitney Muhlestein ◽  
Dallin Akagi ◽  
Justiss Kallos ◽  
Peter Morone ◽  
Kyle Weaver ◽  
...  
Keyword(s):  
Machine Learning ◽  
Logistic Regression ◽  
Patient Outcomes ◽  
Predictive Power ◽  
Univariate Analysis ◽  
Area Under The Curve ◽  
Motor Deficit ◽  
Ensemble Model ◽  
Algorithm Selection ◽  
Discharge Disposition

Objective Machine learning (ML) algorithms are powerful tools for predicting patient outcomes. This study pilots a novel approach to algorithm selection and model creation using prediction of discharge disposition following meningioma resection as a proof of concept. Materials and Methods A diversity of ML algorithms were trained on a single-institution database of meningioma patients to predict discharge disposition. Algorithms were ranked by predictive power and top performers were combined to create an ensemble model. The final ensemble was internally validated on never-before-seen data to demonstrate generalizability. The predictive power of the ensemble was compared with a logistic regression. Further analyses were performed to identify how important variables impact the ensemble. Results Our ensemble model predicted disposition significantly better than a logistic regression (area under the curve of 0.78 and 0.71, respectively, p = 0.01). Tumor size, presentation at the emergency department, body mass index, convexity location, and preoperative motor deficit most strongly influence the model, though the independent impact of individual variables is nuanced. Conclusion Using a novel ML technique, we built a guided ML ensemble model that predicts discharge destination following meningioma resection with greater predictive power than a logistic regression, and that provides greater clinical insight than a univariate analysis. These techniques can be extended to predict many other patient outcomes of interest.

scholarly journals What Predicts Corruption?

2020 ◽  
Author(s):  
Emanuele Colonnelli ◽  
Jorge Gallego ◽  
Mounu Prem
Keyword(s):  
Machine Learning ◽  
Human Capital ◽  
Cost Effectiveness ◽  
Public Sector ◽  
Financial Development ◽  
Predictive Power ◽  
Public Spending ◽  
Learning Models ◽  
Micro Data ◽  
Machine Learning Models

The ability to predict corruption is crucial to policy. Using rich micro-data from Brazil, we show that multiple machine learning models display high levels of performance in predicting municipality-level corruption in public spending. We then quantify which individual municipality features and groups of similar characteristics have the highest predictive power. We find that measures of private sector activity, financial development, and human capital are the strongest predictors of corruption, while public sector and political features play a secondary role. Our findings have implications for the design and cost-effectiveness of various anti-corruption policies.

scholarly journals Taking materials dynamics to new extremes using machine learning interatomic potentials

2021 ◽  
Author(s):  
Yang Yang ◽  
Long Zhao ◽  
Chen-Xu Han ◽  
Xiang-Dong Ding ◽  
Turab Lookman ◽  
...  
Keyword(s):  
Machine Learning ◽  
Interatomic Potentials

Dual adaptive sampling and machine learning interatomic potentials for modeling materials with chemical bond hierarchy

2021 ◽  
Vol 104 (9) ◽  
Author(s):  
Hongliang Yang ◽  
Yifan Zhu ◽  
Erting Dong ◽  
Yabei Wu ◽  
Jiong Yang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Chemical Bond ◽  
Adaptive Sampling ◽  
Interatomic Potentials

scholarly journals Penalising Unexplainability in Neural Networks for Predicting Payments per Claim Incurred

Risks ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 95 ◽  
Author(s):  
Jacky H. L. Poon
Keyword(s):  
Machine Learning ◽  
Neural Networks ◽  
Life Insurance ◽  
Predictive Power ◽  
Real Life ◽  
Model Framework ◽  
Key Stakeholders ◽  
Machine Learning Model ◽  
Loss Reserving ◽  
Risk Pricing

In actuarial modelling of risk pricing and loss reserving in general insurance, also known as P&C or non-life insurance, there is business value in the predictive power and automation through machine learning. However, interpretability can be critical, especially in explaining to key stakeholders and regulators. We present a granular machine learning model framework to jointly predict loss development and segment risk pricing. Generalising the Payments per Claim Incurred (PPCI) loss reserving method with risk variables and residual neural networks, this combines interpretable linear and sophisticated neural network components so that the ‘unexplainable’ component can be identified and regularised with a separate penalty. The model is tested for a real-life insurance dataset, and generally outperformed PPCI on predicting ultimate loss for sufficient sample size.

Machine Learning Interatomic Potentials for Global Optimization and Molecular Dynamics Simulation

2019 ◽  
pp. 253-288 ◽  
Author(s):  
Ivan A. Kruglov ◽  
Pavel E. Dolgirev ◽  
Artem R. Oganov ◽  
Arslan B. Mazitov ◽  
Sergey N. Pozdnyakov ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Global Optimization ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Interatomic Potentials
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