scholarly journals Machine Learning Enables Accurate Prediction of Asparagine Deamidation Probability and Rate

2019 ◽  
Vol 15 ◽  
pp. 264-274 ◽  
Author(s):  
Jared A. Delmar ◽  
Jihong Wang ◽  
Seo Woo Choi ◽  
Jason A. Martins ◽  
John P. Mikhail
Author(s):  
Jared A. Delmar ◽  
Jihong Wang ◽  
Seo Woo Choi ◽  
Jason A. Martins ◽  
John P. Mikhail

Author(s):  
Kjell Jorner ◽  
Tore Brinck ◽  
Per-Ola Norrby ◽  
David Buttar

Hybrid reactivity models, combining mechanistic calculations and machine learning with descriptors, are used to predict barriers for nucleophilic aromatic substitution.


2018 ◽  
Vol 45 (5) ◽  
pp. 2243-2251 ◽  
Author(s):  
Baozhou Sun ◽  
Dao Lam ◽  
Deshan Yang ◽  
Kevin Grantham ◽  
Tiezhi Zhang ◽  
...  

Author(s):  
Robin Lawler ◽  
Yao-Hao Liu ◽  
Nessa Majaya ◽  
Omar Allam ◽  
Hyunchul Ju ◽  
...  

Materials ◽  
2020 ◽  
Vol 13 (21) ◽  
pp. 4952
Author(s):  
Mahdi S. Alajmi ◽  
Abdullah M. Almeshal

Tool wear negatively impacts the quality of workpieces produced by the drilling process. Accurate prediction of tool wear enables the operator to maintain the machine at the required level of performance. This research presents a novel hybrid machine learning approach for predicting the tool wear in a drilling process. The proposed approach is based on optimizing the extreme gradient boosting algorithm’s hyperparameters by a spiral dynamic optimization algorithm (XGBoost-SDA). Simulations were carried out on copper and cast-iron datasets with a high degree of accuracy. Further comparative analyses were performed with support vector machines (SVM) and multilayer perceptron artificial neural networks (MLP-ANN), where XGBoost-SDA showed superior performance with regard to the method. Simulations revealed that XGBoost-SDA results in the accurate prediction of flank wear in the drilling process with mean absolute error (MAE) = 4.67%, MAE = 5.32%, and coefficient of determination R2 = 0.9973 for the copper workpiece. Similarly, for the cast iron workpiece, XGBoost-SDA resulted in surface roughness predictions with MAE = 5.25%, root mean square error (RMSE) = 6.49%, and R2 = 0.975, which closely agree with the measured values. Performance comparisons between SVM, MLP-ANN, and XGBoost-SDA show that XGBoost-SDA is an effective method that can ensure high predictive accuracy about flank wear values in a drilling process.


Author(s):  
Sudhanshu Akarshe ◽  
Rohit Khade ◽  
Nikhil Bankar ◽  
Prashant Khedkar ◽  
Prashant Ahire

Cricket is most popular sport played in India. It has huge spectator support and the masses show great interest in predicting the outcome of games in their Test, One-day international as well as in T-20 matches. The game is having number of rules and scoring system. Numerous parameters are present such as, cricketing skills and performances, match venues which has significant effect on the outcome of a game. Such parameters, along with their interdependence create a challenge to create an accurate prediction of a game. In this project, we are going to build a rigid prediction system that takes in historical match data, player performance and predicts future match events such as final results in a victory or loss. Our system will perform this prediction using various machine learning algorithms. We describe our system and algorithms and finally present quantitative results displayed by best suited algorithm having highest accuracy. Also, representing the winning team even before the match starts and provide best suited squad of both teams.


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