scholarly journals Optimization of direct extrusion process for Nd-Fe-B magnets using active learning assisted by machine learning and Bayesian optimization

2022 ◽  
Vol 209 ◽  
pp. 114341
Author(s):  
G. Lambard ◽  
T.T. Sasaki ◽  
K. Sodeyama ◽  
T. Ohkubo ◽  
K. Hono
Keyword(s):  
Machine Learning ◽  
Active Learning ◽  
Extrusion Process ◽  
Bayesian Optimization ◽  
Direct Extrusion

scholarly journals How to measure uncertainty in uncertainty sampling for active learning

2021 ◽  
Author(s):  
Vu-Linh Nguyen ◽  
Mohammad Hossein Shaker ◽  
Eyke Hüllermeier
Keyword(s):  
Machine Learning ◽  
Active Learning ◽  
Sampling Strategies ◽  
Total Uncertainty ◽  
Uncertainty Sampling ◽  
Different Types ◽  
Alternative Approaches ◽  
Active Learner ◽  
Probabilistic Nature ◽  
Different Sources

AbstractVarious strategies for active learning have been proposed in the machine learning literature. In uncertainty sampling, which is among the most popular approaches, the active learner sequentially queries the label of those instances for which its current prediction is maximally uncertain. The predictions as well as the measures used to quantify the degree of uncertainty, such as entropy, are traditionally of a probabilistic nature. Yet, alternative approaches to capturing uncertainty in machine learning, alongside with corresponding uncertainty measures, have been proposed in recent years. In particular, some of these measures seek to distinguish different sources and to separate different types of uncertainty, such as the reducible (epistemic) and the irreducible (aleatoric) part of the total uncertainty in a prediction. The goal of this paper is to elaborate on the usefulness of such measures for uncertainty sampling, and to compare their performance in active learning. To this end, we instantiate uncertainty sampling with different measures, analyze the properties of the sampling strategies thus obtained, and compare them in an experimental study.

scholarly journals An Integrated Approach of Mechanistic-Modeling and Machine-Learning for Thickness Optimization of Frozen Microwaveable Foods

Foods ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 763
Author(s):  
Ran Yang ◽  
Zhenbo Wang ◽  
Jiajia Chen
Keyword(s):  
Machine Learning ◽  
Learning Algorithm ◽  
Food Product ◽  
Integrated Approach ◽  
Mechanistic Modeling ◽  
Bayesian Optimization ◽  
Initial Training ◽  
Thickness Optimization ◽  
Heating Uniformity ◽  
Food Design

Mechanistic-modeling has been a useful tool to help food scientists in understanding complicated microwave-food interactions, but it cannot be directly used by the food developers for food design due to its resource-intensive characteristic. This study developed and validated an integrated approach that coupled mechanistic-modeling and machine-learning to achieve efficient food product design (thickness optimization) with better heating uniformity. The mechanistic-modeling that incorporated electromagnetics and heat transfer was previously developed and validated extensively and was used directly in this study. A Bayesian optimization machine-learning algorithm was developed and integrated with the mechanistic-modeling. The integrated approach was validated by comparing the optimization performance with a parametric sweep approach, which is solely based on mechanistic-modeling. The results showed that the integrated approach had the capability and robustness to optimize the thickness of different-shape products using different initial training datasets with higher efficiency (45.9% to 62.1% improvement) than the parametric sweep approach. Three rectangular-shape trays with one optimized thickness (1.56 cm) and two non-optimized thicknesses (1.20 and 2.00 cm) were 3-D printed and used in microwave heating experiments, which confirmed the feasibility of the integrated approach in thickness optimization. The integrated approach can be further developed and extended as a platform to efficiently design complicated microwavable foods with multiple-parameter optimization.

scholarly journals New Hybrid Approach for Developing Automated Machine Learning Workflows: A Real Case Application in Evaluation of Marcellus Shale Gas Production

Fuels ◽  
2021 ◽  
Vol 2 (3) ◽  
pp. 286-303
Author(s):  
Vuong Van Pham ◽  
Ebrahim Fathi ◽  
Fatemeh Belyadi
Keyword(s):  
Artificial Intelligence ◽  
Machine Learning ◽  
Shale Gas ◽  
Field Data ◽  
Marcellus Shale ◽  
Hybrid Approach ◽  
Gas Production ◽  
Bayesian Optimization ◽  
Real Field ◽  
Engineering Problems

The success of machine learning (ML) techniques implemented in different industries heavily rely on operator expertise and domain knowledge, which is used in manually choosing an algorithm and setting up the specific algorithm parameters for a problem. Due to the manual nature of model selection and parameter tuning, it is impossible to quantify or evaluate the quality of this manual process, which in turn limits the ability to perform comparison studies between different algorithms. In this study, we propose a new hybrid approach for developing machine learning workflows to help automated algorithm selection and hyperparameter optimization. The proposed approach provides a robust, reproducible, and unbiased workflow that can be quantified and validated using different scoring metrics. We have used the most common workflows implemented in the application of artificial intelligence (AI) and ML in engineering problems including grid/random search, Bayesian search and optimization, genetic programming, and compared that with our new hybrid approach that includes the integration of Tree-based Pipeline Optimization Tool (TPOT) and Bayesian optimization. The performance of each workflow is quantified using different scoring metrics such as Pearson correlation (i.e., R2 correlation) and Mean Square Error (i.e., MSE). For this purpose, actual field data obtained from 1567 gas wells in Marcellus Shale, with 121 features from reservoir, drilling, completion, stimulation, and operation is tested using different proposed workflows. A proposed new hybrid workflow is then used to evaluate the type well used for evaluation of Marcellus shale gas production. In conclusion, our automated hybrid approach showed significant improvement in comparison to other proposed workflows using both scoring matrices. The new hybrid approach provides a practical tool that supports the automated model and hyperparameter selection, which is tested using real field data that can be implemented in solving different engineering problems using artificial intelligence and machine learning. The new hybrid model is tested in a real field and compared with conventional type wells developed by field engineers. It is found that the type well of the field is very close to P50 predictions of the field, which shows great success in the completion design of the field performed by field engineers. It also shows that the field average production could have been improved by 8% if shorter cluster spacing and higher proppant loading per cluster were used during the frac jobs.

scholarly journals Two-step machine learning enables optimized nanoparticle synthesis

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Flore Mekki-Berrada ◽  
Zekun Ren ◽  
Tan Huang ◽  
Wai Kuan Wong ◽  
Fang Zheng ◽  
...  
Keyword(s):  
Machine Learning ◽  
Optical Properties ◽  
Materials Science ◽  
Nanoparticle Synthesis ◽  
Bayesian Optimization ◽  
Absorbance Spectrum ◽  
Nanomaterial Synthesis ◽  
Target Spectrum ◽  
Colour Palette ◽  
Algorithmic Framework

AbstractIn materials science, the discovery of recipes that yield nanomaterials with defined optical properties is costly and time-consuming. In this study, we present a two-step framework for a machine learning-driven high-throughput microfluidic platform to rapidly produce silver nanoparticles with the desired absorbance spectrum. Combining a Gaussian process-based Bayesian optimization (BO) with a deep neural network (DNN), the algorithmic framework is able to converge towards the target spectrum after sampling 120 conditions. Once the dataset is large enough to train the DNN with sufficient accuracy in the region of the target spectrum, the DNN is used to predict the colour palette accessible with the reaction synthesis. While remaining interpretable by humans, the proposed framework efficiently optimizes the nanomaterial synthesis and can extract fundamental knowledge of the relationship between chemical composition and optical properties, such as the role of each reactant on the shape and amplitude of the absorbance spectrum.

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...

An Automated Machine Learning-Genetic Algorithm Framework With Active Learning for Design Optimization

2021 ◽  
Vol 143 (8) ◽  
Author(s):  
Opeoluwa Owoyele ◽  
Pinaki Pal ◽  
Alvaro Vidal Torreira
Keyword(s):  
Machine Learning ◽  
Active Learning ◽  
Design Optimization ◽  
Fuel Injection ◽  
A Priori ◽  
Computational Cost ◽  
Learning Approach ◽  
Data Generation ◽  
Compression Ignition Engine ◽  
Hyperparameter Selection

AbstractThe use of machine learning (ML)-based surrogate models is a promising technique to significantly accelerate simulation-driven design optimization of internal combustion (IC) engines, due to the high computational cost of running computational fluid dynamics (CFD) simulations. However, training the ML models requires hyperparameter selection, which is often done using trial-and-error and domain expertise. Another challenge is that the data required to train these models are often unknown a priori. In this work, we present an automated hyperparameter selection technique coupled with an active learning approach to address these challenges. The technique presented in this study involves the use of a Bayesian approach to optimize the hyperparameters of the base learners that make up a super learner model. In addition to performing hyperparameter optimization (HPO), an active learning approach is employed, where the process of data generation using simulations, ML training, and surrogate optimization is performed repeatedly to refine the solution in the vicinity of the predicted optimum. The proposed approach is applied to the optimization of a compression ignition engine with control parameters relating to fuel injection, in-cylinder flow, and thermodynamic conditions. It is demonstrated that by automatically selecting the best values of the hyperparameters, a 1.6% improvement in merit value is obtained, compared to an improvement of 1.0% with default hyperparameters. Overall, the framework introduced in this study reduces the need for technical expertise in training ML models for optimization while also reducing the number of simulations needed for performing surrogate-based design optimization.

Efficiency of Fast Approximation Analysis by Simulation and Machine Learning Using Active Learning

2021 ◽  
Vol 2021 (0) ◽  
pp. 606
Author(s):  
Ryushi MINETA ◽  
Yoshiharu IWATA ◽  
Hidefumi WAKAMATU ◽  
Yuya MATSUMOTO ◽  
Toshiki KAWAMURA
Keyword(s):  
Machine Learning ◽  
Active Learning ◽  
Approximation Analysis

Headnote Prediction Using Machine Learning

2021 ◽  
Vol 18 (5) ◽  
Author(s):  
Sarmad Mahar ◽  
Sahar Zafar ◽  
Kamran Nishat
Keyword(s):  
Machine Learning ◽  
Feature Extraction ◽  
Active Learning ◽  
Text Classification ◽  
Extraction Methods ◽  
Text Summarization ◽  
Training Data ◽  
Second Step ◽  
Support Vector ◽  
Classification Algorithms

Headnotes are the precise explanation and summary of legal points in an issued judgment. Law journals hire experienced lawyers to write these headnotes. These headnotes help the reader quickly determine the issue discussed in the case. Headnotes comprise two parts. The first part comprises the topic discussed in the judgment, and the second part contains a summary of that judgment. In this thesis, we design, develop and evaluate headnote prediction using machine learning, without involving human involvement. We divided this task into a two steps process. In the first step, we predict law points used in the judgment by using text classification algorithms. The second step generates a summary of the judgment using text summarization techniques. To achieve this task, we created a Databank by extracting data from different law sources in Pakistan. We labelled training data generated based on Pakistan law websites. We tested different feature extraction methods on judiciary data to improve our system. Using these feature extraction methods, we developed a dictionary of terminology for ease of reference and utility. Our approach achieves 65% accuracy by using Linear Support Vector Classification with tri-gram and without stemmer. Using active learning our system can continuously improve the accuracy with the increased labelled examples provided by the users of the system.

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