This review explores the application of Long Short-Term Memory (LSTM) networks, a specialized type of recurrent neural network (RNN), in the field of polymeric sciences. LSTM networks have shown notable effectiveness in modeling sequential data and predicting time-series outcomes, which are essential for understanding complex molecular structures and dynamic processes in polymers. This review delves into the use of LSTM models for predicting polymer properties, monitoring polymerization processes, and evaluating the degradation and mechanical performance of polymers. Additionally, it addresses the challenges related to data availability and interpretability. Through various case studies and comparative analyses, the review demonstrates the effectiveness of LSTM networks in different polymer science applications. Future directions are also discussed, with an emphasis on real-time applications and the need for interdisciplinary collaboration. The goal of this review is to connect advanced machine learning (ML) techniques with polymer science, thereby promoting innovation and improving predictive capabilities in the field.
The increasing complexity of polymer systems in both experimental and computational studies has led to an expanding interest in machine learning (ML) methods to aid in data analysis, material design, and predictive modeling. Among the various ML approaches, boosting methods, including AdaBoost, Gradient Boosting, XGBoost, CatBoost and LightGBM, have emerged as powerful tools for tackling high-dimensional and complex problems in polymer science. This paper provides an overview of the applications of boosting methods in polymer science, highlighting their contributions to areas such as structure–property relationships, polymer synthesis, performance prediction, and material characterization. By examining recent case studies on the applications of boosting techniques in polymer science, this review aims to highlight their potential for advancing the design, characterization, and optimization of polymer materials.
This article investigates the utility of machine learning (ML) methods for predicting and analyzing the diverse physical characteristics of polymers. Leveraging a rich dataset of polymers’ characteristics, the study encompasses an extensive range of polymer properties, spanning compressive and tensile strength to thermal and electrical behaviors. Using various regression methods like Ensemble, Tree-based, Regularization, and Distance-based, the research undergoes thorough evaluation using the most common quality metrics. As a result of a series of experimental studies on the selection of effective model parameters, those that provide a high-quality solution to the stated problem were found. The best results were achieved by Random Forest with the highest scores of 0.71, 0.73, and 0.88 for glass transition, thermal decomposition, and melting temperatures, respectively. The outcomes are intricately compared, providing valuable insights into the efficiency of distinct ML approaches in predicting polymer properties. Unknown values for each characteristic were predicted, and a method validation was performed by training on the predicted values, comparing the results with the specified variance values of each characteristic. The research not only advances our comprehension of polymer physics but also contributes to informed model selection and optimization for materials science applications.
Optimizing agricultural productivity and promoting sustainability necessitates accurate predictions of crop yields to ensure food security. Various agricultural and climatic variables are included in the analysis, encompassing crop type, year, season, and the specific climatic conditions of the Indian state during the crop’s growing season. Features such as crop and season were one-hot encoded. The primary objective was to predict yield using a deep neural network (DNN), with hyperparameters optimized through genetic algorithms (GAs) to maximize the R2 score. The best-performing model, achieved by fine-tuning its hyperparameters, achieved an R2 of 0.92, meaning it explains 92% of the variation in crop yields, indicating high predictive accuracy. The optimized DNN models were further analyzed using explainable AI (XAI) techniques, specifically local interpretable model-agnostic explanations (LIME), to elucidate feature importance and enhance model interpretability. The analysis underscored the significant role of features such as crops, leading to the incorporation of an additional dataset to classify the most optimal crops based on more detailed soil and climate data. This classification task was also executed using a GA-optimized DNN, aiming to maximize accuracy. The results demonstrate the effectiveness of this approach in predicting crop yields and classifying optimal crops.
The integration of machine learning (ML) into material manufacturing has driven advancements in optimizing biopolymer production processes. ML techniques, applied across various stages of biopolymer production, enable the analysis of complex data generated throughout production, identifying patterns and insights not easily observed through traditional methods. As sustainable alternatives to petrochemical-based plastics, biopolymers present unique challenges due to their reliance on variable bio-based feedstocks and complex processing conditions. This review systematically summarizes the current applications of ML techniques in biopolymer production, aiming to provide a comprehensive reference for future research while highlighting the potential of ML to enhance efficiency, reduce costs, and improve product quality. This review also shows the role of ML algorithms, including supervised, unsupervised, and deep learning algorithms, in optimizing biopolymer manufacturing processes.
Polymer science, a discipline focusing on the synthesis, characterization, and application of macromolecules, has increasingly benefited from the adoption of machine learning (ML) techniques. Among these, Support Vector Machines (SVMs) stand out for their ability to handle nonlinear relationships and high-dimensional datasets, which are common in polymer research. This review explores the diverse applications of SVM in polymer science. Key examples include the prediction of mechanical and thermal properties, optimization of polymerization processes, and modeling of degradation mechanisms. The advantages of SVM are contrasted with its challenges, including computational cost, data dependency, and the need for hyperparameter tuning. Future opportunities, such as the development of polymer-specific kernels and integration with real-time manufacturing systems, are also discussed.