Composition driven machine learning for unearthing high-strength lightweight multi-principal element alloys

Composition optimization of cobalt-free Fe-Cr-Ni-Al/Ti multi-principal element alloys for strength-ductility trade-off based on machine learning

Located around the center of multicomponent phase space, multi-principal element alloys (MPEAs) are often characterized with a unique blend of contrasting physico-chemical properties, and have a good prospective of presenting hardness-ductility synergy. A datasets of MPEAs fabricated by casting, wrought, sintering, annealing procedures, was collected and the mean values for hardness and elongation was determined as 495.3 HV and 22.16 % respectively. After screening and processing the datasets with the help of feature selection by tools such as Pearson’s correlation coefficient, multicollinearity analysis and principal component analysis, artificial neural networks (ANNs) were subsequently trained in this study. An ensemble of these networks known as AlloyManufacturingNet was then purposed as the prediction toolkit for the inverse alloy design in applications including metamorphic manufacturing. During the in-silico design of external elements doped ZrHfNb and VNbTa alloys for maximum hardness, the model has estimated that Cr0.4W0.5(ZrHfNb)0.1 and Cr0.5W0.3(VNbTa)0.2, both fabricated by sintering method, show hardness values of 684.49 and 733.42 HV respectively. While Ti0.7(ZrHfNb)0.3 prepared via annealing procedure shows the largest elongation of 43.52 % in the category of ZrHfNb-derived alloys, Mo0.1Ti0.8(VNbTa)0.1 processed through the wrought process is estimated to have a maximum elongation of 34.36 % in the group of VNbTa-derived alloys. For establishment of the hardness-ductility synergy as required in structural applications, the composition spaces for given manufacturing routes have been searched with the machine learning model. In general, the MPEAs derived from base VNbTa alloy tend to perform better in context of possessing composition values having both the hardness and ductility above the aforementioned mean values. The machine learning based estimation was done in another MPEA, namely, CoCrNiNbx alloy to quantify the change in hardness with the change in Nb content, and the mechanistic insights were obtained via molecular dynamics simulations.

The aging and multimorbid population and health personnel shortages pose a substantial burden on primary health care. While predictive machine learning (ML) algorithms have the potential to address these challenges, concerns include transparency and insufficient reporting of model validation and effectiveness of the implementation in the clinical workflow. To systematically identify predictive ML algorithms implemented in primary care from peer-reviewed literature and US Food and Drug Administration (FDA) and Conformité Européene (CE) registration databases and to ascertain the public availability of evidence, including peer-reviewed literature, gray literature, and technical reports across the artificial intelligence (AI) life cycle. PubMed, Embase, Web of Science, Cochrane Library, Emcare, Academic Search Premier, IEEE Xplore, ACM Digital Library, MathSciNet, AAAI.org (Association for the Advancement of Artificial Intelligence), arXiv, Epistemonikos, PsycINFO, and Google Scholar were searched for studies published between January 2000 and July 2023, with search terms that were related to AI, primary care, and implementation. The search extended to CE-marked or FDA-approved predictive ML algorithms obtained from relevant registration databases. Three reviewers gathered subsequent evidence involving strategies such as product searches, exploration of references, manufacturer website visits, and direct inquiries to authors and product owners. The extent to which the evidence for each predictive ML algorithm aligned with the Dutch AI predictive algorithm (AIPA) guideline requirements was assessed per AI life cycle phase, producing evidence availability scores. The systematic search identified 43 predictive ML algorithms, of which 25 were commercially available and CE-marked or FDA-approved. The predictive ML algorithms spanned multiple clinical domains, but most (27 [63%]) focused on cardiovascular diseases and diabetes. Most (35 [81%]) were published within the past 5 years. The availability of evidence varied across different phases of the predictive ML algorithm life cycle, with evidence being reported the least for phase 1 (preparation) and phase 5 (impact assessment) (19% and 30%, respectively). Twelve (28%) predictive ML algorithms achieved approximately half of their maximum individual evidence availability score. Overall, predictive ML algorithms from peer-reviewed literature showed higher evidence availability compared with those from FDA-approved or CE-marked databases (45% vs 29%). The findings indicate an urgent need to improve the availability of evidence regarding the predictive ML algorithms' quality criteria. Adopting the Dutch AIPA guideline could facilitate transparent and consistent reporting of the quality criteria that could foster trust among end users and facilitating large-scale implementation.

The application of machine-learning and Raman spectroscopy for the rapid detection of edible oils type and adulteration

The purpose of this analysis is to assess the use of machine learning (ML) algorithms in the prediction of postoperative outcomes, including complications, recurrence, and death in transsphenoidal surgery. Following Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines, we systematically reviewed all papers that used at least one ML algorithm to predict outcomes after transsphenoidal surgery. We searched Scopus, PubMed, and Web of Science databases for studies published prior to May 12, 2021. We identified 13 studies enrolling 5,048 patients. We extracted the general characteristics of each study; the sensitivity, specificity, area under the curve (AUC) of the ML models developed as well as the features identified as important by the ML models. We identified 12 studies with 5,048 patients that included ML algorithms for adenomas, three with 1807 patients specifically for acromegaly, and five with 2105 patients specifically for Cushing's disease. Nearly all were single-institution studies. The studies used a heterogeneous mix of ML algorithms and features to build predictive models. All papers reported an AUC greater than 0.7, which indicates clinical utility. ML algorithms have the potential to predict postoperative outcomes of transsphenoidal surgery and can improve patient care. Ensemble algorithms and neural networks were often top performers when compared with other ML algorithms. Biochemical and preoperative features were most likely to be selected as important by ML models. Inexplicability remains a challenge, but algorithms such as local interpretable model–agnostic explanation or Shapley value can increase explainability of ML algorithms. Our analysis shows that ML algorithms have the potential to greatly assist surgeons in clinical decision making.

Predicting intraurban PM2.5 concentrations using enhanced machine learning approaches and incorporating human activity patterns

The accurate estimation of aboveground biomass (AGB) in rubber plantations is essential for predicting rubber production and assessing carbon storage. Multispectral sensors mounted on unmanned aerial vehicles (UAVs) can obtain high spatiotemporal resolution imagery of rubber plantations, offering significant advantages in capturing fine structural details and heterogeneity. However, most previous studies primarily focused on developing biomass estimation models for rubber using machine learning (ML) algorithms in conjunction with feature selection methods based on UAV-acquired multispectral imagery. The reliance on feature selection methods limits the model’s generalizability, robustness, and predictive accuracy. In contrast, deep learning (DL) exhibits considerable promise in extracting features from high-resolution UAV-based multispectral imagery without the need for manual selection. Nonetheless, it remains unclear whether DL can surpass traditional ML methods in improving the AGB estimation accuracy in rubber plantations. To address this, our study evaluated the performance of three ML algorithms (random forest regression, RFR; XGBoost regression, XGBR; categorical boosting regression, CatBoost) combined with feature selection techniques and a deep convolutional neural network (DCNN) using multispectral imagery obtained from UAV for the AGB estimation of rubber plantations. The results indicate that the RFR combined with a principal component analysis (PCA) for feature selection yielded the best performance (R2 = 0.81, RMSE = 11.63 t/ha, MAE = 9.27 t/ha) between the three ML algorithms. Meanwhile, the DCNN model derived from the G, R, and NIR spectral bands achieved the highest estimation accuracy (R2 = 0.89, RMSE = 6.44 t/ha, MAE = 5.72 t/ha), where it outperformed the other ML methods. Our study highlights the great potential of combining UAV-based multispectral imagery with DL techniques to improve AGB estimation in rubber plantations, offering a new perspective for estimating the physiological and biochemical growth parameters of forests.

BackgroundDespite the interest in machine learning (ML) algorithms for analyzing real-world data (RWD) in healthcare, the use of ML in predicting time-to-event data, a common scenario in clinical practice, is less explored. ML models are capable of algorithmically learning from large, complex datasets and can offer advantages in predicting time-to-event data. We reviewed the recent applications of ML for survival analysis using RWD in healthcare.MethodsPUBMED and EMBASE were searched from database inception through March 2023 to identify peer-reviewed English-language studies of ML models for predicting time-to-event outcomes using the RWD. Two reviewers extracted information on the data source, patient population, survival outcome, ML algorithms, and the Area Under the Curve (AUC).ResultsOf 257 citations, 28 publications were included. Random survival forests (N = 16, 57%) and neural networks (N = 11, 39%) were the most popular ML algorithms. There was variability across AUC for these ML models (median 0.789, range 0.6–0.950). ML algorithms were predominately considered for predicting overall survival in oncology (N = 12, 43%). ML survival models were often used to predict disease prognosis or clinical events (N = 27, 96%) in the oncology, while less were used for treatment outcomes (N = 1, 4%).ConclusionsThe ML algorithms, random survival forests and neural networks, are mainly used for RWD to predict survival outcomes such as disease prognosis or clinical events in the oncology. This review shows that more opportunities remain to apply these ML algorithms to inform treatment decision-making in clinical practice. More methodological work is also needed to ensure the utility and applicability of ML models in survival outcomes.

6 - Machine learning and deep learning algorithms for fault diagnosis of photovoltaic systems

The integration of machine learning (ML) algorithms into audit processes represents a significant advancement in the field of auditing, offering substantial benefits in terms of efficiency, accuracy, and risk management. This review examines the transformative potential of ML in auditing, highlighting its key benefits and the challenges that must be addressed to fully leverage its capabilities. Machine learning algorithms, with their ability to analyze large datasets and identify patterns, enhance the accuracy and thoroughness of audits. Traditional auditing methods often rely on sampling and manual checks, which can miss anomalies and fraudulent activities. In contrast, ML algorithms can process entire datasets, uncovering subtle patterns and irregularities that may indicate fraud or errors. This comprehensive analysis reduces the risk of oversight and improves the reliability of audit findings. One of the primary benefits of ML in auditing is its capacity for anomaly detection. ML models can be trained on historical data to understand normal financial behavior and flag deviations that might signify irregularities. This ability to detect anomalies in real-time enables auditors to identify potential issues promptly, reducing the time lag between occurrence and detection of fraud. Predictive analytics, powered by ML, further enhances audit processes by forecasting future risks based on historical data. This proactive approach allows auditors to anticipate and mitigate risks before they materialize, contributing to more robust risk management strategies. Despite these advantages, integrating ML into audit processes presents several challenges. Ensuring data quality and integrity is crucial, as ML algorithms are only as good as the data they analyze. Poor-quality data can lead to inaccurate predictions and conclusions. Additionally, the "black box" nature of some ML algorithms can pose transparency issues, making it difficult for auditors to explain how specific conclusions were reached, which is critical for stakeholder trust and regulatory compliance. Another significant challenge is the potential for algorithmic bias. ML models can inadvertently perpetuate existing biases in the data, leading to unfair or skewed audit outcomes. Continuous monitoring and validation of ML algorithms are necessary to detect and mitigate such biases. In conclusion, while integrating machine learning algorithms into audit processes offers substantial benefits in terms of accuracy, efficiency, and risk management, it also necessitates careful attention to data quality, transparency, and bias mitigation. Addressing these challenges is essential to fully realize the potential of ML in enhancing audit practices. Keywords: Benefits, Challenges, Audit Processes, Algorithms, ML.

Abstract. Snow avalanches are among destructive hazards occurring in mountainous regions and spatial distribution (susceptibility) of their occurrences needs to be considered for spatial planning and disaster risk mitigation efforts. The susceptibility assessment is the first step in avalanche disaster management and can be carried out using high resolution geospatial data and machine learning (ML) algorithms. In this study, we have assessed the snow avalanche susceptibility in Davos, Switzerland using an inventory delineated on satellite imagery in a previous study. The conditioning factors used for the avalanche susceptibility assessment include elevation, slope, plan curvature, profile curvature, aspect, topographic position index, topographic ruggedness index, topographic wetness index, land use and land cover, lithology, distance to road, and distance to the river. Two ML algorithms, the logistic regression (LR) and the random forest (RF), were comparatively assessed using validation data split from the training data (30/70). The prediction performances of both models were assessed based on the area under the receiver operating characteristic curve (ROC-AUC) value. Although the AUC value obtained from the LR method was relatively low (0.74), the value obtained from the RF (0.96) demonstrated high performance and usability of this approach. The results indicate that the RF method can successfully produce an avalanche susceptibility map for the region, although potential improvements may be possible by investigating various input features and ML algorithms as well as by classifying the starting and runout zones of the avalanche data separately. Furthermore, the accuracy is expected to increase by using a larger training dataset.

This study presents a comparative analysis of the classification performance of facial and emotion recognition systems using Machine Learning (ML) and Deep Learning (DL) algorithms. The primary objective of this work is to evaluate the applicability of emotion recognition in fields such as psychotherapy and crime analysis, using the FER-2013 dataset.The study was conducted with ML algorithms such as Support Vector Machines (SVM), Random Forest (RF), K-Nearest Neighbor (KNN), Decision Trees, and Gradient Boosting, as well as the DL algorithm, Convolutional Neural Network (CNN). Supported by the application of feature selection, preprocessing, and feature extraction techniques, the model’s performance was measured using standard metrics such as accuracy, precision, F1-score, and AUC-ROC.The experimental results showed that the highest classification accuracy (46.61%) was achieved with the CNN model. While the ML models generally offered lower accuracy, they provided advantages in terms of computational efficiency in specific scenarios.This study aims to contribute to the literature by providing a comparative analysis of ML and DL algorithms and by highlighting the effect of data preprocessing on performance. The findings set targets for future work, such as real-time system integration and hybrid model development.

Methane flux (FCH4 ) measurements using the eddy covariance technique have increased over the past decade. FCH4 measurements commonly include data gaps, as is the case with CO2 and energy fluxes. However, gap-filling FCH4 data are more challenging than other fluxes due to its unique characteristics including multidriver dependency, variabilities across multiple timescales, nonstationarity, spatial heterogeneity of flux footprints, and lagged influence of biophysical drivers. Some researchers have applied a marginal distribution sampling (MDS) algorithm, a standard gap-filling method for other fluxes, to FCH4 datasets, and others have applied artificial neural networks (ANN) to resolve the challenging characteristics of FCH4 . However, there is still no consensus regarding FCH4 gap-filling methods due to limited comparative research. We are not aware of the applications of machine learning (ML) algorithms beyond ANN to FCH4 datasets. Here, we compare the performance of MDS and three ML algorithms (ANN, random forest [RF], and support vector machine [SVM]) using multiple combinations of ancillary variables. In addition, we applied principal component analysis (PCA) as an input to the algorithms to address multidriver dependency of FCH4 and reduce the internal complexity of the algorithmic structures. We applied this approach to five benchmark FCH4 datasets from both natural and managed systems located in temperate and tropical wetlands and rice paddies. Results indicate that PCA improved the performance of MDS compared to traditional inputs. ML algorithms performed better when using all available biophysical variables compared to using PCA-derived inputs. Overall, RF was found to outperform other techniques for all sites. We found gap-filling uncertainty is much larger than measurement uncertainty in accumulated CH4 budget. Therefore, the approach used for FCH4 gap filling can have important implications for characterizing annual ecosystem-scale methane budgets, the accuracy of which is important for evaluating natural and managed systems and their interactions with global change processes.

Feature extraction-reduction and machine learning for fault diagnosis in PV panels

In this work, we present a machine learning (ML) model for predicting the compressive yield strength of multi-principal element alloys (MPEAs). The model uses physical and thermodynamic alloy descriptors that capture various aspects of the alloying process such as lattice distortion, chemical interaction and intermetallic formation, and was used to explore yield strength variations in a variety of pseudo-ternary alloy systems viz. Zr x -(NbTa) y -(MoW) 1− x − y , W x -Ti y -(HfNbTaZr) 1− x − y and (MoNb) x -(AlCr) y -(FeNi) 1− x − y wherein it was validated along continuous composition pathways through comparison with experimentally observed yield strength values. The Compositional-Stimulus and Model-Response framework was used to decode the decision-making process of the ML model for obtaining alloy specific insights. Further, the model predictions were compared with hardness and phase predictions from other pre-trained ML models to establish consistency between different ML models. The model enables high-throughput screening for targeted yield strength and identifies key features for capturing yield strength variations in MPEAs. Graphical abstract