Significant risk factors for intensive care unit-acquired weakness:A processing strategy based on repeated machine learning

BACKGROUND Intensive care unit-acquired weakness(ICU-AW)is a common complication that significantly impacts the patient's recovery process,even leading to adverse outcomes.Currently,there is a lack of effective preventive measures.AIM To identify significant risk factors for ICU-AW through iterative machine learning techniques and offer recommendations for its prevention and treatment.METHODS Patients were categorized into ICU-AW and non-ICU-AW groups on the 14th day post-ICU admission.Relevant data from the initial 14 d of ICU stay,such as age,comorbidities,sedative dosage,vasopressor dosage,duration of mechanical ventilation,length of ICU stay,and rehabilitation therapy,were gathered.The relationships between these variables and ICU-AW were examined.Utilizing iterative machine learning techniques,a multilayer perceptron neural network model was developed,and its predictive performance for ICU-AW was assessed using the receiver operating characteristic curve.RESULTS Within the ICU-AW group,age,duration of mechanical ventilation,lorazepam dosage,adrenaline dosage,and length of ICU stay were significantly higher than in the non-ICU-AW group.Additionally,sepsis,multiple organ dysfunction syndrome,hypoalbuminemia,acute heart failure,respiratory failure,acute kidney injury,anemia,stress-related gastrointestinal bleeding,shock,hypertension,coronary artery disease,malignant tumors,and rehabilitation therapy ratios were significantly higher in the ICU-AW group,demonstrating statistical significance.The most influential factors contributing to ICU-AW were identified as the length of ICU stay(100.0%)and the duration of mechanical ventilation(54.9%).The neural network model predicted ICU-AW with an area under the curve of 0.941,sensitivity of 92.2%,and specificity of 82.7%.CONCLUSION The main factors influencing ICU-AW are the length of ICU stay and the duration of mechanical ventilation.A primary preventive strategy,when feasible,involves minimizing both ICU stay and mechanical ventilation duration.

A Deep Learning Approach for Forecasting Thunderstorm Gusts in the Beijing–Tianjin–Hebei Region

Thunderstorm gusts are a common form of severe convective weather in the warm season in North China,and it is of great importance to correctly forecast them.At present,the forecasting of thunderstorm gusts is mainly based on traditional subjective methods,which fails to achieve high-resolution and high-frequency gridded forecasts based on multiple observation sources.In this paper,we propose a deep learning method called Thunderstorm Gusts TransU-net(TGTransUnet)to forecast thunderstorm gusts in North China based on multi-source gridded product data from the Institute of Urban Meteorology(IUM)with a lead time of 1 to 6 h.To determine the specific range of thunderstorm gusts,we combine three meteorological variables:radar reflectivity factor,lightning location,and 1-h maximum instantaneous wind speed from automatic weather stations(AWSs),and obtain a reasonable ground truth of thunderstorm gusts.Then,we transform the forecasting problem into an image-to-image problem in deep learning under the TG-TransUnet architecture,which is based on convolutional neural networks and a transformer.The analysis and forecast data of the enriched multi-source gridded comprehensive forecasting system for the period 2021–23 are then used as training,validation,and testing datasets.Finally,the performance of TG-TransUnet is compared with other methods.The results show that TG-TransUnet has the best prediction results at 1–6 h.The IUM is currently using this model to support the forecasting of thunderstorm gusts in North China.

Machine Learning Analysis of Impact of Western US Fires on Central US Hailstorms

Fires,including wildfires,harm air quality and essential public services like transportation,communication,and utilities.These fires can also influence atmospheric conditions,including temperature and aerosols,potentially affecting severe convective storms.Here,we investigate the remote impacts of fires in the western United States(WUS)on the occurrence of large hail(size:≥2.54 cm)in the central US(CUS)over the 20-year period of 2001–20 using the machine learning(ML),Random Forest(RF),and Extreme Gradient Boosting(XGB)methods.The developed RF and XGB models demonstrate high accuracy(>90%)and F1 scores of up to 0.78 in predicting large hail occurrences when WUS fires and CUS hailstorms coincide,particularly in four states(Wyoming,South Dakota,Nebraska,and Kansas).The key contributing variables identified from both ML models include the meteorological variables in the fire region(temperature and moisture),the westerly wind over the plume transport path,and the fire features(i.e.,the maximum fire power and burned area).The results confirm a linkage between WUS fires and severe weather in the CUS,corroborating the findings of our previous modeling study conducted on case simulations with a detailed physics model.

High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic perspectives.The stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly identified.Then,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic model.Several intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic HER.Furthermore,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 eV.This study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.

Automatic detection of small bowel lesions with different bleeding risks based on deep learning models

BACKGROUND Deep learning provides an efficient automatic image recognition method for small bowel(SB)capsule endoscopy(CE)that can assist physicians in diagnosis.However,the existing deep learning models present some unresolved challenges.AIM To propose a novel and effective classification and detection model to automatically identify various SB lesions and their bleeding risks,and label the lesions accurately so as to enhance the diagnostic efficiency of physicians and the ability to identify high-risk bleeding groups.METHODS The proposed model represents a two-stage method that combined image classification with object detection.First,we utilized the improved ResNet-50 classification model to classify endoscopic images into SB lesion images,normal SB mucosa images,and invalid images.Then,the improved YOLO-V5 detection model was utilized to detect the type of lesion and its risk of bleeding,and the location of the lesion was marked.We constructed training and testing sets and compared model-assisted reading with physician reading.RESULTS The accuracy of the model constructed in this study reached 98.96%,which was higher than the accuracy of other systems using only a single module.The sensitivity,specificity,and accuracy of the model-assisted reading detection of all images were 99.17%,99.92%,and 99.86%,which were significantly higher than those of the endoscopists’diagnoses.The image processing time of the model was 48 ms/image,and the image processing time of the physicians was 0.40±0.24 s/image(P<0.001).CONCLUSION The deep learning model of image classification combined with object detection exhibits a satisfactory diagnostic effect on a variety of SB lesions and their bleeding risks in CE images,which enhances the diagnostic efficiency of physicians and improves the ability of physicians to identify high-risk bleeding groups.

Federated Learning Model for Auto Insurance Rate Setting Based on Tweedie Distribution

In the assessment of car insurance claims,the claim rate for car insurance presents a highly skewed probability distribution,which is typically modeled using Tweedie distribution.The traditional approach to obtaining the Tweedie regression model involves training on a centralized dataset,when the data is provided by multiple parties,training a privacy-preserving Tweedie regression model without exchanging raw data becomes a challenge.To address this issue,this study introduces a novel vertical federated learning-based Tweedie regression algorithm for multi-party auto insurance rate setting in data silos.The algorithm can keep sensitive data locally and uses privacy-preserving techniques to achieve intersection operations between the two parties holding the data.After determining which entities are shared,the participants train the model locally using the shared entity data to obtain the local generalized linear model intermediate parameters.The homomorphic encryption algorithms are introduced to interact with and update the model intermediate parameters to collaboratively complete the joint training of the car insurance rate-setting model.Performance tests on two publicly available datasets show that the proposed federated Tweedie regression algorithm can effectively generate Tweedie regression models that leverage the value of data fromboth partieswithout exchanging data.The assessment results of the scheme approach those of the Tweedie regressionmodel learned fromcentralized data,and outperformthe Tweedie regressionmodel learned independently by a single party.

A gated recurrent unit model to predict Poisson’s ratio using deep learning

Static Poisson’s ratio(vs)is crucial for determining geomechanical properties in petroleum applications,namely sand production.Some models have been used to predict vs;however,the published models were limited to specific data ranges with an average absolute percentage relative error(AAPRE)of more than 10%.The published gated recurrent unit(GRU)models do not consider trend analysis to show physical behaviors.In this study,we aim to develop a GRU model using trend analysis and three inputs for predicting n s based on a broad range of data,n s(value of 0.1627-0.4492),bulk formation density(RHOB)(0.315-2.994 g/mL),compressional time(DTc)(44.43-186.9 μs/ft),and shear time(DTs)(72.9-341.2μ s/ft).The GRU model was evaluated using different approaches,including statistical error an-alyses.The GRU model showed the proper trends,and the model data ranges were wider than previous ones.The GRU model has the largest correlation coefficient(R)of 0.967 and the lowest AAPRE,average percent relative error(APRE),root mean square error(RMSE),and standard deviation(SD)of 3.228%,1.054%,4.389,and 0.013,respectively,compared to other models.The GRU model has a high accuracy for the different datasets:training,validation,testing,and the whole datasets with R and AAPRE values were 0.981 and 2.601%,0.966 and 3.274%,0.967 and 3.228%,and 0.977 and 2.861%,respectively.The group error analyses of all inputs show that the GRU model has less than 5% AAPRE for all input ranges,which is superior to other models that have different AAPRE values of more than 10% at various ranges of inputs.

Predicting major adverse cardiovascular events after orthotopic liver transplantation using a supervised machine learning model:A cohort study

BACKGROUND Liver transplant(LT)patients have become older and sicker.The rate of post-LT major adverse cardiovascular events(MACE)has increased,and this in turn raises 30-d post-LT mortality.Noninvasive cardiac stress testing loses accuracy when applied to pre-LT cirrhotic patients.AIM To assess the feasibility and accuracy of a machine learning model used to predict post-LT MACE in a regional cohort.METHODS This retrospective cohort study involved 575 LT patients from a Southern Brazilian academic center.We developed a predictive model for post-LT MACE(defined as a composite outcome of stroke,new-onset heart failure,severe arrhythmia,and myocardial infarction)using the extreme gradient boosting(XGBoost)machine learning model.We addressed missing data(below 20%)for relevant variables using the k-nearest neighbor imputation method,calculating the mean from the ten nearest neighbors for each case.The modeling dataset included 83 features,encompassing patient and laboratory data,cirrhosis complications,and pre-LT cardiac assessments.Model performance was assessed using the area under the receiver operating characteristic curve(AUROC).We also employed Shapley additive explanations(SHAP)to interpret feature impacts.The dataset was split into training(75%)and testing(25%)sets.Calibration was evaluated using the Brier score.We followed Transparent Reporting of a Multivariable Prediction Model for Individual Prognosis or Diagnosis guidelines for reporting.Scikit-learn and SHAP in Python 3 were used for all analyses.The supplementary material includes code for model development and a user-friendly online MACE prediction calculator.RESULTS Of the 537 included patients,23(4.46%)developed in-hospital MACE,with a mean age at transplantation of 52.9 years.The majority,66.1%,were male.The XGBoost model achieved an impressive AUROC of 0.89 during the training stage.This model exhibited accuracy,precision,recall,and F1-score values of 0.84,0.85,0.80,and 0.79,respectively.Calibration,as assessed by the Brier score,indicated excellent model calibration with a score of 0.07.Furthermore,SHAP values highlighted the significance of certain variables in predicting postoperative MACE,with negative noninvasive cardiac stress testing,use of nonselective beta-blockers,direct bilirubin levels,blood type O,and dynamic alterations on myocardial perfusion scintigraphy being the most influential factors at the cohort-wide level.These results highlight the predictive capability of our XGBoost model in assessing the risk of post-LT MACE,making it a valuable tool for clinical practice.CONCLUSION Our study successfully assessed the feasibility and accuracy of the XGBoost machine learning model in predicting post-LT MACE,using both cardiovascular and hepatic variables.The model demonstrated impressive performance,aligning with literature findings,and exhibited excellent calibration.Notably,our cautious approach to prevent overfitting and data leakage suggests the stability of results when applied to prospective data,reinforcing the model’s value as a reliable tool for predicting post-LT MACE in clinical practice.

Trusted Encrypted Traffic Intrusion Detection Method Based on Federated Learning and Autoencoder

With the rapid development of the Internet,network security and data privacy are increasingly valued.Although classical Network Intrusion Detection System(NIDS)based on Deep Learning(DL)models can provide good detection accuracy,but collecting samples for centralized training brings the huge risk of data privacy leakage.Furthermore,the training of supervised deep learning models requires a large number of labeled samples,which is usually cumbersome.The“black-box”problem also makes the DL models of NIDS untrustworthy.In this paper,we propose a trusted Federated Learning(FL)Traffic IDS method called FL-TIDS to address the above-mentioned problems.In FL-TIDS,we design an unsupervised intrusion detection model based on autoencoders that alleviates the reliance on marked samples.At the same time,we use FL for model training to protect data privacy.In addition,we design an improved SHAP interpretable method based on chi-square test to perform interpretable analysis of the trained model.We conducted several experiments to evaluate the proposed FL-TIDS.We first determine experimentally the structure and the number of neurons of the unsupervised AE model.Secondly,we evaluated the proposed method using the UNSW-NB15 and CICIDS2017 datasets.The exper-imental results show that the unsupervised AE model has better performance than the other 7 intrusion detection models in terms of precision,recall and f1-score.Then,federated learning is used to train the intrusion detection model.The experimental results indicate that the model is more accurate than the local learning model.Finally,we use an improved SHAP explainability method based on Chi-square test to analyze the explainability.The analysis results show that the identification characteristics of the model are consistent with the attack characteristics,and the model is reliable.

A Systematic Literature Review of Machine Learning and Deep Learning Approaches for Spectral Image Classification in Agricultural Applications Using Aerial Photography

Recently,there has been a notable surge of interest in scientific research regarding spectral images.The potential of these images to revolutionize the digital photography industry,like aerial photography through Unmanned Aerial Vehicles(UAVs),has captured considerable attention.One encouraging aspect is their combination with machine learning and deep learning algorithms,which have demonstrated remarkable outcomes in image classification.As a result of this powerful amalgamation,the adoption of spectral images has experienced exponential growth across various domains,with agriculture being one of the prominent beneficiaries.This paper presents an extensive survey encompassing multispectral and hyperspectral images,focusing on their applications for classification challenges in diverse agricultural areas,including plants,grains,fruits,and vegetables.By meticulously examining primary studies,we delve into the specific agricultural domains where multispectral and hyperspectral images have found practical use.Additionally,our attention is directed towards utilizing machine learning techniques for effectively classifying hyperspectral images within the agricultural context.The findings of our investigation reveal that deep learning and support vector machines have emerged as widely employed methods for hyperspectral image classification in agriculture.Nevertheless,we also shed light on the various issues and limitations of working with spectral images.This comprehensive analysis aims to provide valuable insights into the current state of spectral imaging in agriculture and its potential for future advancements.

Learning to Branch in Combinatorial Optimization With Graph Pointer Networks

Traditional expert-designed branching rules in branch-and-bound(B&B) are static, often failing to adapt to diverse and evolving problem instances. Crafting these rules is labor-intensive, and may not scale well with complex problems.Given the frequent need to solve varied combinatorial optimization problems, leveraging statistical learning to auto-tune B&B algorithms for specific problem classes becomes attractive. This paper proposes a graph pointer network model to learn the branch rules. Graph features, global features and historical features are designated to represent the solver state. The graph neural network processes graph features, while the pointer mechanism assimilates the global and historical features to finally determine the variable on which to branch. The model is trained to imitate the expert strong branching rule by a tailored top-k Kullback-Leibler divergence loss function. Experiments on a series of benchmark problems demonstrate that the proposed approach significantly outperforms the widely used expert-designed branching rules. It also outperforms state-of-the-art machine-learning-based branch-and-bound methods in terms of solving speed and search tree size on all the test instances. In addition, the model can generalize to unseen instances and scale to larger instances.

Optimizing Deep Learning for Computer-Aided Diagnosis of Lung Diseases: An Automated Method Combining Evolutionary Algorithm, Transfer Learning, and Model Compression

Recent developments in Computer Vision have presented novel opportunities to tackle complex healthcare issues,particularly in the field of lung disease diagnosis.One promising avenue involves the use of chest X-Rays,which are commonly utilized in radiology.To fully exploit their potential,researchers have suggested utilizing deep learning methods to construct computer-aided diagnostic systems.However,constructing and compressing these systems presents a significant challenge,as it relies heavily on the expertise of data scientists.To tackle this issue,we propose an automated approach that utilizes an evolutionary algorithm(EA)to optimize the design and compression of a convolutional neural network(CNN)for X-Ray image classification.Our approach accurately classifies radiography images and detects potential chest abnormalities and infections,including COVID-19.Furthermore,our approach incorporates transfer learning,where a pre-trainedCNNmodel on a vast dataset of chest X-Ray images is fine-tuned for the specific task of detecting COVID-19.This method can help reduce the amount of labeled data required for the task and enhance the overall performance of the model.We have validated our method via a series of experiments against state-of-the-art architectures.

AMachine Learning Approach to Cyberbullying Detection in Arabic Tweets

With the rapid growth of internet usage,a new situation has been created that enables practicing bullying.Cyberbullying has increased over the past decade,and it has the same adverse effects as face-to-face bullying,like anger,sadness,anxiety,and fear.With the anonymity people get on the internet,they tend to bemore aggressive and express their emotions freely without considering the effects,which can be a reason for the increase in cyberbullying and it is the main motive behind the current study.This study presents a thorough background of cyberbullying and the techniques used to collect,preprocess,and analyze the datasets.Moreover,a comprehensive review of the literature has been conducted to figure out research gaps and effective techniques and practices in cyberbullying detection in various languages,and it was deduced that there is significant room for improvement in the Arabic language.As a result,the current study focuses on the investigation of shortlisted machine learning algorithms in natural language processing(NLP)for the classification of Arabic datasets duly collected from Twitter(also known as X).In this regard,support vector machine(SVM),Naive Bayes(NB),Random Forest(RF),Logistic regression(LR),Bootstrap aggregating(Bagging),Gradient Boosting(GBoost),Light Gradient Boosting Machine(LightGBM),Adaptive Boosting(AdaBoost),and eXtreme Gradient Boosting(XGBoost)were shortlisted and investigated due to their effectiveness in the similar problems.Finally,the scheme was evaluated by well-known performance measures like accuracy,precision,Recall,and F1-score.Consequently,XGBoost exhibited the best performance with 89.95%accuracy,which is promising compared to the state-of-the-art.

THAPE: A Tunable Hybrid Associative Predictive Engine Approach for Enhancing Rule Interpretability in Association Rule Learning for the Retail Sector

Association rule learning(ARL)is a widely used technique for discovering relationships within datasets.However,it often generates excessive irrelevant or ambiguous rules.Therefore,post-processing is crucial not only for removing irrelevant or redundant rules but also for uncovering hidden associations that impact other factors.Recently,several post-processing methods have been proposed,each with its own strengths and weaknesses.In this paper,we propose THAPE(Tunable Hybrid Associative Predictive Engine),which combines descriptive and predictive techniques.By leveraging both techniques,our aim is to enhance the quality of analyzing generated rules.This includes removing irrelevant or redundant rules,uncovering interesting and useful rules,exploring hidden association rules that may affect other factors,and providing backtracking ability for a given product.The proposed approach offers a tailored method that suits specific goals for retailers,enabling them to gain a better understanding of customer behavior based on factual transactions in the target market.We applied THAPE to a real dataset as a case study in this paper to demonstrate its effectiveness.Through this application,we successfully mined a concise set of highly interesting and useful association rules.Out of the 11,265 rules generated,we identified 125 rules that are particularly relevant to the business context.These identified rules significantly improve the interpretability and usefulness of association rules for decision-making purposes.

Automatic depth matching method of well log based on deep reinforcement learning

In the traditional well log depth matching tasks,manual adjustments are required,which means significantly labor-intensive for multiple wells,leading to low work efficiency.This paper introduces a multi-agent deep reinforcement learning(MARL)method to automate the depth matching of multi-well logs.This method defines multiple top-down dual sliding windows based on the convolutional neural network(CNN)to extract and capture similar feature sequences on well logs,and it establishes an interaction mechanism between agents and the environment to control the depth matching process.Specifically,the agent selects an action to translate or scale the feature sequence based on the double deep Q-network(DDQN).Through the feedback of the reward signal,it evaluates the effectiveness of each action,aiming to obtain the optimal strategy and improve the accuracy of the matching task.Our experiments show that MARL can automatically perform depth matches for well-logs in multiple wells,and reduce manual intervention.In the application to the oil field,a comparative analysis of dynamic time warping(DTW),deep Q-learning network(DQN),and DDQN methods revealed that the DDQN algorithm,with its dual-network evaluation mechanism,significantly improves performance by identifying and aligning more details in the well log feature sequences,thus achieving higher depth matching accuracy.

A Tutorial on Federated Learning from Theory to Practice:Foundations,Software Frameworks,Exemplary Use Cases,and Selected Trends

When data privacy is imposed as a necessity,Federated learning(FL)emerges as a relevant artificial intelligence field for developing machine learning(ML)models in a distributed and decentralized environment.FL allows ML models to be trained on local devices without any need for centralized data transfer,thereby reducing both the exposure of sensitive data and the possibility of data interception by malicious third parties.This paradigm has gained momentum in the last few years,spurred by the plethora of real-world applications that have leveraged its ability to improve the efficiency of distributed learning and to accommodate numerous participants with their data sources.By virtue of FL,models can be learned from all such distributed data sources while preserving data privacy.The aim of this paper is to provide a practical tutorial on FL,including a short methodology and a systematic analysis of existing software frameworks.Furthermore,our tutorial provides exemplary cases of study from three complementary perspectives:i)Foundations of FL,describing the main components of FL,from key elements to FL categories;ii)Implementation guidelines and exemplary cases of study,by systematically examining the functionalities provided by existing software frameworks for FL deployment,devising a methodology to design a FL scenario,and providing exemplary cases of study with source code for different ML approaches;and iii)Trends,shortly reviewing a non-exhaustive list of research directions that are under active investigation in the current FL landscape.The ultimate purpose of this work is to establish itself as a referential work for researchers,developers,and data scientists willing to explore the capabilities of FL in practical applications.

A Case Study Applying Mesoscience to Deep Learning

In this paper,we propose mesoscience-guided deep learning(MGDL),a deep learning modeling approach guided by mesoscience,to study complex systems.When establishing sample dataset based on the same system evolution data,different from the operation of conventional deep learning method,MGDL introduces the treatment of the dominant mechanisms of complex system and interactions between them according to the principle of compromise in competition(CIC)in mesoscience.Mesoscience constraints are then integrated into the loss function to guide the deep learning training.Two methods are proposed for the addition of mesoscience constraints.The physical interpretability of the model-training process is improved by MGDL because guidance and constraints based on physical principles are provided.MGDL was evaluated using a bubbling bed modeling case and compared with traditional techniques.With a much smaller training dataset,the results indicate that mesoscience-constraint-based model training has distinct advantages in terms of convergence stability and prediction accuracy,and it can be widely applied to various neural network configurations.The MGDL approach proposed in this paper is a novel method for utilizing the physical background information during deep learning model training.Further exploration of MGDL will be continued in the future.

SNR and RSSI Based an Optimized Machine Learning Based Indoor Localization Approach:Multistory Round Building Scenario over LoRa Network

In situations when the precise position of a machine is unknown,localization becomes crucial.This research focuses on improving the position prediction accuracy over long-range(LoRa)network using an optimized machine learning-based technique.In order to increase the prediction accuracy of the reference point position on the data collected using the fingerprinting method over LoRa technology,this study proposed an optimized machine learning(ML)based algorithm.Received signal strength indicator(RSSI)data from the sensors at different positions was first gathered via an experiment through the LoRa network in a multistory round layout building.The noise factor is also taken into account,and the signal-to-noise ratio(SNR)value is recorded for every RSSI measurement.This study concludes the examination of reference point accuracy with the modified KNN method(MKNN).MKNN was created to more precisely anticipate the position of the reference point.The findings showed that MKNN outperformed other algorithms in terms of accuracy and complexity.

A deep reinforcement learning approach to gasoline blending real-time optimization under uncertainty

The gasoline inline blending process has widely used real-time optimization techniques to achieve optimization objectives,such as minimizing the cost of production.However,the effectiveness of real-time optimization in gasoline blending relies on accurate blending models and is challenged by stochastic disturbances.Thus,we propose a real-time optimization algorithm based on the soft actor-critic(SAC)deep reinforcement learning strategy to optimize gasoline blending without relying on a single blending model and to be robust against disturbances.Our approach constructs the environment using nonlinear blending models and feedstocks with disturbances.The algorithm incorporates the Lagrange multiplier and path constraints in reward design to manage sparse product constraints.Carefully abstracted states facilitate algorithm convergence,and the normalized action vector in each optimization period allows the agent to generalize to some extent across different target production scenarios.Through these well-designed components,the algorithm based on the SAC outperforms real-time optimization methods based on either nonlinear or linear programming.It even demonstrates comparable performance with the time-horizon based real-time optimization method,which requires knowledge of uncertainty models,confirming its capability to handle uncertainty without accurate models.Our simulation illustrates a promising approach to free real-time optimization of the gasoline blending process from uncertainty models that are difficult to acquire in practice.

Toward Next-Generation Heterogeneous Catalysts:Empowering Surface Reactivity Prediction with Machine Learning

Heterogeneous catalysis remains at the core of various bulk chemical manufacturing and energy conversion processes,and its revolution necessitates the hunt for new materials with ideal catalytic activities and economic feasibility.Computational high-throughput screening presents a viable solution to this challenge,as machine learning(ML)has demonstrated its great potential in accelerating such processes by providing satisfactory estimations of surface reactivity with relatively low-cost information.This review focuses on recent progress in applying ML in adsorption energy prediction,which predominantly quantifies the catalytic potential of a solid catalyst.ML models that leverage inputs from different categories and exhibit various levels of complexity are classified and discussed.At the end of the review,an outlook on the current challenges and future opportunities of ML-assisted catalyst screening is supplied.We believe that this review summarizes major achievements in accelerating catalyst discovery through ML and can inspire researchers to further devise novel strategies to accelerate materials design and,ultimately,reshape the chemical industry and energy landscape.