A machine learning approach for modeling and optimization of a CO2 post-combustion capture unit

The best practice of watershed management is through the understanding of the hydrological processes. As a matter of fact, hydrological processes are highly associated with stochastic, non-linear, and non-stationary phenomena. Hydrological processes simulation and modeling are challenging issues in the domains of hydrology, climate and environment. Hence, the development of machine learning (ML) models for solving those complex hydrological problems took essential place over the past couple decades. It can be observed, hydrological data availability has increased remarkably, and thus computational resources has led to a resurgence in ML models’ development. It has been witnessed huge efforts on the hydrological processes modeling using the facility of ML models and several review researches have been conducted. Literature studies approved the capacity of ML models in the field of hydrology over the classical “traditional models” based on their forecastability, flexibility, precision, generalization, and modeling execution convergence speed. However, although several potential merits were observed in ML model’s development, several limitations are allied such as the interpretability of those black-box models, the practicality of the ML models in watershed management, and difficulty to explain the physical hydrological processes. In this survey, an exhibition for all the published review articles on the development of ML models for hydrological processes and recognize all the research gaps and potential research direction. The ultimate aim of the current survey is to establish a new milestone for the interested hydrology, environment and climate researchers on the applications of ML models.

Aim: The majority of machine learning (ML) models in healthcare are built on retrospective data, much of which is collected without explicit patient consent for use in artificial intelligence (AI) and ML applications. The primary aim of this study was to evaluate whether clinicians and scientific researchers themselves consent to provide their own data for the training of ML models. Materials and Methods: This survey was conducted through an anonymous online survey, utilizing platforms such as Telegram, LinkedIn, and Viber. The target audience comprised specific international groups, primarily Russian, German, and English-speaking, of clinicians and scientific researchers. These participants ranged in their levels of expertise and experience, from beginners to veterans. The survey centered on a singular, pivotal question: “Do You Consent to the Use of Your Biological and Private Data for Training Machine Learning and AI Models?” Respondents had the option to choose from three responses: “Yes” and “No”. Results: The survey was conducted in January 2024. A total of 119 unique and verified individuals participated in the survey. The results revealed that only 50% of respondents (63 persons) expressed consent to provide their own data for the training of ML and AI models. Conclusion: In the development of ML and AI models, particularly open-source ones, it is crucial to ascertain whether participants are willing to provide their private data. While ML algorithms can transform the nature of data, it is important to remember that the primary owner of this data is the individual. Our findings show that in 50% of the cases, even participants from scientific research and clinical backgrounds – individuals typically accountable for ensuring data quality in AI and ML model development – do not consent to the use of their data in AI and ML settings. This highlights the need for more stringent consent processes and ethical considerations in the utilization of personal data in AI and ML research.

Performance analysis of support vector machine, Gaussian Process Regression, sequential quadratic programming algorithms in modeling hydrogen-rich syngas production from catalyzed co-gasification of biomass wastes from oil palm

Summary A meticulous interpretation of steady-state or unsteady-state relative permeability (Kr) experimental data is required to determine a complete set of Kr curves. In this work, different machine learning (ML) models were developed to assist in a faster estimation of these curves from steady-state drainage coreflooding experimental runs. These ML algorithms include gradient boosting (GB), random forest (RF), extreme gradient boosting (XGB), and deep neural network (DNN) with a main focus on and comparison of the two latter algorithms (XGB and DNN). Based on existing mathematical models, a leading-edge framework was developed where a large database of Kr and capillary pressure (Pc) curves were generated. This database was used to perform thousands of coreflood simulation runs representing oil-water drainage steady-state experiments. The results obtained from these simulation runs, mainly pressure drop along with other conventional core analysis data, were used to estimate analytical Kr curves based on Darcy’s law. These analytically estimated Kr curves along with the previously generated Pc curves were fed as features into the ML model. The entire data set was split into 80% for training and 20% for testing. The k-fold cross-validation technique was applied to increase the model’s accuracy by splitting 80% of the training data into 10 folds. In this manner, for each of the 10 experiments, nine folds were used for training and the remaining fold was used for model validation. Once the model was trained and validated, it was subjected to blind testing on the remaining 20% of the data set. The ML model learns to capture fluid flow behavior inside the core from the training data set. In terms of applicability of these ML models, two sets of experimental data were needed as input; the first was the analytically estimated Kr curves from the steady-state drainage coreflooding experiments, while the other was the Pc curves estimated from centrifuge or mercury injection capillary pressure (MICP) measurements. The trained/tested model was then able to estimate Kr curves based on the experimental results fed as input. Furthermore, to test the performance of the ML model when only one set of experimental data is available to an end user, a recurrent neural network (RNN) algorithm was trained/tested to predict Kr curves in the absence of Pc curves as an input. The performance of the three developed models (XGB, DNN, and RNN) was assessed using the values of the coefficient of determination (R2) along with the loss calculated during training/validation of the model. The respective crossplots along with comparisons of ground truth vs. artificial intelligence (AI)-predicted curves indicated that the model is capable of making accurate predictions with an error percentage between 0.2% and 0.6% on history-matching experimental data for all three tested ML techniques. This implies that the AI-based model exhibits better efficiency and reliability in determining Kr curves when compared to conventional methods. The developed ML models by no means replace the need to conduct drainage coreflooding or centrifuge experiments but act as an alternative to existing commercial platforms that are used to interpret experimental data to predict Kr curves. The two main advantages of the developed ML models are their capability of predicting Kr curves within a matter of a few minutes as well as with limited intervention from the end user. The results also include a comparison between classical ML approaches, shallow neural networks, and DNNs in terms of accuracy in predicting the final Kr curves. The research presented here is an extension of the state-of-the-art framework proposed by Mathew et al. (2021). However, the two main aspects of the current study are the application of deep learning for the prediction of Kr curves and the application of feature engineering. The latter not only reduces the training/testing time for the ML models but also enables the end user to obtain the final predictions with the least set of experimental data. The various models discussed in this research work currently focus on the prediction of Kr curves for drainage steady-state experiments; however, the work can be extended to capture the imbibition cycle as well.

The term carbon dioxide capture and storage (CCS) refers to a range of technologies that can reduce CO2 emissions from fossil fuels enabling the continued use of this fuel type without compromising the security of electricity supply. The technologies applicable to CCS differ in many key aspects; the stage of the electricity generation process at which the CO2 is captured, the CO2 capture process, efficiency, availability and matureness of the technology. The integration of these technologies into power plants results in a reduction in power generation efficiency, which remains one of the major issues for the commercial implementation of CCS. Among the possible technologies, the focus of this thesis is on post-combustion capture as it is a known technology, is readily available and it can be retrofitted to existing power plants. This thesis is concerned with the development of new carbon capture processes that require less energy for CO2 separation and are, at the same time, more environmentally friendly. Prior to the development of any new process, the current state of the art needs to be analysed and updated in order to set realistic targets for the new technology and benchmark the potential of the newly developed processes. Therefore, part of the work of this thesis is a thorough benchmarking exercise in which updated baselines for the performance of conventional post-combustion capture processes are given. The new process concepts developed in this thesis are based on the combination of enhanced absorption and enhanced desorption, two effects encountered in capture processes that are based on precipitating amino acid solvents. For this purpose, the conceptual design methodology has been followed with a specific target of energy reduction set to (at least) 30% of a conventional MEA process.

Accurate estimation of reference evapotranspiration (ETo) plays a vital role in irrigation and water resource planning. The Penman–Monteith method recommended by the Food and Agriculture Organization (FAO PM56) is widely used and considered a standard to calculate ETo. However, FAO PM56 cannot be used with limited meteorological variables, so it is compulsory to choose an alternative model for ETo estimation, which requires fewer variables. This study built ten machine learning (ML) models based on multi-function, neural network, and tree-based structure against the FAO PM56 method. For this purpose, time series temperature data on a monthly scale are only used to train ML models. The developed ML models were applied to estimate ETo at different test stations and the obtained results were compared with the FAO PM56 method to verify and validate their performance in ETo estimation for the selected stations. In addition, multiple statistical indicators, including root-mean-square error (RMSE), coefficient of determination (R2), mean absolute error (MAE), Nash–Sutcliffe efficiency (NSE), and correlation coefficient (r) were calculated to compare the performance of each ML model on ETo estimation. Among the applied ML models, the ETo tree boost (TB) ML model outperformed the other ML models in estimating ETo in diverse climatic conditions based on statistical indicators (R2, NSE, r, RMSE, and MAE). Moreover, the observed R2, NSE, and r were the highest for the TB ML model, while RMSE and MAE were found to be the lowest at the study sites compared to other applied ML models. Lastly, ETo point data yielded from the TB ML model was used in an interpolation process to create monthly and annual ETo maps. Based on the ETo maps, this study suggests mainly a focus on areas with high ETo values and proper irrigation scheduling of crops to ensure water sustainability.

Machine learning-based water quality prediction using octennial in-situ Daphnia magna biological early warning system data

Development of machine learning models for prediction of antibody non-specificity.

Experimental study on partial oxy-combustion technology in a bench-scale CO2 capture unit

Towards Zero Emissions from Fossil Fuel Power Stations

Role of CCS for Emission Reduction from Fertiliser and Cement Industry

BackgroundThe large amount of heterogeneous data collected in surgical/endoscopic practice calls for data-driven approaches as machine learning (ML) models. The aim of this study was to develop ML models to predict endoscopic sleeve gastroplasty (ESG) efficacy at 12 months defined by total weight loss (TWL) % and excess weight loss (EWL) % achievement. Multicentre data were used to enhance generalizability: evaluate consistency among different center of ESG practice and assess reproducibility of the models and possible clinical application. Models were designed to be dynamic and integrate follow-up clinical data into more accurate predictions, possibly assisting management and decision-making.MethodsML models were developed using data of 404 ESG procedures performed at 12 centers across Europe. Collected data included clinical and demographic variables at the time of ESG and at follow-up. Multicentre/external and single center/internal and temporal validation were performed. Training and evaluation of the models were performed on Python’s scikit-learn library. Performance of models was quantified as receiver operator curve (ROC-AUC), sensitivity, specificity, and calibration plots.ResultsMulticenter external validation: ML models using preoperative data show poor performance. Best performances were reached by linear regression (LR) and support vector machine models for TWL% and EWL%, respectively, (ROC-AUC: TWL% 0.87, EWL% 0.86) with the addition of 6-month follow-up data.Single-center internal validation: Preoperative data only ML models show suboptimal performance. Early, i.e., 3-month follow-up data addition lead to ROC-AUC of 0.79 (random forest classifiers model) and 0.81 (LR models) for TWL% and EWL% achievement prediction, respectively. Single-center temporal validation shows similar results.ConclusionsAlthough preoperative data only may not be sufficient for accurate postoperative predictions, the ability of ML models to adapt and evolve with the patients changes could assist in providing an effective and personalized postoperative care. ML models predictive capacity improvement with follow-up data is encouraging and may become a valuable support in patient management and decision-making.

Introduction: Early and accurate diagnosis of transthyretin amyloid cardiomyopathy (ATTR-CM) is known to improve prognosis. However, it is sometimes challenging to distinguish ATTR-CM from other cardiac conditions that cause left ventricular hypertrophy (LVH), such as hypertrophic cardiomyopathy (HCM), hypertensive LVH (h-LVH), and aortic stenosis (AS). The Mayo ATTR-CM score is commonly used to distinguish ATTR-CM from these mimickers. Herein, we constructed a machine learning (ML) model and compared its performance to the Mayo score. Hypothesis: A ML model based on readily available clinical variables will outperform the Mayo score in distinguishing ATTR-CM from other cardiac conditions that cause LVH. Methods: We performed a multicenter case-control study of 1,605 patients, including 303 ATTR-CM cases and 1,302 controls – i.e., 935 with HCM, 331 with h-LVH, and 36 with AS. We allocated the former two-thirds of each disease group to the training set and the latter one-third to the prospective test set for validation. We developed a main ML model in the training set using XGBoost with 18 clinical variables including demographics, comorbidities, laboratory values, and echocardiographic data. We examined its performance in the test set using the area under the receiver-operating-characteristic curve (AUC) and decision curve analysis (DCA). In addition, we developed a simplified ML model using only the top 5 variables identified by feature importance and tested its performance. Results: The top 5 most important variables were age, LV diameter in systole, LV posterior wall thickness in diastole, LV ejection fraction, and left atrial diameter ( Figure 1 ). The main ML model (AUC: 0.96, 95% CI: 0.93–0.98) outperformed the Mayo score (AUC: 0.84, 95% CI: 0.79–0.89, DeLong’s P <0.0001; Figure 2 ) in the test set. DCA demonstrated that the ML model provided greater net benefit across all threshold probabilities ( Figure 3 ). The simplified 5-variable model also outperformed the Mayo score (AUC: 0.94, 95% CI: 0.91–0.97, DeLong’s P <0.0001). Conclusions: In this multicenter study, we developed ML models that effectively distinguish ATTR-CM from its mimickers that cause LVH using readily available clinical variables. Given the simplicity and accuracy of our models, the present study serves as an important initial step toward the development of a robust, data-driven tool that could be readily automated and integrated into electronic medical record system to screen for ATTR-CM.

Interpretable vs. noninterpretable machine learning models for data-driven hydro-climatological process modeling

In chemical engineering design, process plants are often capable of turndown and flexible operation to maximise profitability depending on demand and price signals, and the optimisation of these processes needs to take into account the variability in the plant operation. By performing the optimisation with flexible operating conditions the overall plant performance can be improved. The optimisation process makes use of two computational modelling techniques: multi-objective optimisation (MOO) and surrogate modelling. Multi-objective optimisation allows for the optimisation of two or more competing variables simultaneously. In the cases studied here, the long individual simulation time coupled with the large number of individual simulations required meant that the total simulation time was prohibitive for dynamic MOO. In order to reduce computation time surrogate models of the processes are developed using artificial neural networks. A statistical dynamic modelling framework within a multi-objective optimisation methodology is developed to optimise a process plant’s performance. Here the dynamic modelling is used to optimise the economic and environmental performance of natural gas combined cycle power plant systems fitted with carbon capture and storage (CCS) and solar thermal energy (STE) in a time-integrated MOO framework. This framework allows for variable process inputs and flexible operation based on external signals, such as product price. By introducing a probabilistic approach to the modelling of flexible operation allows for more data to be included in the analysis. The methodology for dynamic modelling of flexible operation could be applied to other industrial processes that face similar dynamic economic and/or environmental conditions. From a CCS standpoint dynamic MOO was used to show that variable capture can be used to make the CCS plant more profitable over steady state operation. At a capture rate of 80 % the NPV of a gas turbine combined cycle with CCS improved by 38 m$AU by utilising flexible operation of the capture process. This also allows for various economic scenarios to incentivise the reduction of CO₂ emissions from natural gas based power plants, with the use of CCS and STE used to reduce the greenhouse emissions. The economic strategies of a carbon price and governmental grants are investigated to determine the levels of policy help to incentivise implementing CO₂ reduction technologies. In order to achieve a financial incentive for limiting CO₂ emissions from a combined cycle power plants equipped with CCS a government co-investment grant of 50 % of the capital costs and a carbon price of 83 $AU/tCO₂ is required.