The presence of pollutants in our atmosphere has become one of humanity’s greatest challenges. These pollutants, produced primarily by burning fossil fuels, are detrimental to human health, our climate and agriculture. This work proposes the use of a spatiotemporal graph neural network, designed to forecast ozone concentration based on the GraphSAGE paradigm, to aid in our understanding of the dynamic nature of these pollutants’ production and proliferation in urban areas. This model was trained and tested using data from Houston, Texas, the United States, with varying numbers of time-lags, forecast horizons (1, 3, 6 h ahead), input data and nearby stations. The results show that the proposed GNN-SAGE model successfully recognized spatiotemporal patterns underlying these data, bolstering its forecasting performance when compared with a benchmarking persistence model by 33.7%, 48.7% and 57.1% for 1, 3 and 6 h forecast horizons, respectively. The proposed model produces error levels lower than we could find in the existing literature. The conclusions drawn from variable importance SHAP analysis also revealed that when predicting ozone, solar radiation becomes relevant as the forecast time horizon is raised. According to EPA regulation, the model also determined nonattainment conditions for the reference station.

Floods are one of the most lethal natural disasters. It is crucial to forecast the timing and evolution of these events and create an advanced warning system to allow for the proper implementation of preventive measures. This work introduced a new graph-based forecasting model, namely, graph neural network sample and aggregate (GNN-SAGE), to estimate river flooding. It then validated the proposed model in the Humber River watershed in Ontario, Canada. Using past precipitation and stage data from reference and neighboring stations, the proposed GNN-SAGE model could estimate the river stage for flooding events up to 24 h ahead, improving its forecasting performance by an average of 18% compared with the persistence model and 9% compared with the graph-based model residual gated graph convolutional network (GNN-ResGated), which were used as baselines. Furthermore, GNN-SAGE generated smaller errors than those reported in the current literature. The Shapley additive explanations (SHAP) revealed that prior data from the reference station was the most significant factor for all prediction intervals, with seasonality and precipitation being more influential for longer-range forecasts. The findings positioned the proposed GNN-SAGE model as a cutting-edge solution for flood forecasting and a valuable resource for devising early flood-warning systems.

It is crucial to monitor algal blooms in freshwater reservoirs through an examination of chlorophyll-a (Chla) concentrations, as they indicate the trophic condition of these waterbodies. Traditional monitoring methods, however, are expensive and time-consuming. Addressing this hindrance, we conducted a comprehensive investigation using several machine learning models for Chla modeling. To this end, we used in situ collected water sample data and remote sensing data from the Sentinel-2 satellite, including spectral bands and indices, for large-scale coverage. This approach allowed us to conduct a comprehensive analysis and characterization of the Chla concentrations across 149 freshwater reservoirs in Ceará, a semi-arid region of Brazil. The implemented machine learning models included k-nearest neighbors, random forest, extreme gradient boosting, the least absolute shrinkage, and the group method of data handling (GMDH); in particular, the GMDH approach has not been previously explored in this context. The forward stepwise approach was used to determine the best subset of input parameters. Using a 70/30 split for the training and testing datasets, the best-performing model was the GMDH model, achieving an R² of 0.91, an MAPE of 102.34%, and an RMSE of 20.4 μg/L, which were values consistent with the ones found in the literature. Nevertheless, the predicted Chla concentration values were most sensitive to the red, green, and near-infrared bands.

Merging machine learning with the power of quantum computing holds great potential for data-driven decision making and the development of powerful models for complex datasets. This area offers the potential for improving the accuracy of the real-time prediction of renewable energy production, such as solar irradiance forecasting. However, the literature on this topic is sparse. Addressing this knowledge gap, this study aims to develop and evaluate a quantum neural network model for solar irradiance prediction up to 3 h in advance. The proposed model was compared with Support Vector Regression, Group Method of Data Handling, and Extreme Gradient Boost classical models. The proposed framework could provide competitive results compared to its competitors, considering forecasting intervals of 5 to 120 min ahead, where it was the fourth best-performing paradigm. For 3 h ahead predictions, the proposed model achieved the second-best results compared with the other approaches, reaching a root mean squared error of 77.55 W/m² and coefficient of determination of 80.92% for global horizontal irradiance forecasting. The results for longer forecasting horizons suggest that the quantum model may process spatiotemporal information from the input dataset in a manner not attainable by the current classical approaches, thus improving forecasting capacity in longer predictive windows.

In this work we present the development, testing and comparison of three different physics-informed deep learning paradigms, namely the ConvLSTM, CNN-LSTM and a novel Fourier Neural Operator (FNO), for solving the partial differential equations of the RANS turbulence model. The 2D lid-driven cavity flow was chosen as our system of interest, and a dataset was generated using OpenFOAM. For this task, the models underwent hyperparameter optimization, prior to testing the effects of embedding physical information on performance. We used the mass conservation of the model solution, embedded as a term in our loss penalty, as our physical information. This approach has been shown to give physical coherence to the model results. Based on the performance, the ConvLSTM and FNO models were assessed in forecasting the flow for various combinations of input and output timestep sizes. The FNO model trained to forecast one timestep from one input timestep performed the best, with an RMSE for the overall x and y velocity components of 0.0060743 m·s⁻¹.