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Recent Progress on Surface Water Quality Models Utilizing Machine Learning Techniques

Surface waterbodies are heavily exposed to pollutants caused by natural disasters and human activities. Empowering sensor technologies in water quality monitoring, sufficient measurements have become available to develop machine learning (ML) models. Numerous ML models have quickly been adopted to predict water quality indicators in various surface waterbodies. This paper reviews 78 recent articles from 2022 to October 2024, categorizing water quality models utilizing ML into three groups: Point-to-Point (P2P), which estimates the current target value based on other measurements at the same time point; Sequence-to-Point (S2P), which utilizes previous time series data to predict the target value at one time point ahead; and Sequence-to-Sequence (S2S), which uses previous time series data to forecast sequential target values in the future. The ML models used in each group are classified and compared according to water quality indicators, data availability, and model performance. Widely used strategies for improving performance, including feature engineering, hyperparameter tuning, and transfer learning, are recognized and described to enhance model effectiveness. The interpretability limitations of ML applications are discussed. This review provides a perspective on emerging ML for surface water quality models.

machine learning (ML)

Development of a three dimensional numerical water quality model for continental shelf applications

A model to predict the distribution of water quality parameters in three dimensions was developed. The mass transport equation was solved using a non-dimensional vertical axis and an alternating-direction-implicit finite difference technique. The reaction kinetics of the constituents were incorporated into a matrix method which permits computation of the interactions of multiple constituents. Methods for the computation of dispersion coefficients and coliform bacteria decay rates were determined. Numerical investigations of dispersive and dissipative effects showed that the three-dimensional model performs as predicted by analysis of simpler cases. The model was then applied to a two dimensional vertically averaged tidal dynamics model for the Providence River. It was also extended to a steady state application by replacing the time step with an iteration sequence. This modification was verified by comparison to analytical solutions and applied to a river confluence situation.

Spaulding, M.

Enhancing Drinking Water Quality Modeling: Leveraging Physics Informed Neural Networks for Learning with Imperfect Reaction Models and Partial Data

Chemical kinetics models, typically formulated as systems of ordinary or partial differential equations, are valuable tools for simulating drinking water quality. However, these models often face inaccuracies due to discrepancies between the laboratory and the real-world conditions, as well as limitations in experimental analytical methods, hindering the accurate representation of the true underlying chemical mechanisms. In this study, we propose a Physics Informed Neural Network (PINN), using the eXtreme Theory of Functional Connections, to improve the prediction of chemical concentrations over time. The PINN method accounts for imperfect chemical models and incorporates partial data to improve predictions. Focusing on reactions describing water disinfection residual and disinfectant byproduct formation, which are crucial for public health and regulatory compliance, we demonstrate that the PINN model is able to accurately predict the concentrations of chemical species across various pH values. Notably, the model extends its accuracy to predict concentrations of chemical species not originally included in its training data. The developed method can be extended to a variety of chemical systems, offering a wide array of potential applications.

13 HYDRO ENERGY

Derivation of a three dimensional numerical water quality model for estuary and continental shelf application

A derivation is given for a three dimensional mass transport equation which is appropriate for numerical modeling of estuary and continental shelf water quality variations for both the time dependent and steady state cases. A finite difference approximation to the derived equation is presented and a solution scheme for the resulting equations outlined. Preliminary results are obtained using the model for the extremely simple problems which have analytical solutions. The numerical model, as presented, will provide a scheme to study water quality problems in coastal waters for both steady state and time dependent cases.

Spaulding, M.

Water quality modeling using geographic information system (GIS) data

Protection of the environment and natural resources at the Kennedy Space Center (KSC) is of great concern. The potential for surface and ground water quality problems resulting from non-point sources of pollution was examined using models. Since spatial variation of parameters required was important, geographic information systems (GIS) and their data were used. The potential for groundwater contamination was examined using the SEEPAGE (System for Early Evaluation of the Pollution Potential of Agricultural Groundwater Environments) model. A watershed near the VAB was selected to examine potential for surface water pollution and erosion using the AGNPS (Agricultural Non-Point Source Pollution) model.

Engel, Bernard A

Biophysical model of eelgrass and water quality in Coos Bay, OR shows greater mitigation potential for ocean acidification than hypoxia

Seagrass beds provide important ecosystem services and are valued, in part, for their potential to mediate stressors such as ocean acidification and hypoxia (OAH) for sensitive species. However, the susceptibility of seagrasses to anthropogenic impacts and recent declines motivate the need to better understand the drivers of seagrass and the water quality consequences that occur with variation in seagrass abundance. To meet this need, we leveraged existing monitoring data (water quality and seagrass), hydrodynamic circulation model, and biogeochemical model framework with seagrass submodel, to produce a biophysical model of Coos Bay estuary, Oregon, U.S. The model includes biogeochemical processes involving water quality, plankton, seagrass, and sediment-water interactions. Ecosystem models like this are useful for evaluating complex estuarine systems because they allow us to extend our understanding of system dynamics beyond existing observations and perform experiments to identify the processes driving observed patterns. We used the biophysical model of Coos Bay to evaluate the dynamics of water quality and native eelgrass (Zostera marina) under three eelgrass abundance scenarios (zero eelgrass, current extent, and maximum observed extent) to elucidate the relationship between eelgrass and OAH. Including eelgrass in the Coos Bay model produced results that more closely resembled water quality observations - dissolved oxygen (DO) and pH were more dynamic in simulations with eelgrass, often having both higher highs and lower lows. While there were some areas of the estuary where DO improved with the addition of eelgrass to the model there was overall a small net increase in harmful DO conditions (based on a salmon physiological threshold). In contrast, ocean acidification conditions, pH and calcium carbonate saturation state for aragonite (Ω), were improved (based on oyster requirements) with the addition of eelgrass - although the magnitude of improvement differed seasonally and spatially. Our new model represents a useful tool - one which accounts for and controls the relevant physical and biogeochemical processes - to evaluate conditions that confer resilience or enhance vulnerability to OAH in an important Pacific Northwest coastal estuary and results can inform the OAH-related dynamics occurring in other eastern boundary current estuaries.

FVCOM-ICM

A model to investigate the influence of suspended sediment on the mass transport of a pollutant in open channel flow

An explicit two-dimensional finite difference model, designed to investigate the influence of suspended sediment on the pollutant transport process, is presented. Specific attention is directed toward examining the role of suspended sediment in: (1) the turbulent vertical transport mechanism in a stratified flow, and (2) pollutant uptake due to sorption. Results presented indicate that suspended sediment plays a major role in the pollutant transport process, and subsequently, any meaningful attempt to model the fate of a pollutant in an alluvial channel must account for the presence of a suspended sediment concentration profile. Similarly, the vertical and longitudinal pollutant concentration distributions provided by the model may be utilized to improve upon the predictive capacities of existing water quality models.

Chapman, R. S.

Dominant Controls on Preferential Flow and Their Implications for Future Soil Water Fluxes

Abstract Soil water flow, particularly preferential flow (PF), is a critical control on hydrological and biogeochemical processes, including groundwater recharge, contaminant transport, and carbon cycling. However, it remains challenging to predict PF occurrence across large environmental gradients. Here, we developed a deep learning (DL) model to estimate event‐scale soil water flow velocity and the probability of PF occurrence using high‐frequency soil moisture and precipitation data from 33 sites across the National Ecological Observatory Network. The model demonstrated high skill in predicting the binary occurrence of PF (91% F1‐score; 85% accuracy) but the performance was limited in predicting soil water velocity ( R 2 = 0.31). We found that precipitation characteristics (duration, volume, and intensity) were the most important predictors for soil water velocity. Among the non‐precipitation event variables, sand content showed relatively high predictive skill, though differences among non‐event climate variables were generally modest. Lower sand content was associated with increased predicted soil water velocity, a finding that highlights the role of soil structure in producing more non‐uniform flow, which contrasts with traditional uniform flow models. Projecting a reduced DL model under both moderate and high‐emissions future climate scenarios (2060–2099 Representative Concentration Pathways 4.5 and 8.5), we found ∼7.3% increase under RCP4.5 and ∼15% under RCP8.5 of soil water velocities compared to the historical simulation, while modeled likelihood of PF changed little. These findings suggest climate change is not making PF more frequent, but it is making existing PF pathways more efficient with important consequences for associated nutrient and contaminant transport under climate change. Plain Language Summary Water movement in soil is critical for water quality. While often modeled as a uniform flow process, in reality water moves rapidly through cracks and burrows in what is called “preferential flow” (PF), which limits natural filtration and can transport pollutants. We developed a deep learning model, trained on data from 33 U.S. sites, to predict when and how fast this PF occurs based on precipitation, soil, and climate data. The model showed that precipitation characteristics (duration, intensity, volume) were the most important predictors of PF. Lower soil sand content/higher clay content was associated with faster water flow, likely due to clay soils forming aggregates and cracks that water moves through rather than infiltrating uniformly. Further analyses based on climate projections suggest that the speed at which PF occurs will become more rapid under future climate scenarios compared to historical simulation. This highlights the need to represent PF in soil water models when assessing future water quality. Key Points The effect of precipitation peak intensity on soil water velocities declined with increasing precipitation intensity Antecedent soil moisture failed to predict preferential flow (PF), contrasting the high predictive power of sand content Climate predictions suggest that soil water velocities through PF paths will increase ∼15% by 2099

Li, Bonan

Remote measurements of water pollution with a lidar polarimeter

This paper examines a dual polarization laser backscatter system as a method for remote measurements of certain water quality parameters. Analytical models for describing the backscatter from turbid water and oil on turbid water are presented and compared with experimental data. Laser backscatter field measurements from natural waterways are presented and compared with simultaneous ground observations of the water quality parameters: turbidity, suspended solids, and transmittance. The results of this study show that the analytical models appear valid and that the sensor investigated is applicable to remote measurements of these water quality parameters and oil spills on water.-

Sheives, T. C.

Remote sensing inputs to National Model Implementation Program for water resources quality improvement

The Lake Herman watershed in southeastern South Dakota has been selected as one of seven water resources systems in the United States for involvement in the National Model Implementation Program (MIP). MIP is a pilot program initiated to illustrate the effectiveness of existing water resources quality improvement programs. The Remote Sensing Institute (RSI) at South Dakota State University has produced a computerized geographic information system for the Lake Herman watershed. All components necessary for the monitoring and evaluation process were included in the data base. The computerized data were used to produce thematic maps and tabular data for the land cover and soil classes within the watershed. These data are being utilized operationally by SCS resource personnel for planning and management purposes.

Eidenshink, J. C.

Potential for monitoring soil erosion features and soil erosion modeling components from remotely sensed data

Accurate estimates of soil erosion and its effects on soil productivity are essential in agricultural decision making and planning from the field scale to the national level. Erosion models have been primarily developed for designing erosion control systems, predicting sediment yield for reservoir design, predicting sediment transport, and simulating water quality. New models proposed are more comprehensive in that the necessary components (hydrology, erosion-sedimentation, nutrient cycling, tillage, etc.) are linked in a model appropriate for studying the erosion-productivity problem. Recent developments in remote sensing systems, such as Landsat Thematic Mapper, Shuttle Imaging Radar (SIR-B), etc., can contribute significantly to the future development and operational use of these models.

Langran, K. J.

Developing lake sampling strategies with existing Landsat data

On the basis of the assumptions that Landsat image densities relate to water quality, that lake densities can be modeled, and that homogeneous water quality areas can therefore be predicted, a method is developed for the selection of optimum water quality sampling locations on Oneida Lake in central New York. Patterns of Oneida Lake density on 24 Landsat band 5 images were traced from the screen of a density slicer, and the lake was gridded into 161 1.25 X 1.25-km cells, with image density levels encoded for each cell. Cell density levels were then employed as the dependent variable in correlations and multiple regression equations with degree days, resultant wind speed, and resultant direction. Cell density levels were averaged over two-week periods, and the averages were correlated with water quality measurements.

Philipson, W. R.

Remote sensing analysis of water quality and the entrapment zone in the San Francisco Bay and delta

The author has identified the following significant results. Data from an ocean color scanner flown on a U-2 aircraft at 65,000 ft and from LANDSAT MSS were enhanced to identify biologically active areas of San Francisco Bay, and to determine the salinity, turbidity, chlorophylls, and suspended solids. The best fit regression models for mapping water quality parameters were based on bands 3, 5, 7, and 10. Comparision of the results indicate that chlorophyll concentrations can best be estimated by the OCS or MSS data. Salinity can best be estimated by OCS data; turbidity can best be estimated by LANDSAT data. Neither OCS nor MSS data provide reliable basis for estimating suspended solids. Aerial photography of the highest quality taken with either conventional color or infrared-sensitive color films was unable to locate the biologically active areas.

Colwell, R. N.

River Dissolved Oxygen Prediction Using Machine Learning Models and Wireless Sensor Measurements

Simultaneous flooding&heat and droughts&heat events can potentially destabilize hydro-meteorological conditions to deteriorate the water quality of Neches River. Machine learning (ML) models utilizing wireless sensor measurements have been applied to predict water quality and optimize various water management strategies. This study aims to develop ML models to predict dissolved oxygen (DO) prediction under various hydro-meteorological conditions and enhance water management decision-making. Wireless sensor measurements of DO, water temperature, sample depth, conductivity, turbidity, and pH, along with discharge from the United States Geological Survey stations, are collected for model inputs at the Pine Island Bayou C749 station (PIB-C749) and Neches River Saltwater Barrier (SWB). Multilayer perceptron neural networks, recurrent neural networks, long short-term memory (LSTM), and bidirectional LSTM (BiLSTM) with and without attention mechanism (AT) are tested to determine the best model, which is applied the rolling forecast method to predict 14-day DO. Traditional and recurrent transfer learning (TL and RTL) methods are adopted to overcome insufficient data at the SWB. The input feature importance analysis using the integrated gradients (IG) algorithm is applied to determine dominant inputs. The results show LSTM-based models are capable handling long sequential data. AT-BiLSTM and RTL-LSTM demonstrate the best performance at the PIB-C749 (RMSE=0.054) and the SWB (RMSE=0.028), respectively. TL and RTL methods significantly improve model performance at the SWB. DO, temperature, and pH show higher importance, consistent with hydrodynamics and water chemistry. Both best models are applied to predict 14-day DO and demonstrate reasonable performance for decision-making. Hydro-meteorological conditions of 2017 flood and 2012 drought events are simulated and reveal that possible hypoxia occurs after flooding due to increasing temperature and turbidity, and DO concentration decreases significantly under heat and drought conditions. In conclusion, LSTM-based models utilizing wireless sensor data can be a timely and effective approach to make appropriate decisions on water resource management.

54 ENVIRONMENTAL SCIENCES

Use of ocean color scanner data in water quality mapping

Remotely sensed data, in combination with in situ data, are used in assessing water quality parameters within the San Francisco Bay-Delta. The parameters include suspended solids, chlorophyll, and turbidity. Regression models are developed between each of the water quality parameter measurements and the Ocean Color Scanner (OCS) data. The models are then extended to the entire study area for mapping water quality parameters. The results include a series of color-coded maps, each pertaining to one of the water quality parameters, and the statistical analysis of the OCS data and regression models. It is found that concurrently collected OCS data and surface truth measurements are highly useful in mapping the selected water quality parameters and locating areas having relatively high biological activity. In addition, it is found to be virtually impossible, at least within this test site, to locate such areas on U-2 color and color-infrared photography.

Khorram, S.

Biological indicators for monitoring water quality of MTF canals system

Biological models, diversity indexes, were developed to predict environmental effects of NASA's Mississippi test facility (MTF) chemical operations on canal systems in the area. To predict the effects on local streams, a physical model of unpolluted streams was established. The model is fed by artesian well water free of background levels of pollutants. The species diversity and biota composition of unpolluted MTF stream was determined; resulting information will be used to form baseline data for future comparisons. Biological modeling was accomplished by adding controlled quantities or kinds of chemical pollutants and evaluating the effects of these chemicals on the biological life of the stream.

Sethi, S. L.

Water resources planning for rivers draining into mobile bay

A hydrodynamic model describing water movement and tidal elevation is formulated, computed, and used to provide basic data about water quality in natural systems. The hydrodynamic model is based on two-dimensional, unsteady flow equations. The water mass is considered to be reasonably mixed such that integration (averaging) in the depth direction is a valid restriction. Convective acceleration, the Coriolis force, wind and bottom interactions are included as contributing terms in the momentum equations. The solution of the equations is applied to Mobile Bay, and used to investigate the influence that river discharge rate, wind direction and speed, and tidal condition have on water circulation and holdup within the bay. Storm surge conditions, oil spill transport, artificial island construction, dredging, and areas subject to flooding are other topics which could be investigated using the mathematical modeling approach.

Ng, S.

Quantifying Groundwater Response and Uncertainty in Beaver‐Influenced Mountainous Floodplains Using Machine Learning‐Based Model Calibration

Abstract Beavers ( Castor canadensis ) alter river corridor hydrology by creating ponds and inundating floodplains, and thereby improving surface water storage. However, the impact of inundation on groundwater, particularly in mountainous alluvial floodplains with permeable gravel/cobble layers overlain by a soil layer, remains uncertain. Numerical modeling across various floodplain structures considers topographic and sediment complexity and multidirectional flow, linking inundation to groundwater response. This study develops a model‐data integration workflow to address uncertainty in groundwater response to beaver‐induced inundations in a mountainous alluvial floodplain in the Upper Colorado River Basin. Uncertain factors include seasonal hydrologic dynamics, hydraulic conductivities, floodplain structures, and meteorological forcings. We employed an ensemble of groundwater models, based on geophysical and hydrologic data, with machine learning‐based calibration using a neural density estimator. This allowed us to quantify the vertical flux from the soil layer to the permeable gravel bed, the down‐valley underflow within the gravel bed, and their ratios. Results show a significant increase in the vertical flux relative to down‐valley underflow, from 2 during dry pond periods to 20 during wet periods, serving as an analogy for conditions without and with beaver ponds. The study highlights the influence of floodplain structure on groundwater storage, water balance, and water quality impacted by beaver ponds. A thick gravel bed layer, with a large down‐valley underflow, minimizes the effect of beaver‐induced inundation on water quality. We emphasize the need for field‐scale measurements of floodplain structure and improved characterization of evapotranspiration changes to reduce uncertainty in groundwater response. Plain Language Summary Beavers change the flow of water in river corridors by creating ponds, expanding wetlands, and flooding floodplains. This increases surface water area, promotes plant growth, and enhances biodiversity. However, the impact of this flooding on groundwater flow is not well understood, especially in mountainous areas with gravel layers where water moves easily beneath soil. In this study, we used numerical modeling to investigate how beaver ponds influence groundwater in a mountainous floodplain of the Upper Colorado River Basin. We adapted a machine learning method to validate our numerical models using multiple field data sets. Our findings show that beaver ponds significantly increase vertical water flow from the soil to the gravel during wet periods, compared to when the ponds are fully drained. The study also highlights the importance of floodplain structure in controlling both water flow in gravel layers along the river direction and vertical flow from the soil to the gravel with the presence of beavers. To reduce uncertainty in groundwater response, we emphasize the need for more field‐scale measurements of floodplain structure, hydraulic properties, and evapotranspiration changes. Key Points Floodplain structures and hydraulic conductivities are important for groundwater response with beaver ponds in mountainous floodplains Large down‐valley underflow in permeability‐stratified floodplains reduces beaver‐induced impacts on groundwater storage and water quality Machine learning‐based model calibration methods are effective for estimating posterior distributions of groundwater model parameters

Wang, Lijing