Performance evaluation of deep learning based stream nitrate concentration prediction model to fill stream nitrate data gaps at low-frequency nitrate monitoring basins.

Accurate and frequent nitrate estimates can provide valuable information on the nitrate transport dynamics. The study aimed to develop a data-driven modeling framework to estimate daily nitrate concentrations at low-frequency nitrate monitoring sites using the daily nitrate concentration and stream discharge information of a neighboring high-frequency nitrate monitoring site. A Long Short-Term Memory (LSTM) based deep learning (DL) modeling framework was developed to predict daily nitrate concentrations. The DL modeling framework performance was compared with two well-established statistical models, including LOADEST and WRTDS-Kalman, in three selected basins in Iowa, USA: Des Moines, Iowa, and Cedar River. The developed DL model performed well with NSE >0.70 and KGE >0.70 for 67% and 79% nitrate monitoring sites, respectively. DL and WRTDS-Kalman models performed better than the LOADEST in nitrate concentration and load estimation for all low-frequency sites. The average NSE performance of the DL model in daily nitrate estimation is 20% higher than that of the WRTDS-Kalman model at 18 out of 24 sites (75%). The WRTDS-Kalman model showed unrealistic fluctuations in the estimated daily nitrate time series when the model received limited observed nitrate data (less than 50) for simulation. The DL model indicated superior performance in winter months' nitrate prediction (60% of cases) compared to WRTDS-Kalman models (33% of cases). The DL model also better represented the exceedance days from the USEPA maximum contamination level (MCL). Both the DL and WRTDS-Kalman models demonstrated similar performance in annual stream nitrate load estimation, and estimated values are close to actual nitrate loads.

A deep learning-based novel approach to generate continuous daily stream nitrate concentration for nitrate data-sparse watersheds.

High-frequency stream nitrate concentration provides critical insights into nutrient dynamics and can help to improve the effectiveness of management decisions to maintain a sustainable ecosystem. However, nitrate monitoring is conventionally conducted through lab analysis using in situ water samples and is typically at coarse temporal resolution. In the last decade, many agencies started collecting high-frequency (5-60 min intervals) nitrate data using optical sensors. The hypothesis of the study is that the data-driven models can learn the trend and temporal variability in nitrate concentration from high-frequency sensor-based nitrate data in the region and generate continuous nitrate data for unavailable data periods and data-limited locations. A Long Short-Term Memory (LSTM) model-based framework was developed to estimate continuous daily stream nitrate for dozens of gauge locations in Iowa, USA. The promising results supported the hypothesis; the LSTM model demonstrated median test-period Nash-Sutcliffe efficiency (NSE) = 0.75 and RMSE = 1.53 mg/L for estimating continuous daily nitrate concentration in 42 sites, which are unprecedented performance levels. Twenty-one sites (50 % of all sites) and thirty-four sites (76 % of all sites) demonstrated NSE > 0.75 and 0.50, respectively. The average nitrate concentration of neighboring sites was identified as a crucial determinant of continuous daily nitrate concentration. Seasonal model performance evaluation showed that the model performed effectively in the summer and fall seasons. About 26 sites showed correlations >0.60 between estimated nitrate concentration and discharge. The concentration-discharge (c-Q) relationship analysis showed that the study watersheds had four dominant nitrate transport patterns from landscapes to streams with increasing discharge, including the flushing pattern being the most dominant one. Stream nitrate estimation impedes due to data inadequacy. The modeling framework can be used to generate temporally continuous nitrate at nitrate data-limited regions with a nearby sensor-based nitrate gauge. Watershed planners and policymakers could utilize the continuous nitrate data to gain more information on the regional nitrate status and design conservation practices accordingly.

Nitrate concentrations predominantly driven by human, climate, and soil properties in US rivers.

Nitrate is one of the most widespread and persistent pollutants in our time. Our understanding of nitrate dynamics has advanced substantially in the past decades, although its predominant drivers across gradients of climate, land use, and geology have remained elusive. Here we collated nitrate data from 2061 rivers along with 32 watershed characteristic indexes and developed machine learning models to reconstruct long-term mean (multi-year average) nitrate concentrations in the contiguous United States (CONUS). The trained models show similarly satisfactory model performance and can predict nitrate concentrations in chemically-ungauged places with about 70% accuracy. Further analysis revealed that five (out of 32) indexes (drivers) can explain about 70% of spatial variations in mean nitrate concentrations. The five influential drivers are nitrogen application rates Nrate and urban area Aurban% (human drivers), mean annual precipitation and temperature (climate drivers), and sand percent Sand% (soil property driver). Nitrate concentrations in undeveloped sites are primarily modulated by climate and soil property; they decrease with increasing mean discharge and Sand%. Nitrate concentrations in agriculture and urban sites increase with Nrate and Aurban% until reaching their apparent maxima around 10,000 kg/km2/yr and around 25%, respectively. Results indicate that nitrate concentrations may remain similar or increase with growing human population. In addition, nitrate concentrations can increase even without human input, as warming escalates water demand and reduces mean discharge in many places. These results allude to a conceptual model that highlights the impacts of distinct drivers: while human drivers predominate nitrogen input to land and rivers, climate drivers and soil properties modulate its transport and transformation, the balance of which determine long-term mean concentrations. Such mechanism-based insights and forecasting capabilities are essential for water management as we expect changing climate and growing agriculture and urbanization.

From calibration to parameter learning: Harnessing the scaling effects of big data in geoscientific modeling.

The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from observations to unobserved variables via model physics, but traditional calibration is highly inefficient and results in non-unique solutions. Here we propose a novel differentiable parameter learning (dPL) framework that efficiently learns a global mapping between inputs (and optionally responses) and parameters. Crucially, dPL exhibits beneficial scaling curves not previously demonstrated to geoscientists: as training data increases, dPL achieves better performance, more physical coherence, and better generalizability (across space and uncalibrated variables), all with orders-of-magnitude lower computational cost. We demonstrate examples that learned from soil moisture and streamflow, where dPL drastically outperformed existing evolutionary and regionalization methods, or required only ~12.5% of the training data to achieve similar performance. The generic scheme promotes the integration of deep learning and process-based models, without mandating reimplementation.

Critical Risk Indicators (CRIs) for the electric power grid: a survey and discussion of interconnected effects.

The electric power grid is a critical societal resource connecting multiple infrastructural domains such as agriculture, transportation, and manufacturing. The electrical grid as an infrastructure is shaped by human activity and public policy in terms of demand and supply requirements. Further, the grid is subject to changes and stresses due to diverse factors including solar weather, climate, hydrology, and ecology. The emerging interconnected and complex network dependencies make such interactions increasingly dynamic, posing novel risks, and presenting new challenges to manage the coupled human-natural system. This paper provides a survey of models and methods that seek to explore the significant interconnected impact of the electric power grid and interdependent domains. We also provide relevant critical risk indicators (CRIs) across diverse domains that may be used to assess risks to electric grid reliability, including climate, ecology, hydrology, finance, space weather, and agriculture. We discuss the convergence of indicators from individual domains to explore possible systemic risk, i.e., holistic risk arising from cross-domain interconnections. Further, we propose a compositional approach to risk assessment that incorporates diverse domain expertise and information, data science, and computer science to identify domain-specific CRIs and their union in systemic risk indicators. Our study provides an important first step towards data-driven analysis and predictive modeling of risks in interconnected human-natural systems.

From Hydrometeorology to River Water Quality: Can a Deep Learning Model Predict Dissolved Oxygen at the Continental Scale?

Dissolved oxygen (DO) reflects river metabolic pulses and is an essential water quality measure. Our capabilities of forecasting DO however remain elusive. Water quality data, specifically DO data here, often have large gaps and sparse areal and temporal coverage. Earth surface and hydrometeorology data, on the other hand, have become largely available. Here we ask: can a Long Short-Term Memory (LSTM) model learn about river DO dynamics from sparse DO and intensive (daily) hydrometeorology data? We used CAMELS-chem, a new data set with DO concentrations from 236 minimally disturbed watersheds across the U.S. The model generally learns the theory of DO solubility and captures its decreasing trend with increasing water temperature. It exhibits the potential of predicting DO in "chemically ungauged basins", defined as basins without any measurements of DO and broadly water quality in general. The model however misses some DO peaks and troughs when in-stream biogeochemical processes become important. Surprisingly, the model does not perform better where more data are available. Instead, it performs better in basins with low variations of streamflow and DO, high runoff-ratio (>0.45), and winter precipitation peaks. Results here suggest that more data collections at DO peaks and troughs and in sparsely monitored areas are essential to overcome the issue of data scarcity, an outstanding challenge in the water quality community.

Pore-scale controls on calcite dissolution rates from flow-through laboratory and numerical experiments.

A combination of experimental, imaging, and modeling techniques were applied to investigate the pore-scale transport and surface reaction controls on calcite dissolution under elevated pCO2 conditions. The laboratory experiment consisted of the injection of a solution at 4 bar pCO2 into a capillary tube packed with crushed calcite. A high resolution pore-scale numerical model was used to simulate the experiment based on a computational domain consisting of reactive calcite, pore space, and the capillary wall constructed from volumetric X-ray microtomography images. Simulated pore-scale effluent concentrations were higher than those measured by a factor of 1.8, with the largest component of the discrepancy related to uncertainties in the reaction rate model and its parameters. However, part of the discrepancy was apparently due to mass transport limitations to reactive surfaces, which were most pronounced near the inlet where larger diffusive boundary layers formed around grains and in slow-flowing pore spaces that exchanged mass by diffusion with fast flow paths. Although minor, the difference between pore- and continuum-scale results due to transport controls was discernible with the highly accurate methods employed and is expected to be more significant where heterogeneity is greater, as in natural subsurface materials.

Evaluating bacteriophage P22 as a tracer in a complex surface water system: the Grand River, Michigan.

Viruses are important pathogens in both marine and fresh water environments. There is a strong interest in using bacteriophages as tracers because of their role as model viruses, since dissolved chemical tracers may not adequately describe the behavior of viruses that are suspended colloids. Despite a large number of studies that examined the transport of bacteriophages in the subsurface environment, few studies examined phage transport in large and complex surface water systems. In this paper we report the results of a dual tracer study on a 40 km reach of the Grand River, the longest river in Michigan, and we examine the performance of bacteriophage P22 relative to a chemical tracer (Rhodamine WT). Our analysis based on the transient storage (TS) model indicated that P22 can be successfully used as a tracer in complex surface water environments. Estimated P22 inactivation rates were found to be in the range 0.27-0.57 per day (0.12-0.25 log10 per day). The highest inactivation rate was found in a reach with high suspended solids concentration, relatively low dissolved organic carbon content, and sediment with high clay content. Estimated TS model parameters for both tracers were found to be consistent with surficial geology and land use patterns. Maximum storage zone sizes for the two tracers were found in different river reaches, indicating that different processes contributed to TS within the same reach for the two tracers. This model can be used to examine the arrival times and concentrations of human viral pathogens released from untreated sewage at recreational areas.