Water retention curves (WRCs) and hydraulic conductivity functions (HCFs) are critical soil‐specific characteristics necessary for modeling the movement of water in soils using the Richardson‐Richards equation (RRE). Well‐established laboratory measurement methods of WRCs and HCFs are not usually suitable for simulating field‐scale soil moisture dynamics because of the scale mismatch. Hence, the inverse solution of the RRE must be used to estimate WRCs and HCFs from field measured data. Here, we propose a physics‐informed neural network (PINN) framework for the inverse solution of the RRE and the estimation of WRCs and HCFs from only volumetric water content (VWC) measurements. The proposed framework does not need initial and boundary conditions, which are rarely available in real applications. The PINNs consist of three linked feedforward neural networks, two of which were constrained to be monotonic functions to reflect the monotonicity of WRCs and HCFs. Alternatively, we also tested PINNs without monotonicity constraints. We trained the PINNs using synthetic VWC data with artificial noise, derived by a numerical solution of the RRE for three soil textures. The monotonicity constraints regularized the inverse problem. The PINNs were able to reconstruct the true VWC dynamics. We demonstrated that the PINNs could recover the underlying WRCs and HCFs in nonparametric form. However, the reconstructed WRCs and HCFs at wet and dry ends were unsatisfactory because of the strong nonlinearity. We additionally showed that the trained PINNs could estimate soil water flux density with a broader range of estimation than the currently available methods.

<p>Process-Based Modeling (PBM) and Machine Learning (ML) are often perceived as distinct paradigms in the geosciences. Here we present differentiable geoscientific modeling as a powerful pathway toward dissolving the perceived barrier between them and ushering in a paradigm shift. For decades, PBM offered benefits in interpretability and physical consistency but struggled to efficiently leverage large datasets. ML methods, especially deep networks, presented strong predictive skills yet lacked the ability to answer specific scientific questions. While various methods have been proposed for ML-physics integration, an important underlying theme  — differentiable modeling — is not sufficiently recognized. Here we outline the concepts, applicability, and significance of differentiable geoscientific modeling (DG). “Differentiable” refers to accurately and efficiently calculating gradients with respect to model variables, critically enabling the learning of high-dimensional unknown relationships. DG refers to a range of methods connecting varying amounts of prior knowledge to neural networks and training them together, capturing a different scope than physics-guided machine learning and emphasizing first principles. In this talk we provide examples of DG in global hydrology, ecosystem modeling, water quality simulations, etc. Preliminary evidence suggests DG offers better interpretability and causality than ML, improved generalizability and extrapolation capability, and strong potential for knowledge discovery, while approaching the performance of purely data-driven ML. DG models require less training data while scaling favorably in performance and efficiency with increasing amounts of data. With DG, geoscientists may be better able to frame and investigate questions, test hypotheses, and discover unrecognized linkages. </p>

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Abstract. Modeling water flow in unsaturated soils is vital for describing various hydrological and ecological phenomena. Soil water dynamics is described by well-established physical laws (Richardson–Richards equation – RRE). Solving the RRE is difficult due to the inherent nonlinearity of the processes, and various numerical methods have been proposed to solve the issue. However, applying the methods to practical situations is very challenging because they require well-defined initial and boundary conditions. Recent advances in machine learning and the growing availability of soil moisture data provide new opportunities for addressing the lingering challenges. Specifically, physics-informed machine learning allows both the known physics and data-driven modeling to be taken advantage of. Here, we present a physics-informed neural network (PINN) method that approximates the solution to the RRE using neural networks while concurrently matching available soil moisture data. Although the ability of PINNs to solve partial differential equations, including the RRE, has been demonstrated previously, its potential applications and limitations are not fully known. This study conducted a comprehensive analysis of PINNs and carefully tested the accuracy of the solutions by comparing them with analytical solutions and accepted traditional numerical solutions. We demonstrated that the solutions by PINNs with adaptive activation functions are comparable with those by traditional methods. Furthermore, while a single neural network (NN) is adequate to represent a homogeneous soil, we showed that soil moisture dynamics in layered soils with discontinuous hydraulic conductivities are correctly simulated by PINNs with domain decomposition (using separate NNs for each unique layer). A key advantage of PINNs is the absence of the strict requirement for precisely prescribed initial and boundary conditions. In addition, unlike traditional numerical methods, PINNs provide an inverse solution without repeatedly solving the forward problem. We demonstrated the application of these advantages by successfully simulating infiltration and redistribution constrained by sparse soil moisture measurements. As a free by-product, we gain knowledge of the water flux over the entire flow domain, including the unspecified upper and bottom boundary conditions. Nevertheless, there remain challenges that require further development. Chiefly, PINNs are sensitive to the initialization of NNs and are significantly slower than traditional numerical methods.

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Abstract. Modeling water flow in unsaturated soils is vital for describing various hydrological and ecological phenomena. Soil water dynamics is described by well-established physical laws (Richardson-Richards equation (RRE)). Solving the RRE is difficult due to the inherent non-linearity of the processes, and various numerical methods have been proposed to solve the issue. However, applying the methods to practical situations is very challenging because they require well-defined initial and boundary conditions. Recent advances in machine learning and the growing availability of soil moisture data provide new opportunities for addressing the lingering challenges. Specifically, physics-informed machine learning allows taking advantage of both the known physics and data-driven modeling. Here, we present a physics-informed neural networks (PINNs) method that approximates the solution to the RRE using neural networks while concurrently matching available soil moisture data. Although the ability of PINNs to solve partial differential equations, including the RRE, has been demonstrated previously, its potential applications and limitations are not fully known. This study conducted a comprehensive analysis of PINNs and carefully tested the accuracy of the solutions by comparing them with analytical solutions and accepted traditional numerical solutions. We demonstrated that the solutions by PINNs with adaptive activation functions are comparable with those by traditional methods. Furthermore, while a single neural network (NN) is adequate to represent a homogeneous soil, we showed that soil moisture dynamics in layered soils with discontinuous hydraulic conductivities are correctly simulated by PINNs with domain decomposition (using separate NNs for each unique layer). A key advantage of PINNs is the absence of the strict requirement for precisely prescribed initial and boundary conditions. In addition, unlike traditional numerical methods, PINNs provide an inverse solution without repeatedly solving the forward problem. We demonstrated the application of these advantages by successfully simulating infiltration and redistribution constrained by sparse soil moisture measurements. As a free by-product, we gain knowledge of the water flux over the entire flow domain, including the unspecified upper and bottom boundary conditions. Nevertheless, there remain challenges that require further development. Chiefly, PINNs are sensitive to the initialization of NNs and are significantly slower than traditional numerical methods.

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