Hoshin V. Gupta

Yuan-Heng Wang, Hoshin V. Gupta

Although decades of effort have been devoted to building Physical-Conceptual (PC) models for predicting the time-series evolution of geoscientific systems, recent work shows that Machine Learning (ML) based Gated Recurrent Neural Network technology can be used to develop models that are much more accurate. However, the difficulty of extracting physical understanding from ML-based models complicates their utility for enhancing scientific knowledge regarding system structure and function. Here, we propose a physically-interpretable Mass Conserving Perceptron (MCP) as a way to bridge the gap between PC-based and ML-based modeling approaches. The MCP exploits the inherent isomorphism between the directed graph structures underlying both PC models and GRNNs to explicitly represent the mass-conserving nature of physical processes while enabling the functional nature of such processes to be directly learned (in an interpretable manner) from available data using off-the-shelf ML technology. As a proof of concept, we investigate the functional expressivity (capacity) of the MCP, explore its ability to parsimoniously represent the rainfall-runoff (RR) dynamics of the Leaf River Basin, and demonstrate its utility for scientific hypothesis testing. To conclude, we discuss extensions of the concept to enable ML-based physical-conceptual representation of the coupled nature of mass-energy-information flows through geoscientific systems.

Luis A. De la Fuente, Hernan A. Moreno, Laura V. Alvarez et al.

Interpreting complex datasets remains a major challenge for scientists, particularly due to high dimensionality and collinearity among variables. We introduce a novel application of Kolmogorov-Arnold Networks (KANs) to enhance interpretability and parsimony beyond what traditional correlation analyses offer. We present two interpretable, color-coded visualization tools: the Pairwise KAN Matrix (PKAN) and the Multivariate KAN Contribution Matrix (MKAN). PKAN characterizes nonlinear associations between pairs of variables, while MKAN serves as a nonlinear feature-ranking tool that quantifies the relative contributions of inputs in predicting a target variable. These tools support pre-processing (e.g., feature selection, redundancy analysis) and post-processing (e.g., model explanation, physical insights) in model development workflows. Through experimental comparisons, we demonstrate that PKAN and MKAN yield more robust and informative results than Pearson Correlation and Mutual Information. By capturing the strength and functional forms of relationships, these matrices facilitate the discovery of hidden physical patterns and promote domain-informed model development.

Mohammad A. Farmani, Hoshin V. Gupta, Ali Behrangi et al.

Machine learning models can achieve high predictive accuracy in hydrological applications but often lack physical interpretability. The Mass-Conserving Perceptron (MCP) provides a physics-aware artificial intelligence (AI) framework that enforces conservation principles while allowing hydrological process relationships to be learned from data. In this study, we investigate how progressively embedding physically meaningful representations of hydrological processes within a single MCP storage unit improves predictive skill and interpretability in rainfall-runoff modeling. Starting from a minimal MCP formulation, we sequentially introduce bounded soil storage, state-dependent conductivity, variable porosity, infiltration capacity, surface ponding, vertical drainage, and nonlinear water-table dynamics. The resulting hierarchy of process-aware MCP models is evaluated across 15 catchments spanning five hydroclimatic regions of the continental United States using daily streamflow prediction as the target. Results show that progressively augmenting the internal physical structure of the MCP unit generally improves predictive performance. The influence of these process representations is strongly hydroclimate dependent: vertical drainage substantially improves model skill in arid and snow-dominated basins but reduces performance in rainfall-dominated regions, while surface ponding has comparatively small effects. The best-performing MCP configurations approach the predictive skill of a Long Short-Term Memory benchmark while maintaining explicit physical interpretability. These results demonstrate that embedding hydrological process constraints within AI architectures provides a promising pathway toward interpretable and process-aware rainfall-runoff modeling.

Yuan-Heng Wang, Hoshin V. Gupta

Due largely to challenges associated with physical interpretability of machine learning (ML) methods, and because model interpretability is key to credibility in management applications, many scientists and practitioners are hesitant to discard traditional physical-conceptual (PC) modeling approaches despite their poorer predictive performance. Here, we examine how to develop parsimonious minimally-optimal representations that can facilitate better insight regarding system functioning. The term minimally-optimal indicates that the desired outcome can be achieved with the smallest possible effort and resources, while parsimony is widely held to support understanding. Accordingly, we suggest that ML-based modeling should use computational units that are inherently physically-interpretable, and explore how generic network architectures comprised of Mass-Conserving-Perceptron can be used to model dynamical systems in a physically-interpretable manner. In the context of spatially-lumped catchment-scale modeling, we find that both physical interpretability and good predictive performance can be achieved using a distributed-state network with context-dependent gating and information sharing across nodes. The distributed-state mechanism ensures a sufficient number of temporally-evolving properties of system storage while information-sharing ensures proper synchronization of such properties. The results indicate that MCP-based ML models with only a few layers (up to two) and relativity few physical flow pathways (up to three) can play a significant role in ML-based streamflow modelling.

Yuan-Heng Wang, Yang Yang, Fabio Ciulla et al.

While many modern studies are dedicated to ML-based large-sample hydrologic modeling, these efforts have not necessarily translated into predictive improvements that are grounded in enhanced physical-conceptual understanding. Here, we report on a CONUS-wide large-sample study (spanning diverse hydro-geo-climatic conditions) using ML-augmented physically-interpretable catchment-scale models of varying complexity based in the Mass-Conserving Perceptron (MCP). Results were evaluated using attribute masks such as snow regime, forest cover, and climate zone. Our results indicate the importance of selecting model architectures of appropriate model complexity based on how process dominance varies with hydrological regime. Benchmark comparisons show that physically-interpretable mass-conserving MCP-based models can achieve performance comparable to data-based models based in the Long Short-Term Memory network (LSTM) architecture. Overall, this study highlights the potential of a theory-informed, physically grounded approach to large-sample hydrology, with emphasis on mechanistic understanding and the development of parsimonious and interpretable model architectures, thereby laying the foundation for future models of everywhere that architecturally encode information about spatially- and temporally-varying process dominance.

Yuan-Heng Wang, Hoshin V. Gupta

We investigate the applicability of machine learning technologies to the development of parsimonious, interpretable, catchment-scale hydrologic models using directed-graph architectures based on the mass-conserving perceptron (MCP) as the fundamental computational unit. Here, we focus on architectural complexity (depth) at a single location, rather than universal applicability (breadth) across large samples of catchments. The goal is to discover a minimal representation (numbers of cell-states and flow paths) that represents the dominant processes that can explain the input-state-output behaviors of a given catchment, with particular emphasis given to simulating the full range (high, medium, and low) of flow dynamics. We find that a HyMod Like architecture with three cell-states and two major flow pathways achieves such a representation at our study location, but that the additional incorporation of an input-bypass mechanism significantly improves the timing and shape of the hydrograph, while the inclusion of bi-directional groundwater mass exchanges significantly enhances the simulation of baseflow. Overall, our results demonstrate the importance of using multiple diagnostic metrics for model evaluation, while highlighting the need for properly selecting and designing the training metrics based on information-theoretic foundations that are better suited to extracting information across the full range of flow dynamics. This study sets the stage for interpretable regional-scale MCP-based hydrological modeling (using large sample data) by using neural architecture search to determine appropriate minimal representations for catchments in different hydroclimatic regimes.

Mohammad Reza Ehsani, Ariyan Zarei, Hoshin V. Gupta et al.

Accurate and timely estimation of precipitation is critical for issuing hazard warnings (e.g., for flash floods or landslides). Current remotely sensed precipitation products have a few hours of latency, associated with the acquisition and processing of satellite data. By applying a robust nowcasting system to these products, it is (in principle) possible to reduce this latency and improve their applicability, value, and impact. However, the development of such a system is complicated by the chaotic nature of the atmosphere, and the consequent rapid changes that can occur in the structures of precipitation systems In this work, we develop two approaches (hereafter referred to as Nowcasting-Nets) that use Recurrent and Convolutional deep neural network structures to address the challenge of precipitation nowcasting. A total of five models are trained using Global Precipitation Measurement (GPM) Integrated Multi-satellitE Retrievals for GPM (IMERG) precipitation data over the Eastern Contiguous United States (CONUS) and then tested against independent data for the Eastern and Western CONUS. The models were designed to provide forecasts with a lead time of up to 1.5 hours and, by using a feedback loop approach, the ability of the models to extend the forecast time to 4.5 hours was also investigated. Model performance was compared against the Random Forest (RF) and Linear Regression (LR) machine learning methods, and also against a persistence benchmark (BM) that used the most recent observation as the forecast. Independent IMERG observations were used as a reference, and experiments were conducted to examine both overall statistics and case studies involving specific precipitation events. Overall, the forecasts provided by the Nowcasting-Net models are superior, with the Convolutional Nowcasting Network with Residual Head (CNC-R) achieving 25%, 28%, and 46% improvement in the test ...