From hydrological laws to catchment models: A process-based model matches deep-learning accuracy on three continents

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.

Hydrologic models must reconcile predictive flexibility with physical interpretability, yet the complexity required to reproduce catchment dynamics remains uncertain. Here we compare conceptual hydrologic models and neural networks built from mass-conserving computational units across 513 catchments in the contiguous United States, varying state dimensionality and cross-state information sharing. Under likelihood-based selection, median testing-period Kling-Gupta efficiency skill score (KGEss) increases from 0.83 with one allowable state to 0.89 with two, but reaches only 0.90 with five. KGE-based selection shows similarly rapid saturation. Cross-state information sharing provides an additional source of predictive skill: sharing-enabled candidate spaces restricted to two states outperform non-sharing spaces allowing up to five states, with lower median errors in five of six hydrologic diagnostics. Although likelihood- and KGE-based criteria favor different architectures, both preserve the same structural relationships. Conceptual and neural formulations likewise select different specific architectures but retain the same state dimensionality in 75% of catchments. These findings indicate that effective hydrologic representations are low-dimensional but interaction-dependent, while predictive success alone does not uniquely identify physical storage structures.

Calibrating distributed hydrologic models is a critical bottleneck across operational water resources management - streamflow prediction, reservoir operation, drought monitoring, infrastructure design, and flood forecasting all depend on it. Each basin demands an expert to translate hydrograph signatures into adjustments of a high-dimensional parameter vector, and the resulting workflow does not transfer between watersheds. We ask: can frontier large language model (LLM) agents replace the human hydrologic modeler, and if not, what would it take? We benchmark nine frontier LLM agents - Claude Opus 4.6/4.7, Sonnet 4.6, GPT-5/5.4/5.4-pro, and Gemini 2.5-pro/3.1-pro/3-flash - on the operational CREST distributed hydrologic model used by the U.S. National Weather Service for flash-flood forecasting. Best-of-twenty-rounds Nash-Sutcliffe Efficiency (NSE) across four held-out gauges spanning 329-40,792 km2 ranges from -0.16 (GPT-5.4) to 0.75 (Sonnet 4.6); the ceiling reproduces across all three vendors and capability tiers, with the strongest models concentrating in the 0.65-0.75 band, and no model reaches the human-expert reference except Opus-4.7 on one gauge. We argue this gap is not a parameter-count problem but a domain-grounding problem. We then propose HYDROAGENT, fine-tuning open-weight Qwen3-4B with supervised fine-tuning on 2,576 expert calibration trajectories and Group-Relative Policy Optimization using NSE as a verifiable reward from online CREST simulations - reinforcement learning with simulation feedback (RLSF). For Earth system science, a small domain-tuned policy with simulator-in-the-loop RL is a more compute-efficient and physically faithful path than scaling generic frontier models, and the multi-modal richness of Earth data - remote sensing, in-situ time series, and forecaster narrative - makes domain agents a leveraged direction for AI in physical science.