We propose QGPINNs, a physics-informed neural network framework developed in PyTorch for the numerical solution of nonlocal differential equations on quantum graphs. The framework is designed as a general computational implementation in which the solution on each edge of the graph is approximated by a neural network, while a unified graph-based loss function enforces the governing equations together with initial, boundary, and vertex transmission conditions. In particular, the formulation incorporates standard continuity and Kirchhoff-Neumann vertex conditions and Dirichlet boundary conditions into the learning process to couple the local edge-wise neural approximations into a global solution on the graph. The framework is developed for two representative classes of nonlinear models: multi-order fractional elliptic problems and time-fractional evolution equations on quantum graphs. To improve accuracy and training stability, QGPINNs integrates several graph-adapted learning strategies, including soft and hard constraint enforcement, dynamic loss balancing, Fourier feature embeddings, and a learnable singularity-capturing feature for weakly singular solutions arising in the considered problems. The framework also extends naturally to inverse problems, including the identification of the orders of fractional operators and physical parameters from noisy observational data. We validate the accuracy, computational efficiency, and physical consistency of the proposed framework through numerical experiments on benchmark graph structures and real-world networks, including the IEEE 14-bus system and an open-channel agricultural drainage network.
Transient-stability assessment determines whether a power system can recover after a disturbance and is therefore essential to preventing generator trips and cascading outages. A key metric is the critical clearing time (CCT), which specifies the maximum time available to clear a fault before synchronism is lost. Reliable CCT estimation is challenging because complicated fault-clearing dynamics require repeated simulations over many fault severities and clearing times. We propose an event-structured physics-informed neural network (ES-PINN) that aligns its representation with the pre-fault, fault-on, and post-clearing swing dynamics and enforces exact state chaining across event interfaces. A smooth trajectory-induced stability margin defines a differentiable approximation of the CCT boundary, enabling accurate boundary extraction, local sensitivity analysis, and optional direct CCT prediction through a distilled readout. We further prove a local residual-to-trajectory-to-CCT error estimate, in which exact event chaining eliminates separate state-interface defect terms. Experiments on IEEE 9-, 14-, and 30-bus systems show that ES-PINN consistently improves held-out trajectory and stability-boundary accuracy over matched neural-surrogate baselines across mechanical and electrical contingencies with multiple clearing configurations. Additional full-network DAE validation, multi-fault experiments, and runtime analyses further demonstrate the effectiveness and computational efficiency of the proposed framework.
Jianing Liu, Dong H. Zhangcs.LG math.NA physics.chem-ph physics.comp-ph physics.data-an
Nonlinear least-squares optimization is central to regression, physics-informed neural networks, and other machine-learning tasks. Such problems have a natural geometric interpretation, model predictions form a manifold in data space, while the chosen parameterization can introduce parameter-effects curvature that becomes a dominant source of nonlinearity. This exposes a limitation of the Levenberg-Marquardt (LM) method, its tangent-space step is applied as a straight update in parameter coordinates. Geodesic acceleration gives a second-order correction, but its removal of parameter-effect curvature is exact only in the infinitesimal-step limit. We propose a Riemann-normal-coordinate Levenberg-Marquardt method (RNC-LM) to improve this consistency for finite optimization steps. By reformulating the geodesic equation, RNC-LM extends geodesic acceleration to arbitrary-order corrections and constructs finite-step updates with progressively higher reparameterization consistency. A line search along the resulting RNC curve controls the traveled distance while keeping the cost close to standard LM. The method eliminates the tangential component of residual acceleration order by order in a moving tangent frame, making the actual objective reduction more consistent with the linear model prediction of LM. On classical nonlinear least-squares benchmarks, RNC-LM improves convergence and robustness in curved valleys and rank-deficient problems. On a reaction-diffusion PINN failure-mode benchmark, it reduces the relative L2 error to the order of 1e-3 and recovers a physically meaningful solution. On a large-scale machine-learning potential-energy-surface fitting task, it achieves a 34-fold speedup over standard LM.
Scientific Machine Learning (SciML) methods such as Neural Ordinary Differential Equations (NODEs), Physics-Informed Neural Networks (PINNs), and Universal Differential Equations (UDEs) are most effective when structural priors reflect reliable governing dynamics. We ask what happens when this assumption is violated. Using macroeconomic forecasting as a stress-test domain, we evaluate five model families, ARIMA, LSTM, NODE, PINN, and UDE, across 23 countries using sparse annual data, multiple temporal splits, and five random seeds. Our results show that none of the evaluated models achieve consistently strong forecasting performance, highlighting the difficulty of low-frequency macroeconomic prediction. However, a clear relative hierarchy emerges: less-constrained models, particularly ARIMA and NODE, consistently outperform more-constrained heuristic-prior models such as PINN and UDE. Rather than treating this as a rejection of SciML, we interpret it as a diagnostic result: structural priors can act as misregularizers when they do not match the data-generating process. We identify failure modes including prior misalignment, regime shifts, structural breaks, and optimization instability, and argue that SciML practitioners should test whether structure helps before assuming that more structure is beneficial.
This study develops a two-domain physics-informed neural network framework for contaminant transport through a GCL/SL composite liner system, in which the thin GCL layer is treated using a steady-state advection-dispersion-biodegradation formulation and the underlying soil liner is modeled as a transient transport domain. Two formulations are evaluated against analytical and finite-element reference solutions under different leachate-head conditions: a standard PINN with soft constraint enforcement (Std-PINN) and a hard-constrained PINN (H-PINN), in which selected boundary and initial conditions are embedded directly into the trial solutions. The Std-PINN captures the overall breakthrough behavior but shows larger errors during the early transport stage, particularly under higher leachate heads where advective transport becomes more pronounced. The H-PINN reduces the optimization burden associated with penalty-based constraint enforcement and provides more accurate and stable concentration predictions, lowering the MAE from approximately 0.058-0.067 for the Std-PINN to about 0.011-0.023 for the H-PINN, while reducing the MRE from approximately 9.10%-19.16% to about 2.08%-3.14%. Parametric analyses confirm that the H-PINN with the tanh activation function and an optimized network structure provides the best predictive accuracy. The H-PINN is further extended to inverse modeling for identifying the SL degradation half-life from limited concentration observations, showing reliable convergence toward prescribed values and acceptable robustness under low-to-moderate observation noise.