Differentiable Chemistry in PINNs for Solving Parameterized and Stiff Reaction Systems

Physics-informed neural networks (PINNs) incorporate governing equations into neural-network training and can approximate PDE solutions without requiring large observational datasets. Parameterized PINNs (ParamPINNs) further take physical parameters as inputs, allowing a single model to represent a family of PDE solutions over a parameter domain. Existing ParamPINNs, however, still face inefficient training, uneven accuracy across parameters, and overfitting to a limited set of sampled parameter tasks, which can impair generalization to unsampled parameters. To address these issues, we propose a continual-learning physics-informed neural network (CL-PINN), which treats PDE instances at different parameter values as related tasks and learns them sequentially. CL-PINN combines Bayesian-optimization-based active parameter selection, task-wise dynamic loss weighting, sparse physics-constrained replay, and an optional parameter subnetwork to improve task allocation and knowledge retention under bounded active-task capacity. It requires no observational data and is designed to solve parameterized PDEs over relatively broad parameter domains under limited computational resources. Multi-seed evaluations on five benchmarks, including one continuous function and four parameterized PDEs, show that Bayesian selection substantially reduces objective-loss queries relative to grid-greedy search, while sparse replay mitigates forgetting of earlier tasks. Under the prescribed within-case resource protocols, CL-PINN generally provides higher and more balanced solution accuracy than fixed-sampling and grid-greedy baselines. CL-PINN offers a practical route toward learning PDE solutions that generalize across physical parameters and has the potential to support reusable physics-informed surrogates for large-scale engineering parameter studies.

Physics-Informed Neural Networks (PINNs) solve differential equations by minimizing the residual of a nonlinear operator over a neural parameterization of the solution. However, monolithic PINNs often suffer from ill-conditioning, spectral bias, and optimization instability. We introduce a variational boosting framework in which solutions are constructed additively in function space. Each stage trains a weak learner whose converged correction satisfies a local orthogonality condition, equivalent to a projected functional gradient descent step onto the tangent space of the network's function manifold. Because each correction network is deliberately small, the restricted minimization admits full Newton or conjugate gradient updates, which are typically infeasible in large PINNs. The resulting method separates global nonlinear refinement into a sequence of well-conditioned subproblems while preserving the full variational structure of the operator. This framework provides a geometric interpretation of multi-stage PINNs as projected functional gradient descent and enables stable second-order optimization for nonlinear differential equations.

Physics-informed neural networks (PINNs) provide a powerful framework for learning governing equations of dynamical systems from data. Biologically-informed neural networks (BINNs) are a variant of PINNs that preserve the known differential operator structure (e.g., reaction-diffusion) while learning constitutive terms via trainable neural subnetworks, enforced through soft residual penalties. Existing BINN studies are limited to $1\mathrm{D}{+}t$ reaction-diffusion systems and focus on forward prediction, using the governing partial differential equation as a regulariser rather than an explicit identification target. Here, we extend BINNs to $2\mathrm{D}{+}t$ systems within a PINN framework that combines data preprocessing, BINN-based equation learning, and symbolic regression post-processing for closed-form equation discovery. We demonstrate the framework's real-world applicability by learning the governing equations of lung cancer cell population dynamics from time-lapse microscopy data, recovering $2\mathrm{D}{+}t$ reaction-diffusion models from experimental observations. The proposed framework is readily applicable to other spatio-temporal systems, providing a practical and interpretable tool for fast analytic equation discovery from data.