Efficient Constant Optimization for Symbolic Regression with GPU-Accelerated Tree-Based Genetic Programming

Constant optimization refines the numerical coefficients of candidate expressions in tree-based genetic programming for symbolic regression. But its per-generation cost has led modern GPU-accelerated frameworks to omit it or restrict it to lightweight forms. We present a GPU-resident, batched Levenberg--Marquardt solver that optimizes constants across a structurally heterogeneous population of expression trees using a fixed number of population-wide CUDA launches per iteration. Reverse-mode automatic differentiation assembles the per-tree Jacobian in one backward sweep, making the dominant per-iteration cost independent of the number of constants per tree, and a double-precision delivery guard guarantees that returned constants are never worse than their initial values. On early-generation populations, the solver sustains up to $5.1{\times}10^{5}$ trees per second on an NVIDIA A100; at a GPU-saturated benchmark configuration it delivers roughly $9.9{\times}$ the throughput of Operon running on a 64-core EPYC 7763, while matching fp64-reference quality. Integrated in-process into EvoGP, the solver enables end-to-end search to recover governing equations on $10$ of $18$ constructed problems versus 0 for stock EvoGP. Our code is at https://github.com/TensorConv/CuSR.

Alternating Levenberg-Marquardt Training of Physics-Informed Neural Networks with Fourier-Enhanced Features

Physics-informed neural networks (PINNs) often fail to accurately resolve partial differential equations (PDEs) with high-frequency or multi-scale solutions, as well as strongly nonlinear problems. Two factors underlie this difficulty: spectral bias, the tendency of neural networks to underfit high-frequency features; and representation-coefficient coupling, the entanglement of representation learning and coefficient fitting within a single nonconvex optimization objective. In this work, we propose the Fourier-enhanced alternating Levenberg--Marquardt PINN (FALM-PINN), an optimization framework that decouples representation learning from coefficient fitting. The upper-level problem learns a Fourier-enhanced basis that enriches the latent space with high-frequency components, while the lower-level problem resolves the coupling by fitting the projection coefficients on this basis, solving a nonlinear least-squares problem with the Levenberg--Marquardt algorithm. The framework applies to general nonlinear and coupled PDE systems, and reduces to a single-step convex optimization problem for linear PDEs. We prove global convergence of the alternating training scheme in both cases. Numerical examples on multiple challenging high-frequency and nonlinear PDEs show that FALM-PINN achieves relative $L^2$ errors up to two orders of magnitude lower than state-of-the-art baselines.

Higher-Order Geometric Updates for Levenberg-Marquardt Method via Riemann Normal Coordinates

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.