iPINN for Broadband CARS Phase Retrieval: A Framework for Function Approximation and Inverse Modeling Problems in Nonlinear Spectroscopy
Authors: Ravi Teja Vulchi, Carl Messerschmidt, Mohammadsadegh Vafaeinezhad, Rajendhar Junjuri, Tobias Meyer-Zedler, Juergen Popp, Thomas Bocklitz
Organizations: Institute of Physical Chemistry (IPC) and Abbe Center of Photonics (ACP), Friedrich Schiller University Jena, Member of the Leibniz Centre for Photonics in Infection Research · Leibniz Institute of Photonic Technology, Member of Leibniz Health Technologies, Member of the Leibniz Centre for Photonics in Infection Research (LPI)
Abstract
Phase retrieval in broadband coherent anti-Stokes Raman spectroscopy (BCARS) is an ill-posed inverse problem. The Raman-like signal is encoded in the imaginary part of the resonant susceptibility, which mixes coherently with a non-resonant background (NRB) that varies across acquisitions. We introduce an inverse physics-informed neural network (iPINN) that predicts Lorentzian peak parameters from raw BCARS spectra and reconstructs the resonant susceptibility through a differentiable analytical forward model. A transformer encoder assigns spectral features to 24 learnable peak slots, and a multi-view consistency loss enforces invariance across NRB pattern, NRB strength, and noise. Unlike direct spectral regression approaches, the method retains accuracy under varying acquisition conditions. On a public benchmark, iPINN achieves the lowest error among the tested baselines (MAE 0.016 vs. next-best 0.046). On 28 zero-shot test spectra acquired across seven solvents and four focal positions, accuracy is depth-invariant in five of seven solvents. These results show that inverse parametric prediction with a differentiable physical decoder supports robust phase retrieval across measurement conditions.
We propose a linearized Physics-Informed Neural Network (lPINN), a reduced-order neural basis method for forward and inverse differential equations. In an offline stage, lPINN learns operator-compatible continuous neural basis functions from an ensemble of numerical solutions. The basis functions are differentiable through automatic differentiation and are pretrained using solution data together with either derivative information or physics residuals. For each new problem instance, the basis functions are frozen and the solution is obtained by minimizing the governing-equation residual together with applicable initial, boundary, regularization, and observational terms. Unlike surrogate and operator-learning methods, the training data define the trial space offline, while the instance-specific solution is computed online by enforcing the governing physics. Relative to vanilla PINNs, lPINN pretrains the nonlinear hidden-layer representation offline and performs online inference only in the final linear layer. We evaluate lPINN on forward and inverse problems for the advection-diffusion equation, Burgers' equation, and the nonlinear pendulum equation. Compared with vanilla PINNs, lPINN achieves lower solution and parameter errors while reducing online inference times by approximately one to more than three orders of magnitude, with the largest gains generally observed for limited residual or measurement data. Cross-resolution experiments show that the learned continuous representation can be evaluated on finer meshes without retraining and with nearly unchanged accuracy.
Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution. In practice, these constitutive quantities are rarely known a priori and must be inferred from limited dynamical observations. In this work, an extended pseudo-spectral physics-informed neural network (ESPINN) framework is developed for the inverse identification of phase-field models from transient snapshot data. It enables the simultaneous recovery of both the bulk chemical potential and unknown gradient coefficients. Numerical experiments on the one-dimensional Cahn-Hilliard equation demonstrate accurate and statistically stable reconstruction in the noiseless regime, with substantial constitutive information recoverable from even a single snapshot pair. In the presence of noise, reconstruction accuracy degrades gracefully, and increasing the number of snapshots improves robustness by reducing variance across runs. These results establish ESPINN as a data-efficient and physically consistent approach for learning free-energy structure in continuum models of phase separation.
Nonlinear system identification must balance physical interpretability with model flexibility. Classical methods yield structured, control-relevant models but rely on rigid parametric forms that often miss complex nonlinearities, whereas Neural ODEs are expressive yet largely black-box. Physics-Informed Neural Networks (PINNs) sit between these extremes, but inverse PINNs typically assume a known governing equation with fixed coefficients, leading to identifiability failures when the true dynamics are unknown or state-dependent. We propose \textbf{SOLIS}, which models unknown dynamics via a \emph{state-conditioned second-order surrogate model} and recasts identification as learning a Quasi-Linear Parameter-Varying (Quasi-LPV) representation, recovering interpretable natural frequency, damping, and gain without presupposing a global equation. SOLIS decouples trajectory reconstruction from parameter estimation and stabilizes training with a cyclic curriculum and \textbf{Local Physics Hints} windowed ridge-regression anchors that mitigate optimization collapse. Experiments on benchmarks show accurate parameter-manifold recovery and coherent physical rollouts from sparse data, including regimes where standard inverse methods fail.