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Inverse Neural Operator for ODE Parameter Optimization

About

We propose the Inverse Neural Operator (INO), a two-stage framework for recovering hidden ODE parameters from sparse, partial observations. In Stage 1, a Conditional Fourier Neural Operator (C-FNO) with cross-attention learns a differentiable surrogate that reconstructs full ODE trajectories from arbitrary sparse inputs, suppressing high-frequency artifacts via spectral regularization. In Stage 2, an Amortized Drifting Model (ADM) learns a kernel-weighted velocity field in parameter space, transporting random parameter initializations toward the ground truth without backpropagating through the surrogate, avoiding the Jacobian instabilities that afflict gradient-based inversion in stiff regimes. Experiments on a real-world stiff atmospheric chemistry benchmark (POLLU, 25 parameters) and a synthetic Gene Regulatory Network (GRN, 40 parameters) show that INO outperforms gradient-based and amortized baselines in parameter recovery accuracy while requiring only 0.23s inference time, a 487x speedup over iterative gradient descent.

Zhi-Song Liu, Wenqing Peng, Helmi Toropainen, Ammar Kheder, Andreas Rupp, Holger Froning, Xiaojie Lin, Michael Boy• 2026

Related benchmarks

TaskDatasetResultRank
ODE Parameter RecoveryPOLLU 25 parameters
Mean Error0.0117
9
ODE Parameter RecoveryGRN 40 parameters
Mean Error0.0084
9
ODE Trajectory FittingPOLLU 25 parameters
MSE0.0559
9
ODE Trajectory FittingGRN 40 parameters
MSE0.0322
9
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