Inverse Neural Operator for ODE Parameter Optimization

Fuente: arXiv
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Autori principali: Liu, Zhi-Song, Peng, Wenqing, Toropainen, Helmi, Kheder, Ammar, Rupp, Andreas, Froning, Holger, Lin, Xiaojie, Boy, Michael
Natura: Preprint
Pubblicazione: 2026
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author Liu, Zhi-Song
Peng, Wenqing
Toropainen, Helmi
Kheder, Ammar
Rupp, Andreas
Froning, Holger
Lin, Xiaojie
Boy, Michael
author_facet Liu, Zhi-Song
Peng, Wenqing
Toropainen, Helmi
Kheder, Ammar
Rupp, Andreas
Froning, Holger
Lin, Xiaojie
Boy, Michael
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2603_11854
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Inverse Neural Operator for ODE Parameter Optimization
Liu, Zhi-Song
Peng, Wenqing
Toropainen, Helmi
Kheder, Ammar
Rupp, Andreas
Froning, Holger
Lin, Xiaojie
Boy, Michael
Machine Learning
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.
title Inverse Neural Operator for ODE Parameter Optimization
topic Machine Learning
url https://arxiv.org/abs/2603.11854