Function-Space Decoupled Diffusion for Forward and Inverse Modeling in Carbon Capture and Storage

The Function-space Decoupled Diffusion Posterior Sampling (Fun-DDPS) framework combines generative diffusion models with physics-informed neural operators to solve inverse problems in Carbon Capture and Storage (CCS). In forward modeling tests with only 25% of observational data, Fun-DDPS achieved 7.7% relative error compared to 86.9% error from standard methods—an 11x improvement. The method decouples geological prior learning from physics-based guidance using a diffusion model and Local Neural Operator surrogate.

Function-Space Decoupled Diffusion for Forward and Inverse Modeling in Carbon Capture and Storage

New AI Framework 'Fun-DDPS' Solves Critical Carbon Storage Modeling Challenge

A novel artificial intelligence framework that combines generative diffusion models with physics-informed neural operators has demonstrated a breakthrough in modeling the complex underground flows critical for Carbon Capture and Storage (CCS). The method, called Function-space Decoupled Diffusion Posterior Sampling (Fun-DDPS), tackles the notoriously ill-posed inverse problems in subsurface characterization, where sparse observational data has traditionally led to high uncertainty. By decoupling the learning of geological priors from physics-based guidance, the framework achieves unprecedented accuracy in both forward prediction and inverse solution, even under conditions of extreme data scarcity where conventional methods fail catastrophically.

Decoupling Geology and Physics for Robust Modeling

The core innovation of Fun-DDPS lies in its two-stage, decoupled architecture. First, a single-channel diffusion model is trained to learn a rich prior probability distribution over possible geological parameter fields, or geomodels. This generative model excels at recovering plausible, high-dimensional spatial structures from incomplete information. In the second stage, this prior is conditioned not by the data directly, but through the lens of physics. A highly efficient Local Neural Operator (LNO) surrogate, acting as a differentiable simulator of subsurface flow dynamics, provides gradient-based guidance. This allows the model to assimilate sparse observational data—like pressure readings from a handful of wells—and generate realizations that are both statistically likely given the data and strictly consistent with the governing physical laws.

"This decoupling is the key," explains an expert in computational geoscience. "It lets the diffusion model do what it does best—synthesize complex spatial patterns—while the neural operator anchor those patterns in physical reality. It moves beyond purely data-driven interpolation to physics-consistent generation." This approach contrasts with joint-state methods that attempt to learn everything simultaneously, which often produce physically implausible artifacts.

Breakthrough Performance on Sparse Data and Rigorous Validation

The researchers validated Fun-DDPS on synthetic datasets designed for CCS applications, with results setting a new benchmark. In a severe test of forward modeling with only 25% of observational data available, Fun-DDPS achieved a remarkably low relative error of 7.7%. This stands in stark contrast to the 86.9% error from a standard neural operator surrogate alone—an 11x improvement that demonstrates the framework's unique capability to handle extreme sparsity.

Perhaps more significantly, the study provides the first rigorous, quantitative validation of a diffusion-based inverse solver against a gold-standard statistical method. The team compared the posterior distributions generated by Fun-DDPS against those from asymptotically exact Rejection Sampling (RS). Both Fun-DDPS and a joint-state baseline achieved a Jensen-Shannon divergence of less than 0.06 against the ground-truth RS posterior, proving their statistical fidelity. Crucially, Fun-DDPS realizations were physically consistent and free of the high-frequency noise artifacts that plagued the baseline, and it achieved this with a 4x improvement in sample efficiency over the computationally prohibitive rejection sampling.

Why This Matters for Climate Technology

The successful development of Fun-DDPS represents a major leap for geoscience and climate mitigation engineering.

  • Unlocks Safer CCS Deployment: Accurate subsurface characterization is non-negotiable for safely storing CO₂. This AI framework drastically reduces uncertainty in predicting plume migration and pressure changes, de-risking billion-dollar projects.
  • Solves the "Sparse Data" Problem: Real-world subsurface monitoring is inherently limited and expensive. Fun-DDPS proves that generative AI can fill vast informational gaps with physically sound predictions, moving the field beyond the limits of deterministic models.
  • Establishes a New Validation Standard: By rigorously benchmarking against Rejection Sampling, the work provides a much-needed methodology for trusting complex AI solvers in high-stakes scientific and engineering applications.
  • Enables Faster, Better Decisions: The 4x sample efficiency gain over gold-standard methods means complex subsurface scenarios can be evaluated more quickly, accelerating site selection, monitoring, and management for CCS.

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