Spectral-Embedded Operator Learning for Three-Phase Interfacial Flow: A Ternary Cahn-Hilliard-Navier-Stokes Benchmark

Operator-learning surrogates have been benchmarked largely on single-field, single-interface problems, leaving unclear whether architectural choices validated in those settings transfer to constrained, multiphase flows. We introduce a three-phase interfacial-flow benchmark to examine whether the trunk coordinate representation matters for a multi-channel, interface-dominated target. The configuration consists of an air bubble rising through water, piercing a water-oil interface, and entraining a water plume into the oil within a bounded, wall-confined domain. Reference data are generated using a structure-preserving ternary Cahn-Hilliard-Navier-Stokes solver that algebraically preserves the simplex constraint. From 1,024 Sobol-sampled simulations spanning a nine-dimensional parameter space, we learn the mapping from physical parameters to five-channel space-time fields. We compare three parameter-matched DeepONet variants differing only in trunk representation: raw coordinates (DeepONet), random Fourier features (FEDONet), and a fixed tensor-product Chebyshev dictionary (SEDONet). SEDONet reduces the test relative L2 error by 16.8% compared with FEDONet and by 24.0% compared with DeepONet, while improving all five output channels. Spatial and temporal error analyses localize the principal gains near the diffuse interfaces and after bubble breakthrough. The results indicate that the Chebyshev representation is particularly effective for the strongly non-periodic wall-normal and temporal structure of this three-phase flow.

Towards Fast GNN Surrogates for CO2 Migration in Complex Geological Formations

This chapter discusses how a data-driven machine learning approach can reproduce key aspects of the physical behavior of multiphase flows in complex geological formations. We propose an end-to-end graph neural surrogate tailored to CO$_2$ plume migration forecasting in geological storage. The method is evaluated on the SPE11A benchmark, a well-known industry test case designed to assess CO$_2$ storage scenarios and characterized by sharp gas-water interfaces, strong advective transport, and rapid convective mixing with fingering development. The benchmark is reformulated as a graph in which nodes represent computational cells and edges encode transmissibility-based interactions enriched with geometric attributes. Directional transport arising from grid geometry, permeability contrasts, and geological heterogeneity is captured through an anisotropic message-passing mechanism, where interaction weights are computed via geometry-conditioned edge embeddings, biasing message aggregation toward physically relevant transport directions. Temporal evolution is modeled in latent space using an autoregressive residual formulation trained with multi-step supervision. The proposed model produces competitive forecasts of gas saturation and liquid-phase density, which are key indicators for CO$_2$ storage monitoring, with cumulative errors that remain moderate over extended forecasting horizons.