VIBES -- A Two-Stage Scalable Bayesian Uncertainty Quantification Framework: Application to a Biomass Valorization Process

Poulomi Das, Angan Mukherjee, Debangsu Bhattacharyya

This paper proposes Variational Inference-based Bayesian Estimation with Sobol screening (VIBES), a two-stage scalable framework for Bayesian uncertainty quantification (UQ). The proposed approach combines Sobol global sensitivity analysis (GSA) for screening and dimensionality reduction, followed by variational inference (VI) for UQ of kinetic, design/operational, and economic parameters. In the first stage, Sobol GSA is performed to identify dominant variables and parameters governing uncertainty in process outputs. In the second stage, Bayesian inference is performed only on the reduced dimensional space using VI, thus reducing computational burden and enhancing scalability. The framework is demonstrated on a process for bioadhesive production through base-catalyzed depolymerization of kraft lignin and subsequent crosslinking with isolated soy protein. A Python-Aspen interface is developed for automated simulation and parameter estimation, enabling Bayesian calibration through stochastic gradient-based optimization and automatic-differentiation. The methodology is generic and readily generalizable to other biomass conversion pathways. The results show that application of VIBES consistently reduces predictive uncertainty bounds across all model outputs by more than 80%, even when only the reduced-space input variables and parameters are optimized during Bayesian estimation. The framework can be potentially applied for scalable, uncertainty-aware decision-making in high-dimensional, complex chemical process systems.