MS166 - Uncertainty-aware Machine Learning Surrogates for Scientific Applications
Keywords: Forward & Inverse UQ, High-Dimensional Problems, multifidelity surrogates, scientific machine learning, surrogate models
Computational science and engineering applications have benefited from surrogate modeling brought by significant advances in machine learning (ML). By design, these flexible and high-capacity models are able to capture nonlinear and multiscale behavior present in complex physical phenomena. However, training ML-based surrogates for scientific applications often faces the challenges of limited, noisy, or biased data, whether from experiments or high-fidelity simulations. Thus, uncertainty quantification (UQ) becomes a necessary component in both training these models and generating trustworthy predictions, e.g. in digital twin frameworks and decision-making under uncertainty. To tackle these challenges we welcome submissions that include topics related to:
• Surrogate construction in and discovery of low-dimensional latent spaces
and low-rank approximations,
• Hierarchical surrogate models, e.g. mixture of experts,
• Surrogate models equipped with UQ via Bayesian approximations,
• Generative or stochastic surrogate models, both supervised and unsupervised,
• Forward propagation of surrogate uncertainties into quantities of interest,
e.g. via optimal transport or normalizing flows,
• Uncertainty attribution and sensitivity analysis with respect to input uncertainties and surrogate errors,
• Probabilistic models for AI agents.
