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Howard, Amanda A. (ORCID:0000000264116198)

Publications and source records attributed to Howard, Amanda A. (ORCID:0000000264116198).

E-PINNs: Epistemic Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) have demonstrated promise as a framework for solving forward and inverse problems involving partial differential equations. Despite recent progress in the field, it remains challenging to quantify uncertainty in these networks. While techniques such as Bayesian PINNs (B-PINNs) provide a principled approach to capturing epistemic uncertainty through Bayesian inference, they can be computationally expensive for large-scale applications. In this work, we propose Epistemic Physics-Informed Neural Networks (E-PINNs), a framework that uses a small network, the epinet, to efficiently quantify epistemic uncertainty in PINNs. The proposed approach works as an add-on to existing, pre-trained PINNs with a small computational overhead. We demonstrate the applicability of the proposed framework in various test cases and compare the results with B-PINNs using Hamiltonian Monte Carlo (HMC) posterior estimation and dropout-equipped PINNs (Dropout-PINNs). In our experiments, E-PINNs achieve calibrated coverage with competitive sharpness at substantially lower cost. We demonstrate that when B-PINNs produce narrower bands, they under-cover in our tests. E-PINNs also show better calibration than Dropout-PINNs in these examples, indicating a favorable accuracy-efficiency trade-off.

AI for Science↗

Conformalized-KANs: Uncertainty Quantification with Coverage Guarantees for Kolmogorov-Arnold Networks (KANs) in Scientific Machine Learning

This paper explores uncertainty quantification (UQ) methods in the context of Kolmogorov–Arnold Networks (KANs). We apply an ensemble approach to KANs to obtain a heuristic measure of UQ, enhancing interpretability and robustness in modeling complex functions. Building on this, we introduce Conformalized-KANs, which integrate conformal prediction, a distribution-free UQ technique, with KAN ensembles to generate calibrated prediction intervals with guaranteed coverage.} Extensive numerical experiments are conducted to evaluate the effectiveness of these methods, focusing particularly on the robustness and accuracy of the prediction intervals under various hyperparameter settings. We show that the conformal KAN predictions can be applied to recent extensions of KANs, including Finite Basis KANs (FBKANs) and multifideilty KANs (MFKANs). The results demonstrate the potential of our approaches to significantly improve the reliability and applicability of KANs in scientific machine learning.

• Artificial intelligence (AI) / machine learning ↗

Non-local model for surface tension in fluid-fluid simulations

We propose a non-local model for surface tension obtained in the form of an integral of a molecular-force-like function with support 3.5e added to the Navier-Stokes momentum conservation equation. We demonstrate analytically and numerically that with the non-local model interfaces with a radius of curvature larger than the support length behave macroscopically and microscopically, otherwise. For static droplets, the pressure difference Pe,in - Pe,out satisfies the Young-Laplace law for droplet radius greater than 3.5e and other- wise deviates from the Young-Laplace law. The latter indicates that the surface tension in the proposed model decreases with decreasing radius of curvature, which agrees with molecular dynamics and experimental studies of nanodroplets. Using the non-local model we perform numerical simulations of droplets under dynamic conditions, including a rising droplet, a droplet in shear flow, and two colliding droplets in shear flow, and compare results with a standard Navier-Stokes model subject to the Young-Laplace boundary condition at the fluid-fluid interface implemented via the Conservative Level Set (CLS) method. We find good agreement with existing numerical methods and analytical results for a rising macroscopic droplet and a droplet in a shear flow. For colliding droplets in shear flow, the non- local model converges (with respect to the grid size) to the correct behavior, including sliding, coalescence, and merging and breaking of two droplets depending on the capillary number. In contrast, we find that the results of the CLS model are highly grid-size dependent.

Howard, Amanda A.↗