Perspectives on the integration between first-principles and data-driven modeling

W Bradley, J Kim, Z Kilwein, L Blakely… - Computers & Chemical …, 2022 - Elsevier
Efficiently embedding and/or integrating mechanistic information with data-driven models is
essential if it is desired to simultaneously take advantage of both engineering principles and …

Guarantees for data-driven control of nonlinear systems using semidefinite programming: A survey

T Martin, TB Schön, F Allgöwer - Annual Reviews in Control, 2023 - Elsevier
This survey presents recent research on determining control-theoretic properties and
designing controllers with rigorous guarantees using semidefinite programming and for …

Bayesian optimization of high‐entropy alloy compositions for electrocatalytic oxygen reduction

JK Pedersen, CM Clausen, OA Krysiak… - Angewandte …, 2021 - Wiley Online Library
Active, selective and stable catalysts are imperative for sustainable energy conversion, and
engineering materials with such properties are highly desired. High‐entropy alloys (HEAs) …

A survey of constrained Gaussian process regression: Approaches and implementation challenges

LP Swiler, M Gulian, AL Frankel, C Safta… - Journal of Machine …, 2020 - dl.begellhouse.com
Gaussian process regression is a popular Bayesian framework for surrogate modeling of
expensive data sources. As part of a broader effort in scientific machine learning, many …

Prognostics of Lithium-Ion batteries using knowledge-constrained machine learning and Kalman filtering

G Bai, Y Su, MM Rahman, Z Wang - Reliability Engineering & System Safety, 2023 - Elsevier
Accurately predicting the remaining useful life (RUL) of lithium-ion rechargeable batteries
remains challenging as the battery capacity degrades in a stochastic manner given the …

Practical and rigorous uncertainty bounds for Gaussian process regression

C Fiedler, CW Scherer, S Trimpe - … of the AAAI conference on artificial …, 2021 - ojs.aaai.org
Gaussian Process regression is a popular nonparametric regression method based on
Bayesian principles that provides uncertainty estimates for its predictions. However, these …

Modeling and interpolation of the ambient magnetic field by Gaussian processes

A Solin, M Kok, N Wahlström… - IEEE Transactions on …, 2018 - ieeexplore.ieee.org
Anomalies in the ambient magnetic field can be used as features in indoor positioning and
navigation. By using Maxwell's equations, we derive and present a Bayesian nonparametric …

Learning differentiable solvers for systems with hard constraints

G Négiar, MW Mahoney, AS Krishnapriyan - arXiv preprint arXiv …, 2022 - arxiv.org
We introduce a practical method to enforce partial differential equation (PDE) constraints for
functions defined by neural networks (NNs), with a high degree of accuracy and up to a …

Gaussian process priors for systems of linear partial differential equations with constant coefficients

M Harkonen, M Lange-Hegermann… - … on machine learning, 2023 - proceedings.mlr.press
Partial differential equations (PDEs) are important tools to model physical systems and
including them into machine learning models is an important way of incorporating physical …

Constraining Gaussian processes to systems of linear ordinary differential equations

A Besginow… - Advances in Neural …, 2022 - proceedings.neurips.cc
Data in many applications follows systems of Ordinary Differential Equations (ODEs). This
paper presents a novel algorithmic and symbolic construction for covariance functions of …