Learning stiff chemical kinetics using extended deep neural operators

S Goswami, AD Jagtap, H Babaee, BT Susi… - Computer Methods in …, 2024 - Elsevier
We utilize neural operators to learn the solution propagator for challenging systems of
differential equations that are representative of stiff chemical kinetics. Specifically, we apply …

Broad fractional-order echo state network with slime mould algorithm for multivariate time series prediction

X Yao, H Wang, Z Huang - Applied Soft Computing, 2024 - Elsevier
In this paper, considering the infinite memory capability of fractional-order differential
equations and the advantages of broad echo state network, a broad fractional-order echo …

A neural-mechanistic hybrid approach improving the predictive power of genome-scale metabolic models

L Faure, B Mollet, W Liebermeister… - Nature Communications, 2023 - nature.com
Constraint-based metabolic models have been used for decades to predict the phenotype of
microorganisms in different environments. However, quantitative predictions are limited …

Investigating the Surrogate Modeling Capabilities of Continuous Time Echo State Networks

S Bhatnagar - Mathematical and Computational Applications, 2024 - mdpi.com
Continuous Time Echo State Networks (CTESNs) are a promising yet under-explored
surrogate modeling technique for dynamical systems, particularly those governed by stiff …

Composable and reusable neural surrogates to predict system response of causal model components

R Anantharaman, A Abdelrehim… - AAAI 2022 Workshop …, 2021 - openreview.net
Surrogate models, or machine learning based emulators of simulators, have been shown to
be a powerful tool for accelerating simulations. However, capturing the system response of …

Active Learning Enhanced Surrogate Modeling of Jet Engines in JuliaSim

A Abdelrehim, D Gandhi, S Yalburgi… - AIAA SCITECH 2025 …, 2025 - arc.aiaa.org
Surrogate models are effective tools for accelerated design of complex systems. The result
of a design optimization procedure using surrogate models can be used to initialize an …

Fourier-enhanced Neural Networks for Systems Biology Applications

E Xu, M Chen - arxiv preprint arxiv:2502.07129, 2025 - arxiv.org
In the field of systems biology, differential equations are commonly used to model biological
systems, but solving them for large-scale and complex systems can be computationally …

High-Fidelity Accelerated Design of High-performance Electrochemical Systems

V Viswanathan - 2024 - osti.gov
Large-scale electrification is vital to addressing the climate crisis, but several scientific and
technological challenges remain to fully electrify both the chemical industry and …

[BOOK][B] Approximation of Large Stiff Acausal Models

R Anantharaman - 2023 - search.proquest.com
Simulations drive mission-critical decision making in many fields, but are prone to
computational intractability, which severely limits an engineer's productivity whilst designing …