no code implementations • 10 Dec 2023 • Ellis R. Crabtree, Juan M. Bello-Rivas, Ioannis G. Kevrekidis
A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is not, however, without challenges.
no code implementations • 1 Nov 2023 • Nikolaos Evangelou, Tianqi Cui, Juan M. Bello-Rivas, Alexei Makeev, Ioannis G. Kevrekidis
We study the tipping point collective dynamics of an adaptive susceptible-infected-susceptible (SIS) epidemiological network in a data-driven, machine learning-assisted manner.
no code implementations • 25 Sep 2023 • Gianluca Fabiani, Nikolaos Evangelou, Tianqi Cui, Juan M. Bello-Rivas, Cristina P. Martin-Linares, Constantinos Siettos, Ioannis G. Kevrekidis
We present a machine learning (ML)-assisted framework bridging manifold learning, neural networks, Gaussian processes, and Equation-Free multiscale modeling, for (a) detecting tipping points in the emergent behavior of complex systems, and (b) characterizing probabilities of rare events (here, catastrophic shifts) near them.
no code implementations • 17 Feb 2023 • William T. Redman, Juan M. Bello-Rivas, Maria Fonoberova, Ryan Mohr, Ioannis G. Kevrekidis, Igor Mezić
Our data-driven approach is general and can be utilized broadly to compare the optimization of machine learning methods.
1 code implementation • 9 Feb 2023 • Juan M. Bello-Rivas, Anastasia Georgiou, Hannes Vandecasteele, Ioannis G. Kevrekidis
Finding saddle points of dynamical systems is an important problem in practical applications such as the study of rare events of molecular systems.
no code implementations • 25 Aug 2022 • Yorgos M. Psarellis, Seungjoon Lee, Tapomoy Bhattacharjee, Sujit S. Datta, Juan M. Bello-Rivas, Ioannis G. Kevrekidis
The resulting data-driven PDE can then be simulated to reproduce/predict computational or experimental bacterial density profile data, and estimate the underlying (unmeasured) chemonutrient field evolution.
no code implementations • 23 Aug 2022 • Ellis R. Crabtree, Juan M. Bello-Rivas, Andrew L. Ferguson, Ioannis G. Kevrekidis
In this work, we present an approach that couples physics-based simulations and biasing methods for sampling conditional distributions with ML-based conditional generative adversarial networks for the same task.
1 code implementation • 30 Apr 2022 • Nikolaos Evangelou, Felix Dietrich, Juan M. Bello-Rivas, Alex Yeh, Rachel Stein, Michael A. Bevan, Ioannis G. Kevrekidis
We construct a reduced, data-driven, parameter dependent effective Stochastic Differential Equation (eSDE) for electric-field mediated colloidal crystallization using data obtained from Brownian Dynamics Simulations.
1 code implementation • 21 Apr 2022 • Juan M. Bello-Rivas, Anastasia Georgiou, John Guckenheimer, Ioannis G. Kevrekidis
As in the Euclidean case, generalized isoclines of generic vector fields $X$ are smooth curves that connect equilibria of $X$.
no code implementations • 5 Oct 2021 • Felix Dietrich, Juan M. Bello-Rivas, Ioannis G. Kevrekidis
We discuss the correspondence between Gaussian process regression and Geometric Harmonics, two similar kernel-based methods that are typically used in different contexts.