Search Results for author: Juan M. Bello-Rivas

Found 10 papers, 3 papers with code

Micro-Macro Consistency in Multiscale Modeling: Score-Based Model Assisted Sampling of Fast/Slow Dynamical Systems

no code implementations10 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.

Tipping Points of Evolving Epidemiological Networks: Machine Learning-Assisted, Data-Driven Effective Modeling

no code implementations1 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.

Tasks Makyth Models: Machine Learning Assisted Surrogates for Tipping Points

no code implementations25 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.

Gaussian Processes

On Equivalent Optimization of Machine Learning Methods

no code implementations17 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.

Gentlest ascent dynamics on manifolds defined by adaptively sampled point-clouds

1 code implementation9 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.

Data-driven Discovery of Chemotactic Migration of Bacteria via Machine Learning

no code implementations25 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.

GANs and Closures: Micro-Macro Consistency in Multiscale Modeling

no code implementations23 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.

Dimensionality Reduction Protein Folding

Learning Effective SDEs from Brownian Dynamics Simulations of Colloidal Particles

1 code implementation30 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.

Dimensionality Reduction

Staying the course: Locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds

1 code implementation21 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 $X$.

On the Correspondence between Gaussian Processes and Geometric Harmonics

no code implementations5 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.

Bayesian Optimization Dimensionality Reduction +2

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