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Model predictive control (MPC) schemes have a proven track record for delivering aggressive and robust performance in many challenging control tasks, coping with nonlinear system dynamics, constraints, and observational noise. Despite their…

Robotics · Computer Science 2024-01-24 Lucas Barcelos , Alexander Lambert , Rafael Oliveira , Paulo Borges , Byron Boots , Fabio Ramos

We explore efficient estimation of statistical quantities, particularly rare event probabilities, for stochastic reaction networks. Consequently, we propose an importance sampling (IS) approach to improve the Monte Carlo (MC) estimator…

Numerical Analysis · Mathematics 2024-03-12 Chiheb Ben Hammouda , Nadhir Ben Rached , Raúl Tempone , Sophia Wiechert

We demonstrate that embedding physics-driven constraints into machine learning process can dramatically improve accuracy and generalizability of the resulting model. Physics-informed learning is illustrated on the example of analysis of…

Computational Physics · Physics 2021-12-16 Abantika Ghosh , Mohannad Elhamod , Jie Bu , Wei-Cheng Lee , Anuj Karpatne , Viktor A Podolskiy

This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…

We consider chance-constrained problems with discrete random distribution. We aim for problems with a large number of scenarios. We propose a novel method based on the stochastic gradient descent method which performs updates of the…

Optimization and Control · Mathematics 2019-05-28 Lukáš Adam , Martin Branda

Combining physics with machine learning models has advanced the performance of machine learning models in many different applications. In this paper, we evaluate adding a weak physics constraint, i.e., a physics-based empirical…

Geophysics · Physics 2024-03-11 Qingkai Kong , William R. Walter , Ruijia Wang , Brandon Schmandt

Our study focuses on fractional order compartment models derived from underlying physical stochastic processes, providing a more physically grounded approach compared to models that use the dynamical system approach by simply replacing…

Synaptic transmission between neurons is governed by a cascade of stochastic reaction-diffusion events that lead to calcium-induced vesicle release of neurotransmitter. Since experimental measurements of such systems are challenging due…

Biological Physics · Physics 2021-10-14 Maria Reva , David A. DiGregorio , Denis S. Grebenkov

Existing variance reduction techniques used in stochastic simulations for rare event analysis still require a substantial number of model evaluations to estimate small failure probabilities. In the context of complex, nonlinear finite…

Machine Learning · Computer Science 2025-08-04 Liuyun Xu , Seymour M. J. Spence

In this work we consider the semi-batch process of precipitation of calcium carbonate solids from a solution containing calcium ions by adjusting the pH of the solution. The change in pH is induced either by the addition of alkaline…

Optimization and Control · Mathematics 2025-08-14 Sandesh Athni Hiremath , Chinmay Hegde , Andreas Voigt

Intracellular calcium is regulated in part by the release of Ca$^{2+}$ ions from the endoplasmic reticulum via inositol-4,5-triphosphate receptor (IP$_3$R) channels (among other possibilities such as RyR and L-type calcium channels). The…

Subcellular Processes · Quantitative Biology 2016-09-14 Ulrich Dobramysl , Sten Rüdiger , Radek Erban

Can a micron sized sack of interacting molecules autonomously learn an internal model of a complex and fluctuating environment? We draw insights from control theory, machine learning theory, chemical reaction network theory, and statistical…

Molecular Networks · Quantitative Biology 2023-11-08 William Poole , Thomas E. Ouldridge , Manoj Gopalkrishnan

In this paper, we propose a model reduction method for solving multiscale elliptic PDEs with random coefficients in the multiquery setting using an optimization approach. The optimization approach enables us to construct a set of localized…

Numerical Analysis · Mathematics 2018-07-09 Thomas Y. Hou , Dingjiong Ma , Zhiwen Zhang

Physics-informed neural networks and operator networks have shown promise for effectively solving equations modeling physical systems. However, these networks can be difficult or impossible to train accurately for some systems of equations.…

Machine Learning · Computer Science 2023-11-22 Amanda A Howard , Sarah H Murphy , Shady E Ahmed , Panos Stinis

Reactive chemistry of molecular hydrogen at surfaces, notably dissociative sticking and hydrogen evolution, plays a crucial role in energy storage and fuel cells. Theoretical studies can help to decipher underlying mechanisms and reaction…

In contact-rich tasks, the hybrid, multi-modal nature of contact dynamics poses great challenges in model representation, planning, and control. Recent efforts have attempted to address these challenges via data-driven methods, learning…

Robotics · Computer Science 2024-03-11 Hien Bui , Michael Posa

While there is currently a lot of enthusiasm about "big data", useful data is usually "small" and expensive to acquire. In this paper, we present a new paradigm of learning partial differential equations from {\em small} data. In…

Artificial Intelligence · Computer Science 2018-01-17 Maziar Raissi , George Em Karniadakis

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis

The paper presents a computational stochastic model of virtual cells irradiation, based on Quasi-Markov Chain Monte Carlo method and using biophysical input. The model is based on a stochastic tree of probabilities for each cell of the…

Biological Physics · Physics 2014-12-23 Krzysztof Wojciech Fornalski

Nonlocal models have recently had a major impact in nonlinear continuum mechanics and are used to describe physical systems/processes which cannot be accurately described by classical, calculus based "local" approaches. In part, this is due…

Optimization and Control · Mathematics 2021-03-10 Sriram Nagaraj