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The kinetics of collective rearrangements in solution, such as protein folding and nanocrystal phase transitions, often involve free energy barriers that are both long and rough. Applying methods of transition path sampling to harvest…

Statistical Mechanics · Physics 2009-11-13 M. Grünwald , P. L. Geissler , C. Dellago

Importance sampling of trajectories has proved a uniquely successful strategy for exploring rare dynamical behaviors of complex systems in an unbiased way. Carrying out this sampling, however, requires an ability to propose changes to…

Statistical Mechanics · Physics 2015-07-01 Todd R. Gingrich , Phillip L. Geissler

This work develops effective distributed strategies for the solution of constrained multi-agent stochastic optimization problems with coupled parameters across the agents. In this formulation, each agent is influenced by only a subset of…

Optimization and Control · Mathematics 2019-03-15 Sulaiman A. Alghunaim , Ali H. Sayed

Sample-based trajectory optimisers are a promising tool for the control of robotics with non-differentiable dynamics and cost functions. Contemporary approaches derive from a restricted subclass of stochastic optimal control where the…

Robotics · Computer Science 2021-10-07 Tom Lefebvre , Guillaume Crevecoeur

After collecting data from observations or experiments, the next step is to build an appropriate mathematical or stochastic model to describe the data so that further studies can be done with the help of the models. In this article, the…

Data Analysis, Statistics and Probability · Physics 2023-07-19 A. M. Mathai , H. J. Haubold

Considering uncertainties and disturbances is an important, yet challenging, step in successful decision making. The problem becomes more challenging in safety-constrained environments. In this paper, we propose a robust and safe trajectory…

Systems and Control · Electrical Eng. & Systems 2022-03-29 Hassan Almubarak , Evangelos A. Theodorou , Nader Sadegh

Constraint-based modeling has been widely used on metabolic networks analysis, such as biosynthetic prediction and flux optimization. The linear constraints, like mass conservation constraint, reversibility constraint, biological capacity…

Other Quantitative Biology · Quantitative Biology 2009-11-29 Lu Xie , Yi Zhang

Evolutionary optimisation algorithm is employed to design networks of phase-repulsive oscillators that achieve an anti-phase synchronised state. By introducing the link frustration, the evolutionary process is implemented by rewiring the…

Statistical Mechanics · Physics 2012-11-21 Zoran Levnajić

Transition path sampling (TPS), which involves finding probable paths connecting two points on an energy landscape, remains a challenge due to the complexity of real-world atomistic systems. Current machine learning approaches use…

Machine Learning · Computer Science 2025-06-27 Sanjeev Raja , Martin Šípka , Michael Psenka , Tobias Kreiman , Michal Pavelka , Aditi S. Krishnapriyan

Wind farms can increase annual energy production (AEP) with advanced control algorithms by coordinating the set points of individual turbine controllers across the farm. However, it remains a significant challenge to achieve performance…

Optimization and Control · Mathematics 2020-03-18 Yi Guo , Mario Rotea , Tyler Summers

Many real-world optimization problems occur in environments that change dynamically or involve stochastic components. Evolutionary algorithms and other bio-inspired algorithms have been widely applied to dynamic and stochastic problems.…

Neural and Evolutionary Computing · Computer Science 2020-01-30 Vahid Roostapour , Mojgan Pourhassan , Frank Neumann

In many systems, the time scales of the microscopic dynamics and macroscopic dynamics of interest are separated by many orders of magnitude. Examples abound, for instance nucleation, protein folding, and chemical reactions. For these…

Other Condensed Matter · Physics 2009-11-13 J. Kuipers , G. T. Barkema

Calibrating simulation models that take large quantities of multi-dimensional data as input is a hard simulation optimization problem. Existing adaptive sampling strategies offer a methodological solution. However, they may not sufficiently…

Methodology · Statistics 2024-07-17 Pranav Jain , Sara Shashaani , Eunshin Byon

There has been considerable recent interest in Bayesian modeling of high-dimensional networks via latent space approaches. When the number of nodes increases, estimation based on Markov Chain Monte Carlo can be extremely slow and show poor…

Computation · Statistics 2022-05-30 Emanuele Aliverti , Massimiliano Russo

In real-time trajectory planning for unmanned vehicles, on-board sensors, radars and other instruments are used to collect information on possible obstacles to be avoided and pathways to be followed. Since, in practice, observations of the…

Methodology · Statistics 2013-09-25 Adriano Zanin Zambom , Julian A. A. Collazos , Ronaldo Dias

The latent stochastic block model is a flexible and widely used statistical model for the analysis of network data. Extensions of this model to a dynamic context often fail to capture the persistence of edges in contiguous network…

Methodology · Statistics 2018-04-16 Riccardo Rastelli

We show the application of an optimal transportation approach to estimate stochastic volatility process by using the flow that optimally transports the set of particles from the prior to a posterior distribution. We also show how to direct…

Numerical Analysis · Mathematics 2017-09-06 Raphael Douady , Shohruh Miryusupov

Metaheuristic algorithms, widely used for solving complex non-convex and non-differentiable optimization problems, often lack a solid mathematical foundation. In this review, we explore how concepts and methods from kinetic theory can offer…

Optimization and Control · Mathematics 2024-10-15 Giacomo Borghi , Michael Herty , Lorenzo Pareschi

The numerical quantification of the statistics of rare events in stochastic processes is a challenging computational problem. We present a sampling method that constructs an ensemble of stochastic trajectories that are constrained to have…

Statistical Mechanics · Physics 2022-07-13 Javier Aguilar , Joseph W. Baron , Tobias Galla , Raul Toral

Exploiting stochastic path integral theory, we obtain \emph{by simulation} substantial gains in efficiency for the computation of reaction rates in one-dimensional, bistable, overdamped stochastic systems. Using a well-defined measure of…

Computational Physics · Physics 2016-09-08 Daniel M. Zuckerman , Thomas B. Woolf