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Molecular motors and other complex nonequilibrium systems are controlled by large sets of design parameters, and optimizing those parameters requires computing sensitivities -- derivatives of dynamical observables with respect to the…

Statistical Mechanics · Physics 2026-05-12 John Strahan , Todd R. Gingrich

We explore past and recent developments in rare-event probability estimation with a particular focus on a novel Monte Carlo technique Empirical Likelihood Maximization (ELM). This is a versatile method that involves sampling from a sequence…

Computation · Statistics 2013-12-12 A. Huang , Z. I. Botev

An important task in structural design is to quantify the structural performance of an object under the external forces it may experience during its use. The problem proves to be computationally very challenging as the external forces'…

Machine Learning · Statistics 2018-10-26 Yining Wang , Erva Ulu , Aarti Singh , Levent Burak Kara

While optimal control theory offers effective strategies for minimizing energetic costs in noisy microscopic systems over finite durations, a significant opportunity lies in exploiting the temporal structure of non-equilibrium forces. We…

Statistical Mechanics · Physics 2025-04-10 Kristian Stølevik Olsen , Rémi Goerlich , Yael Roichman , Hartmut Löwen

To directly simulate rare events using atomistic molecular dynamics is a significant challenge in computational biophysics. Well-established enhanced-sampling techniques do exist to obtain the thermodynamic functions for such systems. But…

Statistical Mechanics · Physics 2020-07-21 Dhiman Ray , Ioan Andricioaei

Forecasting the future trajectories of surrounding agents is crucial for autonomous vehicles to ensure safe, efficient, and comfortable route planning. While model ensembling has improved prediction accuracy in various fields, its…

Machine Learning · Computer Science 2024-09-23 Aron Distelzweig , Eitan Kosman , Andreas Look , Faris Janjoš , Denesh K. Manivannan , Abhinav Valada

We present a method for computing stationary distributions for activated processes in equilibrium and non-equilibrium systems using Forward Flux Sampling (FFS). In this method, the stationary distributions are obtained directly from the…

Soft Condensed Matter · Physics 2009-07-06 Chantal Valeriani , Rosalind J. Allen , Marco J. Morelli , Daan Frenkel , Pieter Rein ten Wolde

Trajectory optimizers for model-based reinforcement learning, such as the Cross-Entropy Method (CEM), can yield compelling results even in high-dimensional control tasks and sparse-reward environments. However, their sampling inefficiency…

Interacting particle systems with many degrees of freedom may undergo phase transitions to sustain atypical fluctuations of dynamical observables such as the current or the activity. This leads in some cases to symmetry-broken space-time…

Statistical Mechanics · Physics 2019-08-23 Carlos Pérez-Espigares , Pablo I. Hurtado

Understanding neural dynamics is a central topic in machine learning, non-linear physics and neuroscience. However, the dynamics is non-linear, stochastic and particularly non-gradient, i.e., the driving force can not be written as gradient…

Neurons and Cognition · Quantitative Biology 2024-12-05 Junbin Qiu , Haiping Huang

In this paper, we propose a novel robust stochastic optimization approach with a distinctive consideration for rare events, in which divergence measures are used to bound the event-wise ambiguity sets. This is done by using the Poisson…

Optimization and Control · Mathematics 2021-09-14 Aakil M. Caunhye , Douglas Alem

To tackle massive data, subsampling is a practical approach to select the more informative data points. However, when responses are expensive to measure, developing efficient subsampling schemes is challenging, and an optimal sampling…

Computation · Statistics 2022-10-11 Jing Wang , HaiYing Wang , Shifeng Xiong

We describe a new approach to the rare-event Monte Carlo sampling problem. This technique utilizes a symmetrization strategy to create probability distributions that are more highly connected and thus more easily sampled than their…

Statistical Mechanics · Physics 2015-05-28 Nuria Plattner , J. D. Doll , Paul Dupuis , Hui Wang , Yufei Liu , J. E. Gubernatis

The use of random sampling in decision-making and control has become popular with the ease of access to graphic processing units that can generate and calculate multiple random trajectories for real-time robotic applications. In contrast to…

Robotics · Computer Science 2022-03-21 Hyung-Jin Yoon , Chuyuan Tao , Hunmin Kim , Naira Hovakimyan , Petros Voulgaris

This paper considers optimal control of dynamical systems which are represented by nonlinear stochastic differential equations. It is well-known that the optimal control policy for this problem can be obtained as a function of a value…

Robotics · Computer Science 2014-05-30 Oktay Arslan , Evangelos Theodorou , Panagiotis Tsiotras

We provide an algorithm based on weighted-ensemble (WE) methods, to accurately sample systems at steady state. Applying our method to different one- and two-dimensional models, we succeed to calculate steady state probabilities of order…

Statistical Mechanics · Physics 2015-06-15 Justus A. Kromer , Lutz Schimansky-Geier , Raul Toral

Sub-sampling is a common and often effective method to deal with the computational challenges of large datasets. However, for most statistical models, there is no well-motivated approach for drawing a non-uniform subsample. We show that the…

Machine Learning · Statistics 2017-09-07 Daniel Ting , Eric Brochu

Importance sampling is a technique that is commonly used to speed up Monte Carlo simulation of rare events. However, little is known regarding the design of efficient importance sampling algorithms in the context of queueing networks. The…

Probability · Mathematics 2009-09-29 Paul Dupuis , Ali Devin Sezer , Hui Wang

We consider the general problem of estimating probabilities which arise as a union of dependent events. We propose a flexible series of estimators for such probabilities, and describe variance reduction schemes applied to the proposed…

Probability · Mathematics 2016-10-10 Lars Nørvang Andersen , Patrick J. Laub , Leonardo Rojas-Nandayapa

Many real-world systems are characterized by stochastic dynamical rules where a complex network of interactions among individual elements probabilistically determines their state. Even with full knowledge of the network structure and of the…

Physics and Society · Physics 2018-05-15 Filippo Radicchi , Claudio Castellano