Related papers: Rare Event Kinetics from Adaptive Bias Enhanced Sa…
Transition interface sampling (TIS) and replica exchange TIS (RETIS) are powerful methods for computing rates of rare events inaccessible to straightforward molecular dynamics (MD) simulations. Path reweighting extends their output,…
Event cameras respond to scene dynamics and offer advantages to estimate motion. Following recent image-based deep-learning achievements, optical flow estimation methods for event cameras have rushed to combine those image-based methods…
The ability to predict accurate thermodynamic and kinetic properties in biomolecular systems is of both scientific and practical utility. While both remain very difficult, predictions of kinetics are particularly difficult because rates, in…
We propose a technique called Optimal Analysis-Specific Importance Sampling (OASIS) to reduce the number of simulated events required for a high-energy experimental analysis to reach a target sensitivity. We provide recipes to obtain the…
Event cameras such as DAVIS can simultaneously output high temporal resolution events and low frame-rate intensity images, which own great potential in capturing scene motion, such as optical flow estimation. Most of the existing optical…
In this work, we present Enhanced Representation-Based Sampling (ERBS), a novel enhanced sampling method designed to generate structurally diverse training datasets for machine-learned interatomic potentials. ERBS automatically identifies…
Optical flow estimation is one of the fundamental tasks in low-level computer vision, which describes the pixel-wise displacement and can be used in many other tasks. From the apparent aspect, the optical flow can be viewed as the…
Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of…
Event cameras rely on motion to obtain information about scene appearance. This means that appearance and motion are inherently linked: either both are present and recorded in the event data, or neither is captured. Previous works treat the…
The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…
We propose an efficient novel path sampling-based framework designed to accelerate the investigation of rare events in complex molecular systems. A key innovation is the shift from sampling restricted path ensemble distributions, as in…
I give an overview of rare event simulation techniques to generate dynamical pathways across high free energy barriers. The methods on which I will concentrate are the reactive flux approach, transition path sampling, (replica-exchange)…
Cavitation is a highly turbulent, multi-phase flow phenomenon that manifests in the form of vapor cavities as a result of a sudden drop in the liquid pressure. The phenomenon has been observed as widely detrimental in hydraulic and marine…
To reduce the cost of estimating the probability of a rare event involving a very large number of random parameters, we propose a new strategy for dimension reduction coupled with a surrogate model for the expensive part of the algorithm.…
By their very nature, rare event probabilities are expensive to compute; they are also delicate to estimate as their value strongly depends on distributional assumptions on the model parameters. Hence, understanding the sensitivity of the…
Event cameras are bio-inspired sensors that asynchronously report intensity changes in microsecond resolution. DAVIS can capture high dynamics of a scene and simultaneously output high temporal resolution events and low frame-rate intensity…
Extracting information on fluid motion directly from images is challenging. Fluid flow represents a complex dynamic system governed by the Navier-Stokes equations. General optical flow methods are typically designed for rigid body motion,…
Many turbulent flows undergo drastic and abrupt configuration changes with huge impacts. As a paradigmatic example we study the multistability of jet dynamics in a barotropic beta plane model of atmosphere dynamics. It is considered as the…
To address the challenges of imbalanced multi-class datasets typically used for rare event detection in critical cyber-physical systems, we propose an optimal, efficient, and adaptable mixed integer programming (MIP) ensemble weighting…
We develop a novel computational method for evaluating the extreme excursion probabilities arising from random initialization of nonlinear dynamical systems. The method uses excursion probability theory to formulate a sequence of Bayesian…