Related papers: Self-Healing Umbrella Sampling: Convergence and ef…
We consider a generalization of the discrete-time Self Healing Umbrella Sampling method, which is an adaptive importance technique useful to sample multimodal target distributions. The importance function is based on the weights (namely the…
We propose an extension of umbrella sampling in which the pertinent range of states is subdivided in windows that are sampled consecutively and linked together. Extrapolating results from one window we estimate a weight function for the…
We present the umbrella sampling (US) technique and show that it can be used to sample extremely low probability areas of the posterior distribution that may be required in statistical analyses of data. In this approach sampling of the…
Umbrella sampling is an efficient method for the calculation of free energy changes of a system along well-defined reaction coordinates. However, when multiple parallel channels along the reaction coordinate or hidden barriers in directions…
Umbrella sampling efficiently yields equilibrium averages that depend on exploring rare states of a model by biasing simulations to windows of coordinate values and then combining the resulting data with physical weighting. Here, we…
Stochastic Primal-Dual Hybrid Gradient (SPDHG) is an algorithm proposed by Chambolle et al. (2018) to efficiently solve a wide class of nonsmooth large-scale optimization problems. In this paper we contribute to its theoretical foundations…
In this paper, we combine the positive aspects of the Gradient Sampling (GS) and bundle methods, as the most efficient methods in nonsmooth optimization, to develop a robust method for solving unconstrained nonsmooth convex optimization…
The swarm intelligence of animals is a natural paradigm to apply to optimization problems. Ant colony, bee colony, firefly and bat algorithms are amongst those that have been demonstrated to efficiently to optimize complex constraints. This…
Survey data often arises from complex sampling designs, such as stratified or multistage sampling, with unequal inclusion probabilities. When sampling is informative, traditional inference methods yield biased estimators and poor coverage.…
This paper proposes a new image thresholding segmentation approach using the heuristic method, Convergent Heterogeneous Particle Swarm Optimization algorithm. The proposed algorithm incorporates a new strategy of searching the problem space…
We propose an adaptive Metropolis-Hastings algorithm in which sampled data are used to update the proposal distribution. We use the samples found by the algorithm at a particular step to form the information-theoretically optimal mean-field…
The primary goal of this paper is to provide an efficient solution algorithm based on the augmented Lagrangian framework for optimization problems with a stochastic objective function and deterministic constraints. Our main contribution is…
The Eigenvector Method for Umbrella Sampling (EMUS) belongs to a popular class of methods in statistical mechanics which adapt the principle of stratified survey sampling to the computation of free energies. We develop a detailed…
This paper develops a spectral fitting technology based on the particle swarm optimization (PSO) algorithm, which is applied to a calibration-free wavelength modulation spectroscopy system to achieve concentration retrieval. As compared…
Stochastic particle-optimization sampling (SPOS) is a recently-developed scalable Bayesian sampling framework that unifies stochastic gradient MCMC (SG-MCMC) and Stein variational gradient descent (SVGD) algorithms based on Wasserstein…
Speculative sampling (SpS) has been successful in accelerating the decoding throughput of auto-regressive large language models by leveraging smaller draft models. SpS strictly enforces the generated distribution to match that of the…
To avoid ineffective collisions between the equilibrium states, the hybrid method with deviational particles (HDP) has been proposed to integrate the Vlasov-Poisson-Landau system, while leaving a new issue in sampling deviational particles…
We propose a Self-Regulated Swarm (SRS) algorithm which hybridizes the advantageous characteristics of Swarm Intelligence as the emergence of a societal environmental memory or cognitive map via collective pheromone laying in the landscape…
A self-learning adaptive system (SLAS) uses machine learning to enable and enhance its adaptability. Such systems are expected to perform well in dynamic situations. For learning high-performance adaptation policy, some assumptions must be…
Reliability updating refers to a problem that integrates Bayesian updating technique with structural reliability analysis and cannot be directly solved by structural reliability methods (SRMs) when it involves equality information. The…