Related papers: Flat histogram PERM
An infinite hierarchy of layering transitions exists for model polymers in solution under poor solvent or low temperatures and near an attractive surface. A flat histogram stochastic growth algorithm known as FlatPERM has been used on a…
Fitting a data set with a parametrized model can be seen geometrically as finding the global minimum of the chi^2 hypersurface, depending on a set of parameters {P_i}. This is usually done using the Levenberg-Marquardt algorithm. The main…
We revisit the asymptotic bias analysis of the distributed Pareto optimization algorithm developed based on the diffusion strategies. We propose an alternative way to analyze the asymptotic bias of this algorithm at small step-sizes and…
High-dimensional biomedical studies require models that are simultaneously accurate, sparse, and interpretable, yet exact best subset selection for generalized linear models is computationally intractable. We develop a scalable method that…
In this paper, a new progressive mesh algorithm is introduced in order to perform fast physical simulations by the use of a lattice Boltzmann method (LBM) on a single-node multi-GPU architecture. This algorithm is able to mesh automatically…
We study the adsorption of flexible polymer macromolecules on a percolation cluster, formed by a regular two-dimensional disordered lattice at critical concentration p_c of attractive sites. The percolation cluster is characterized by a…
We present an open-source MLatom@XACS software ecosystem for on-the-fly surface hopping nonadiabatic dynamics based on the Landau-Zener-Belyaev-Lebedev (LZBL) algorithm. The dynamics can be performed via Python API with a wide range of…
Exploring the free-energy landscape along reaction coordinates or system parameters $\lambda$ is central to many studies of high-dimensional model systems in physics, e.g. large molecules or spin glasses. In simulations this usually…
Consider the design based situation where an $r$-regular set is sampled on a random lattice. A fast algorithm for estimating the integrated mean curvature based on this observation is to use a weighted sum of $2\times \dotsm \times 2$…
We present a Monte Carlo method that allows efficient and unbiased sampling of Hamiltonian walks on a cubic lattice. Such walks are self-avoiding and visit each lattice site exactly once. They are often used as simple models of globular…
Perturbed Hamming weight problems serve as examples of optimization instances for which the adiabatic algorithm provably out performs classical simulated annealing. In this work we study the efficiency of the adiabatic algorithm for solving…
We present a novel graph-theoretic approach to simplifying generic many-body Hamiltonians. Our primary result introduces a recursive twin-collapse algorithm, leveraging the identification and elimination of symmetric vertex pairs (twins),…
The impressive performance of Large Language Models (LLMs) across various natural language processing tasks comes at the cost of vast computational resources and storage requirements. One-shot pruning techniques offer a way to alleviate…
Correlation among the observations in high-dimensional regression modeling can be a major source of confounding. We present a new open-source package, plmmr, to implement penalized linear mixed models in R. This R package estimates…
In this article, we introduce a modular hybrid analysis and modeling (HAM) approach to account for hidden physics in reduced order modeling (ROM) of parameterized systems relevant to fluid dynamics. The hybrid ROM framework is based on…
Throughout the world, breast cancer is one of the leading causes of female death. Recently, deep learning methods are developed to automatically grade breast cancer of histological slides. However, the performance of existing deep learning…
A numerical method is proposed for simulation of composite open quantum systems. It is based on Lindblad master equations and adiabatic elimination. Each subsystem is assumed to converge exponentially towards a stationary subspace, slightly…
For many applications in signal processing and machine learning, we are tasked with minimizing a large sum of convex functions subject to a large number of convex constraints. In this paper, we devise a new random projection method (RPM) to…
We present a new framework for the analysis and design of randomized algorithms for solving various types of linear systems, including consistent or inconsistent, full rank or rank-deficient. Our method is formulated with four randomized…
We revisit an integrable lattice model of polymer collapse using numerical simulations. This model was first studied by Bl\"ote and Nienhuis in J. Phys. A. {\bf 22}, 1415 (1989) and it describes polymers with some attraction, providing thus…