Related papers: Multiple Potentials of Mean Force from Biased Expe…
We study nonparametric estimation of a probability mass function (PMF) on a large discrete support, where the PMF is multi-modal and heavy-tailed. The core idea is to treat the empirical PMF as a signal on a line graph and apply a…
Joint analysis of multiple phenotypes can increase statistical power in genetic association studies. Principal component analysis, as a popular dimension reduction method, especially when the number of phenotypes is high-dimensional, has…
In this paper we compare two polymer stretching experiments. The outcome of both experiments is a force-extension relation. We use a one-dimensional model to show that in general the two quantities are not equal. In certain limits, however,…
Metadynamics is an enhanced sampling method of great popularity, based on the on-the-fly construction of a bias potential that is function of a selected number of collective variables. We propose here a change in perspective that shifts the…
Atomic force microscopy (AFM) enables high-resolution imaging and quantitative force measurement, which is critical for understanding nanoscale mechanical, chemical, and biological interactions. In dynamic AFM modes, however, interaction…
Recently discovered identities in statistical mechanics have enabled the calculation of equilibrium ensemble averages from realizations of driven nonequilibrium processes, including single-molecule pulling experiments and analogous computer…
Multiphase estimation is a paradigmatic example of a multiparameter problem. When measuring multiple phases embedded in interferometric networks, specially-tailored input quantum states achieve enhanced sensitivities compared with both…
In this paper a method of obtaining smooth analytical estimates of probability densities, radial distribution functions and potentials of mean force from sampled data in a statistically controlled fashion is presented. The approach is…
We introduce a new method for the reconstruction of a function from linear measurements by means of oblique projections. The space spanned by the measurement vectors may be different from the subspace in which the function is reconstructed.…
The native structures of proteins, except for notable exceptions of intrinsically disordered proteins, in general take their most stable conformation in the physiological condition to maintain their structural framework so that their…
We consider the nonparametric regression problem with multiple predictors and an additive error, where the regression function is assumed to be coordinatewise nondecreasing. We propose a Bayesian approach to make an inference on the…
As estimators of location parameters, univariate trimmed means are well known for their robustness and efficiency. They can serve as robust alternatives to the sample mean while possessing high efficiencies at normal as well as heavy-tailed…
Recent developments of microscopic mechanical experiments allow the manipulation of individual polymer molecules in two main ways: \textit{uniform} stretching by external forces and \textit{non-uniform} stretching by external fields. Many…
The mechanical unfolding of an engineered protein composed of eight domains of Ig27 is investigated by using atomic force microscopy. Exploiting a fluctuation relation, the equilibrium free energy as a function of the molecule elongation is…
The association between polyelectrolytes (PEs) of the same size but opposite charge is systematically studied in terms of the potential of mean force (PMF) along their center-of-mass reaction coordinate via coarse-grained, implicit-solvent,…
With the development of feature extraction technique, one sample always can be represented by multiple features which locate in high-dimensional space. Multiple features can re ect various perspectives of one same sample, so there must be…
The surface diffusion potential landscape plays an essential role in a number of physical and chemical processes such as self-assembly and catalysis. Diffusion energy barriers can be calculated theoretically for simple systems, but there is…
The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to…
Blind face restoration (BFR) may correspond to multiple plausible high-quality (HQ) reconstructions under extremely low-quality (LQ) inputs. However, existing methods typically produce deterministic results, struggling to capture this…
We consider a system where a spherical particle is suspended in a nematic liquid crystal confined between two walls. We calculate the liquid-crystal mediated potential of mean force between the sphere and a substrate by means of Monte Carlo…