Related papers: The minimal molecular surface
In this paper, we develop a multiscale hierarchy framework for objective molecular dynamics (OMD), a reduced order molecular dynamics with a certain symmetry, that connects it to the statistical kinetic equation, and the macroscopic…
Multidimensional Scaling (MDS) is one of the most popular methods for dimensionality reduction and visualization of high dimensional data. Apart from these tasks, it also found applications in the field of geometry processing for the…
This paper proposes a machine learning (ML) method to predict stable molecular geometries from their chemical composition. The method is useful for generating molecular conformations which may serve as initial geometries for saving time…
Minimum achievable complexity (MAC) for a maximum likelihood (ML) performance-achieving detection algorithm is derived. Using the derived MAC, we prove that the conventional sphere decoding (SD) algorithms suffer from an inherent weakness…
The interaction between nano- or micro-sized particles and cell membranes is of crucial importance in many biological and biomedical applications such as drug and gene delivery to cells and tissues. During their cellular uptake, the…
Particle-based shape modeling (PSM) is a popular approach to automatically quantify shape variability in populations of anatomies. The PSM family of methods employs optimization to automatically populate a dense set of corresponding…
Particle-based shape modeling (PSM) is a family of approaches that automatically quantifies shape variability across anatomical cohorts by positioning particles (pseudo landmarks) on shape surfaces in a consistent configuration. Recent…
In this lectures, we give a review about the Minimal Supersymmetric Standard Model (MSSM) with $R$-Parity Violation because it provides an attractive way to generate neutrino masses, lepton mixing angles in acconcordance to present neutrino…
Understanding grain-surface processes is crucial to interpreting the chemistry of the ISM. However, accurate surface chemistry models are computationally expensive and are difficult to integrate with gas-phase simulations. A new…
A model describing cell membranes as optimal shapes with regard to the $L^2$-deficit of their mean curvature to a given constant called spontaneous curvature is considered. It is shown that the corresponding energy functional is lower…
We are focusing on bound constrained global optimization problems, whose objective functions are computationally expensive black-box functions and have multiple local minima. The recently popular Metric Stochastic Response Surface (MSRS)…
In this contribution to the proceedings of the 11th Mathematical Society of Japan (MSJ) Seasonal Institute (July 2018) we give an overview of some recent work on a mathematical model for small deformations of a spherical membrane. The idea…
We extend our study of Motion Planning via Manifold Samples (MMS), a general algorithmic framework that combines geometric methods for the exact and complete analysis of low-dimensional configuration spaces with sampling-based approaches…
Sampling from unnormalized densities using diffusion models has emerged as a powerful paradigm. However, while recent approaches that use least-squares `matching' objectives have improved scalability, they often necessitate significant…
Recent advances in neural interfacing have enabled significant improvements in human-computer interaction, rehabilitation, and neuromuscular diagnostics. Motor unit (MU) decomposition from surface electromyography (sEMG) is a key technique…
In this work, we study the perception problem for sampled surfaces (possibly with boundary) using tools from computational topology, specifically, how to identify their underlying topology starting from point-cloud samples in space, such as…
Ice deposits on Earth provide an extended record of volcanism, planetary climate, and life. On Mars, such a record may extend as far back as tens to hundreds of millions of years (My), compared to only a few My on Earth. Here, we propose…
For a quadratic matrix polynomial dependent on parameters and a given tolerance $\epsilon > 0$, the minimization of the $\epsilon$-pseudospectral abscissa over the set of permissible parameter values is discussed, with applications in…
We present a maskless microscope projection lithography system (MPLS), in which photomasks have been replaced by a Digital Micromirror Device type spatial light modulator (DMD, Texas Instruments). Employing video projector technology high…
In this paper we use molecular dynamics (MD) to answer a classical question: how does the surface tension on a liquid/gas interface appear? After defining surface tension from the first principles and performing several consistency checks,…