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Particle smoothers are SMC (Sequential Monte Carlo) algorithms designed to approximate the joint distribution of the states given observations from a state-space model. We propose dSMC (de-Sequentialized Monte Carlo), a new particle…
Diffeomorphic matching (only one of several names for this technique) is a technique for non-rigid registration of curves and surfaces in which the curve or surface is embedded in the flow of a time-series of vector fields. One seeks the…
Modelling MEMS involves a variety of software tools that deal with the analysis of complex geometrical structures and the assessment of various interactions among different energy domains and components. Moreover, the MEMS market is growing…
We present a multilevel Monte Carlo simulation method for analysing multi-scale physical systems via a hierarchy of coarse-grained representations, to obtain numerically-exact results, at the most detailed level. We apply the method to a…
We propose a novel 3D shape correspondence method based on the iterative alignment of so-called smooth shells. Smooth shells define a series of coarse-to-fine shape approximations designed to work well with multiscale algorithms. The main…
We report a detailed study, using state-of-the-art simulation and theoretical methods, of the depletion potential between a pair of big hard spheres immersed in a reservoir of much smaller hard spheres, the size disparity being measured by…
OpenFMO framework, an open-source software (OSS) platform for Fragment Molecular Orbital (FMO) method, is extended to multi-physics simulations (MPS). After reviewing the several FMO implementations on distributed computer environments, the…
Biomembranes adopt varying morphologies that are vital to cellular functions. Many studies use computational modeling to understand how various mechanochemical factors contribute to membrane shape transformations. Compared to…
Propagation of an ultrashort pulse of light through strongly scattering media generates an intricate spatio-spectral speckle that can be described by means of the multi-spectral transmission matrix (MSTM). In conjunction with a spatial…
In this paper we propose a framework for simulating thermal particle production in condensed matter systems. The procedure we describe can be realized by means of a quantum quench of a parameter in the model. In order to support this claim,…
One of the main applications of electromagnetic metasurfaces (MSs) is to tailor spatial field distributions. The radiation pattern of a given source can be desirably modified upon reflection on an MS having proper spatial modulation of its…
Solid state theory, density functional theory and its generalizations for correlated systems together with numerical simulations on supercomputers allow nowadays to model magnetic systems realistically and in detail and can be even used to…
We consider a composite medium, which consists of a homogeneous matrix containing a statistically homogeneous set of multimodal spherical inclusions. This model is used to represent the morphology of heterogeneous solid propellants (HSP)…
Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…
We are seeing a Cambrian explosion of 3D shape representations for use in machine learning. Some representations seek high expressive power in capturing high-resolution detail. Other approaches seek to represent shapes as compositions of…
The paper presents partial overview of the mathematical synthesis and the physical realization of metasurfaces, and related illustrative examples. The synthesis consists in determining the exact tensorial surface susceptibility functions of…
Few-shot segmentation is challenging because objects within the support and query images could significantly differ in appearance and pose. Using a single prototype acquired directly from the support image to segment the query image causes…
Modeling deformations of a real object is an important task in computer vision, biomedical engineering and biomechanics. In this paper, we focus on a situation where a three-dimensional object is rotationally deformed about a fixed axis,…
Hard spheres are ubiquitous in condensed matter: they have been used as models for liquids, crystals, colloidal systems, granular systems, and powders. Packings of hard spheres are of even wider interest, as they are related to important…
Particle shape is a critical parameter that plays an important role in self-assembly, for example, in designing targeted complex structures with desired properties. In the last decades an unprecedented range of monodisperse nanoparticle…