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With the establishment of machine learning (ML) techniques in the scientific community, the construction of ML potential energy surfaces (ML-PES) has become a standard process in physics and chemistry. So far, improvements in the…
Functional nanoparticles (NPs) have gained significant attention as a promising application in various fields, including sensor, smart coating, drug delivery, and more. Here, we propose a novel mechanism assisted by machine-learning…
With a large number of software tools dedicated to the visualisation and/or demonstration of properties of geometric constructions and also with the emerging of repositories of geometric constructions, there is a strong need of linking…
Ubiquitous geometric objects can be precisely and efficiently represented as polyhedra. The transformation of a polyhedron into a vector, known as polyhedra representation learning, is crucial for manipulating these shapes with mathematical…
Compacting orthogonal drawings is a challenging task. Usually algorithms try to compute drawings with small area or edge length while preserving the underlying orthogonal shape. We present a one-dimensional compaction algorithm that alters…
A new predictor-corrector type incremental algorithm is proposed for the exact construction of weighted straight skeletons of 2D general planar polygons of arbitrary complexity based on the notion of deforming polygon. In the proposed…
Orthogonal polynomials on quadratic curves in the plane are studied. These include orthogonal polynomials on ellipses, parabolas, hyperbolas, and two lines. For an integral with respect to an appropriate weight function defined on any…
We present a Python package called Modular Petri Net Assembly Toolkit (MPAT) that empowers users to easily create large-scale, modular Petri Nets for various spatial configurations, including extensive spatial grids or those derived from…
Manually authoring 3D shapes is difficult and time consuming; generative models of 3D shapes offer compelling alternatives. Procedural representations are one such possibility: they offer high-quality and editable results but are difficult…
In this paper, we develop geometry-conforming immersed finite element (IFE) spaces on triangular meshes for elliptic interface problems. The construction is built on a Frenet-Serret mapping that transforms a smooth interface curve into a…
Folding is emerging as a promising manufacturing process to transform flat materials into functional structures, offering efficiency by reducing the need for welding, gluing, and molding, while minimizing waste and enabling automation.…
We present a unified framework for developing and analysing immersed finite element (IFE) spaces for solving typical elliptic interface problems with interface independent meshes. This framework allows us to construct a group of new IFE…
We introduce iposets---posets with interfaces---equipped with a novel gluing composition along interfaces and the standard parallel composition. We study their basic algebraic properties as well as the hierarchy of gluing-parallel posets…
We present ONION, a multi-layered framework for participatory Entity-Relationship (ER) modeling that integrates insights from design justice, participatory AI, and conceptual modeling. ONION introduces a five-stage methodology: Observe,…
A tutorial introduction to projective geometric algebra (PGA), a modern, coordinate-free framework for doing euclidean geometry. PGA features: uniform representation of points, lines, and planes; robust, parallel-safe join and meet…
An easy way to define and visualize geometry for PHITS input files introduced. Suggested FitsGeo Python package helps to define surfaces as Python objects and manipulate them conveniently. VPython assists to view defined geometry…
We describe the development of a new software tool, called "Pomelo", for the calculation of Set Voronoi diagrams. Voronoi diagrams are a spatial partition of the space around the particles into separate Voronoi cells, e.g. applicable to…
Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi-component systems that enables comprehensive sampling of the many-dimensional configuration space. Here, we…
The EditLens is an interactive lens technique that supports the editing of graphs. The user can insert, update, or delete nodes and edges while maintaining an already existing layout of the graph. For the nodes and edges that are affected…
Networks or graphs are widely used across the sciences to represent relationships of many kinds. igraph (https://igraph.org) is a general-purpose software library for graph construction, analysis, and visualisation, combining fast and…