相关论文: LevelScheme: A level scheme drawing and scientific…

Current scientific research witnesses various attempts at applying Large Language Models for scenario generation but is inclined only to comprehensive or dangerous scenarios. In this paper, we seek to build a three-stage framework that not…

The importance of simulation at machine level in industrial environments is steadily increasing especially in the design and commissioning phase. Using models during the operation phase together with the real machine or plant is referred to…

The Lasserre Hierarchy is a set of semidefinite programs which yield increasingly tight bounds on optimal solutions to many NP-hard optimization problems. The hierarchy is parameterized by levels, with a higher level corresponding to a more…

We introduce and analyze a lower envelope method (LEM) for the tracking of interfaces motion in multiphase problems. The main idea of the method is to define the phases as the regions where the lower envelope of a set of functions coincides…

It is suggested to use multi-layer graphs as a mathematical model in the design of MPLS networks. The application of this model makes it possible to design multi-service telecommunication systems simultaneously at several levels and to…

The article presents several approaches to the blockmodeling of multilevel network data. Multilevel network data consist of networks that are measured on at least two levels (e.g. between organizations and people) and information on ties…

The emerging demand for advanced structural and biological materials calls for novel modeling tools that can rapidly yield high-fidelity estimation on materials properties in design cycles. Lattice spring model (LSM), a coarse-grained…

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled…

This work seeks to tackle the inherent complexity of dataspaces by introducing a novel data structure that can represent datasets across multiple levels of abstraction, ranging from local to global. We propose the concept of a multilevel…

Engineering design operates through hierarchical abstraction from system specifications to component implementations, requiring visual understanding coupled with mathematical reasoning at each level. While Multi-modal Large Language Models…

Graph learning is naturally well suited for use in symbolic, object-centric planning due to its ability to exploit relational structures exhibited in planning domains and to take as input planning instances with arbitrary numbers of…

Large graphs can be found in a wide array of scientific fields ranging from sociology and biology to scientometrics and computer science. Their analysis is by no means a trivial task due to their sheer size and complex structure. Such…

Complex system simulation has been playing an irreplaceable role in understanding, predicting, and controlling diverse complex systems. In the past few decades, the multi-scale simulation technique has drawn increasing attention for its…

Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…

Computing high-dimensional potential energy surfaces for molecular systems and materials is considered to be a great challenge in computational chemistry with potential impact in a range of areas including the fundamental prediction of…

Motivation: The design of enzymes is as challenging as it is consequential for making chemical synthesis in medical and industrial applications more efficient, cost-effective and environmentally friendly. While several aspects of this…

This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…

With the recent surge in the use of touchscreen devices, free-hand sketching has emerged as a promising modality for human-computer interaction. While previous research has focused on tasks such as recognition, retrieval, and generation of…

A graph is a data structure composed of dots (i.e. vertices) and lines (i.e. edges). The dots and lines of a graph can be organized into intricate arrangements. The ability for a graph to denote objects and their relationships to one…