Graphullerene is a recently discovered, two-dimensional allotrope of carbon formed from C60 molecules. It has been synthesized in the form (C60Mg4)n and subsequently transformed into (C60)n by removal of the Mg atoms. Ab initio calculations are employed to examine the structure and properties ...
In particular, we find that the transaction relations follow a bow-tie structure with negative assortativity if they are regarded as a directed graph. The popular hubs tend to connect to a large number of common users. We believe that the aforementioned statistics can be ascribed to the vast ...
data. Here, we develop multi-fidelity graph networks as a universal approach to achieve accurate predictions of materials properties with small data sizes. As a proof of concept, we show that the inclusion of low-fidelity Perdew–Burke–Ernzerhof band gaps greatly enhances the resolution of latent...
While the focus of prior research was on the long short-term memory network architecture, more deep learning architectures offer promising extensions that have proven useful for other applications of sequential data. In our work, we introduce a gated convolutional neural network and a key-value-...
UserData— Data to associate with GraphPlot [] (default) | scalar, vector, or matrix | cell array | character array | table | structure Version HistoryIntroduced in R2015b expand all R2023b: Opt out of automatic color selection with SeriesIndex="none" R2020a: Control automatic color selecti...
A design goal of Shader Graph Markdown was to keep simplicity to allow for a fast workflow and nice editors, without writing any code. Custom drawers, on the other hand, give a lot of flexibility. The in-between, where you use some kind of markup to describe very complex behaviour, is...
Carbon-based low-dimensional materials possess many properties that make their implementation in nanodevices a subject of great interest. With these impressive transport and mechanical properties, one such use includes its use as a component of a Cu-based electrode. To investigate the applicability of...
Additionally, we introduced a mechanism known as vector-scalar interactive message passing (ViS-MP), facilitating the exchange of information between nodes and edges in the molecular graph. This mechanism iteratively updates the direction units of node...
The primary methods used for this analysis are two Space Syntax techniques which, like all such syntactical methods in architectural research, are supported by graph mathematics (Hillier and Hanson 1984; Hillier and Kali 2006; Ostwald 2011; Bafna 2003). However, such is the complexity of the ...
Recently, powerful machine learning models such as graph neural networks have been used to empirically demonstrate a favorable sample complexity when leveraging the local structure of Hamiltonians in the 2D random Heisenberg model29,30. Is it possible to obtain rigorous theoretical guarantees for the ...