相关论文: Topological analysis of entropy measure using regr…

Supramolecular chemistry protocols applied on surfaces offer compelling avenues for atomic scale control over organic-inorganic interface structures. In this approach, adsorbate-surface interactions and two-dimensional confinement can lead…

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

Topological indices have been used to modeling biological and chemical properties of molecules in quantitive structure property relationship studies and quantitive structure activity studies. All the degree based topological indices have…

Nanowires of BiSe show topological states localized near the surface of the material. The topological nature of these states can be analyzed using well-known quantities. In this paper, we calculate the topological entropy suggested by…

The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…

We propose an algorithm to estimate the topology of an embedded metric graph from a well-sampled finite subset of the underlying graph.

This study investigates entropy's potential for analyzing scientific research patterns across disciplines. Originating from thermodynamics, entropy now measures uncertainty and diversity in information systems. We examine Shannon Entropy,…

In this paper we propose and study a class of simple, nonparametric, yet interpretable measures of association between two random variables $X$ and $Y$ taking values in general topological spaces. These nonparametric measures -- defined…

With the growing adoption of AI-based systems across everyday life, the need to understand their decision-making mechanisms is correspondingly increasing. The level at which we can trust the statistical inferences made from AI-based…

Despite growing interest in data stream mining the most successful incremental learners, such as VFDT, still use periodic recomputation to update attribute information gains and Gini indices. This note provides simple incremental formulas…

Although neural networks are capable of reaching astonishing performances on a wide variety of contexts, properly training networks on complicated tasks requires expertise and can be expensive from a computational perspective. In industrial…

We study the tailoring of structured random graph ensembles to real networks, with the objective of generating precise and practical mathematical tools for quantifying and comparing network topologies macroscopically, beyond the level of…

In this paper, we apply persistent entropy, a novel topological statistic, for characterization of images of epithelial tissues. We have found out that persistent entropy is able to summarize topological and geometric information encoded by…

A characterization of topological order in terms of bi-partite entanglement was proposed recently [A. Kitaev and J. Preskill, Phys. Rev. Lett. 96, 110404 (2006); M. Levin and X.-G. Wen, ibid, 110405]. It was argued that in a topological…

Contrastive learning on graphs aims at extracting distinguishable high-level representations of nodes. In this paper, we theoretically illustrate that the entropy of a dataset can be approximated by maximizing the lower bound of the mutual…

Graph learning on molecules makes use of information from both the molecular structure and the features attached to that structure. Much work has been conducted on biasing either towards structure or features, with the aim that bias…

This article examines the inverse problem for a lossy quantum graph that is internally excited and sensed. In particular, we supply an algorithmic methodology for deducing the topology and geometric structure of the underlying metric graph.…

Network science provides valuable insights across numerous disciplines including sociology, biology, neuroscience and engineering. A task of major practical importance in these application domains is inferring the network structure from…

Topological indices play an important role in mathematical chemistry especially in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR). Recent research indicates that the augmented…

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…