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1,384 Results Found

  • Article
  • Open Access
1 Citations
1,260 Views
29 Pages

7 January 2025

Presenting real-world paths in property graphs is a complex challenge of identifying and representing the properties of routes and their environments. These property graphs serve as foundational datasets for generating smart sports training routes, w...

  • Article
  • Open Access
1 Citations
4,658 Views
18 Pages

Localization with Graph Diffusion Property

  • Pengpeng Chen,
  • Yuqing Yin,
  • Shouwan Gao,
  • Qiang Niu and
  • Jun Gu

15 July 2017

Node localization is an essential issue in wireless sensor networks (WSNs). Many range-free localization methods have been proposed to satisfy the requirement of low-system cost. However, some range-free methods only depend on network connectivity, a...

  • Article
  • Open Access
1,674 Views
18 Pages

28 September 2025

In the field of materials science, experimental data or simulation results on material properties are often unevenly distributed. In addition to the vast unexplored material space, properties of lesser interest have not been measured even for well-st...

  • Article
  • Open Access
16 Citations
4,741 Views
15 Pages

18 February 2022

The mesoscopic structure significantly affects the properties of polycrystalline materials. Current artificial-based microstructure-performance analyses are expensive and require rich expert knowledge. Recently, some machine learning models have been...

  • Feature Paper
  • Article
  • Open Access
3 Citations
1,726 Views
18 Pages

30 December 2024

Graph-based neural networks have proven to be useful in molecular property prediction, a critical component of computer-aided drug discovery. In this application, in response to the growing demand for improved computational efficiency and localized e...

  • Article
  • Open Access
2 Citations
2,795 Views
15 Pages

28 February 2023

We prove a version of the Ekeland Variational Principle (EkVP) in a weighted graph G and its equivalence to Caristi fixed point theorem and to the Takahashi minimization principle. The usual completeness and topological notions are replaced with some...

  • Article
  • Open Access
3 Citations
3,722 Views
18 Pages

SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction

  • Yajie Hao,
  • Xing Chen,
  • Ailu Fei,
  • Qifeng Jia,
  • Yu Chen,
  • Jinsong Shao,
  • Sanjeevi Pandiyan and
  • Li Wang

19 January 2024

Existing formats based on the simplified molecular input line entry system (SMILES) encoding and molecular graph structure are designed to encode the complete semantic and structural information of molecules. However, the physicochemical properties o...

  • Article
  • Open Access
30 Citations
4,146 Views
12 Pages

Graph Neural Networks with Multiple Feature Extraction Paths for Chemical Property Estimation

  • Sho Ishida,
  • Tomo Miyazaki,
  • Yoshihiro Sugaya and
  • Shinichiro Omachi

Feature extraction is essential for chemical property estimation of molecules using machine learning. Recently, graph neural networks have attracted attention for feature extraction from molecules. However, existing methods focus only on specific str...

  • Article
  • Open Access
1 Citations
4,270 Views
17 Pages

4 June 2025

Molecular property prediction, as one of the important tasks in cheminformatics, is attracting more and more attention. The structure of a molecule is closely related to its properties, and a symmetrical molecular structure may differ significantly f...

  • Article
  • Open Access
1,194 Views
18 Pages

12 August 2025

Deep learning tools have recently shown significant potential for accelerating the prediction of microstructure–property linkage in materials. While deep neural networks like convolution neural networks (CNNs) can extract physics information fr...

  • Article
  • Open Access
2,199 Views
22 Pages

19 February 2025

In this paper, the high-pressure physical property analysis of reservoir fluid PVT (pressure–volume–temperature) was studied to improve the accuracy and efficiency of reservoir fluid property prediction. Due to the limitations of traditio...

  • Article
  • Open Access
1 Citations
2,305 Views
20 Pages

Conversion of Unweighted Graphs to Weighted Graphs Satisfying Properties R and SR

  • Xiaolong Shi,
  • Saira Hameed,
  • Sadia Akhter,
  • Aysha Khan and
  • Maryam Akhoundi

9 November 2023

Spectral graph theory is like a special tool for understanding graphs. It helps us find patterns and connections in complex networks, using the magic of eigenvalues. Let G be the graph and A(G) be its adjacency matrix, then G is singular if the deter...

  • Article
  • Open Access
7 Citations
4,398 Views
12 Pages

Composite Graph Neural Networks for Molecular Property Prediction

  • Pietro Bongini,
  • Niccolò Pancino,
  • Asma Bendjeddou,
  • Franco Scarselli,
  • Marco Maggini and
  • Monica Bianchini

Graph Neural Networks have proven to be very valuable models for the solution of a wide variety of problems on molecular graphs, as well as in many other research fields involving graph-structured data. Molecules are heterogeneous graphs composed of...

  • Article
  • Open Access
3 Citations
2,438 Views
18 Pages

10 June 2023

Let G=(V,E) be a simple connected graph with vertex set V and edge set E, respectively. The term “anti-reciprocal eigenvalue property“ refers to a non-singular graph G for which, 1λσ(G), whenever λ&s...

  • Article
  • Open Access
3 Citations
2,151 Views
14 Pages

Evaluation of Transmission Properties of Networks Described with Reference Graphs Using Unevenness Coefficients

  • Sławomir Bujnowski,
  • Beata Marciniak,
  • Zbigniew Lutowski,
  • Adam Flizikowski and
  • Olutayo Oyeyemi Oyerinde

This paper discusses an evaluation method of transmission properties of networks described with regular graphs (Reference Graphs) using unevenness coefficients. The first part of the paper offers generic information about describing network topology...

  • Article
  • Open Access
772 Views
20 Pages

20 May 2025

This paper extends the concept of the total graph TΓ(R) associated with a commutative ring to the three-fold Cartesian product R=Zn×Zm×Zp, where n,m,p>1. We present complete and self-contained proofs for a wide range of graph-the...

  • Article
  • Open Access
11 Citations
5,429 Views
25 Pages

Semantic Publication of Agricultural Scientific Literature Using Property Graphs

  • Francisco Abad-Navarro,
  • José Antonio Bernabé-Diaz,
  • Alexander García-Castro and
  • Jesualdo Tomás Fernandez-Breis

26 January 2020

During the last decades, there have been significant changes in science that have provoked a big increase in the number of articles published every year. This increment implies a new difficulty for scientists, who have to do an extra effort for selec...

  • Article
  • Open Access
1,774 Views
18 Pages

Characterizations of Minimal Dominating Sets in γ-Endowed and Symmetric γ-Endowed Graphs with Applications to Structure-Property Modeling

  • Sakander Hayat,
  • Raman Sundareswaran,
  • Marayanagaraj Shanmugapriya,
  • Asad Khan,
  • Venkatasubramanian Swaminathan,
  • Mohamed Hussian Jabarullah and
  • Mohammed J. F. Alenazi

27 May 2024

Claude Berge (1987) introduced the concept of k-extendable graphs, wherein any independent set of size k is inherently a constituent of a maximum independent set within a graph H=(V,E). Graphs possessing the property of being 1-extendable are termeda...

  • Article
  • Open Access
2,124 Views
33 Pages

Despite the growing adoption of Property Graph Databases, like Neo4j, interacting with them remains difficult for non-technical users due to the reliance on formal query languages. Natural Language Interfaces (NLIs) address this by translating natura...

  • Feature Paper
  • Article
  • Open Access
23 Citations
4,537 Views
11 Pages

21 July 2023

Graph entropy plays an essential role in interpreting the structural information and complexity measure of a network. Let G be a graph of order n. Suppose dG(vi) is degree of the vertex vi for each i=1,2,,n. Now, the k-th degree-based graph e...

  • Article
  • Open Access
2 Citations
1,895 Views
13 Pages

5 February 2024

The prediction of mechanical properties of cold-rolled steel is very important for the quality control, process optimization, and cost control of cold-rolled steel, but it is still a challenging task to predict accurately. For the existing graph stru...

  • Article
  • Open Access
4 Citations
2,756 Views
20 Pages

22 February 2023

Knowledge graphs are a popular research field in artificial intelligence, and store large amounts of real-world data. Since data are enriched over time, the knowledge graph is often incomplete. Therefore, knowledge graph completion is particularly im...

  • Article
  • Open Access
30 Citations
7,889 Views
19 Pages

Chemical Graph Theory for Property Modeling in QSAR and QSPR—Charming QSAR & QSPR

  • Paulo C. S. Costa,
  • Joel S. Evangelista,
  • Igor Leal and
  • Paulo C. M. L. Miranda

29 December 2020

Quantitative structure-activity relationship (QSAR) and Quantitative structure-property relationship (QSPR) are mathematical models for the prediction of the chemical, physical or biological properties of chemical compounds. Usually, they are based o...

  • Article
  • Open Access
1 Citations
4,733 Views
18 Pages

17 February 2020

We study the emergence of cooperation in structured populations with any arrangement of cooperators and defectors on the evolutionary graph. In a computational approach using structure coefficients defined for configurations describing such arrangeme...

  • Article
  • Open Access
240 Views
30 Pages

GNN approaches to property valuation typically rely on spatial proximity, assuming that nearby properties exhibit similar price patterns. In practice, this assumption often fails as neighborhood and administrative boundaries create sharp price discon...

  • Article
  • Open Access
4 Citations
2,687 Views
18 Pages

The IRC Indices of Transformation and Derived Graphs

  • Haichang Luo,
  • Sakander Hayat,
  • Yubin Zhong,
  • Zhongyuan Peng and
  • Tamás Réti

30 March 2022

An irregularity index IR(Γ) of a graph Γ is a nonnegative numeric quantity (i.e., IR(Γ)0) such that IR(Γ)=0 iff Γ is a regular graph. In this paper, we show that IRC closely correlates with the normal boiling point T...

  • Article
  • Open Access
16 Citations
7,827 Views
32 Pages

LPG-Based Knowledge Graphs: A Survey, a Proposal and Current Trends

  • Davide Di Pierro,
  • Stefano Ferilli and
  • Domenico Redavid

1 March 2023

A significant part of the current research in the field of Artificial Intelligence is devoted to knowledge bases. New techniques and methodologies are emerging every day for the storage, maintenance and reasoning over knowledge bases. Recently, the m...

  • Review
  • Open Access
28 Citations
6,407 Views
27 Pages

The Application of Graph in BIM/GIS Integration

  • Junxiang Zhu,
  • Heap-Yih Chong,
  • Hongwei Zhao,
  • Jeremy Wu,
  • Yi Tan and
  • Honglei Xu

7 December 2022

Information exchange between building information modelling (BIM) and geographic information system (GIS) is problematic, especially in terms of semantic information. Graph-based technologies, such as the resource description framework (RDF) and the...

  • Article
  • Open Access
1 Citations
3,799 Views
26 Pages

SGIR-Tree: Integrating R-Tree Spatial Indexing as Subgraphs in Graph Database Management Systems

  • Juyoung Kim,
  • Seoyoung Hong,
  • Seungchan Jeong,
  • Seula Park and
  • Kiyun Yu

Efficient spatial query processing in Graph Database Management Systems (GDBMSs) has become increasingly important owing to the prevalence of spatial graph data. However, current GDBMSs lack effective spatial indexing, causing performance issues with...

  • Article
  • Open Access
763 Views
29 Pages

A Graph Data Model for CityGML Utility Network ADE: A Case Study on Water Utilities

  • Ensiyeh Javaherian Pour,
  • Behnam Atazadeh,
  • Abbas Rajabifard,
  • Soheil Sabri and
  • David Norris

Modelling connectivity in utility networks is essential for operational management, maintenance planning, and resilience analysis. The CityGML Utility Network Application Domain Extension (UNADE) provides a detailed conceptual framework for represent...

  • Article
  • Open Access
2 Citations
4,357 Views
21 Pages

14 August 2023

Today, as PHP application technology is becoming increasingly mature, the functions of modern multi-layer web applications are becoming more and more complete, and the complexity is also gradually increasing. While providing developers with various b...

  • Article
  • Open Access
1,587 Views
19 Pages

9 September 2024

This paper introduces the Accumulated Concept Graph (ACG), a visualization tool based on the quantile method designed to analyze three-way data, including distributional data. Such data often have complex structures that make it difficult to identify...

  • Article
  • Open Access
5 Citations
3,194 Views
13 Pages

23 August 2024

Predicting material properties has always been a challenging task in materials science. With the emergence of machine learning methodologies, new avenues have opened up. In this study, we build upon our recently developed graph neural network (GNN) a...

  • Proceeding Paper
  • Open Access
797 Views
9 Pages

In this work, the concept of equitable partition is applied to molecular graphs to define quantitative descriptors of the symmetry and complexity of molecules, with the ultimate goal of shedding new light on the structure–property relationships...

  • Article
  • Open Access
7 Citations
4,245 Views
17 Pages

24 September 2017

A graph is chordal if every induced cycle has exactly three edges. A vertex separator set in a graph is a set of vertices that disconnects two vertices. A graph is δ -hyperbolic if every geodesic triangle is δ -thin. In this paper, we study...

  • Article
  • Open Access
6 Citations
3,264 Views
17 Pages

27 February 2023

This article proposes a novel approach that leverages graph theory, machine learning, and graph embedding to evaluate research groups comprehensively. Assessing the performance and impact of research groups is crucial for funding agencies and researc...

  • Article
  • Open Access
25 Citations
5,337 Views
38 Pages

Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks

  • Oliver Wieder,
  • Mélaine Kuenemann,
  • Marcus Wieder,
  • Thomas Seidel,
  • Christophe Meyer,
  • Sharon D. Bryant and
  • Thierry Langer

13 October 2021

The accurate prediction of molecular properties, such as lipophilicity and aqueous solubility, are of great importance and pose challenges in several stages of the drug discovery pipeline. Machine learning methods, such as graph-based neural networks...

  • Article
  • Open Access
680 Views
16 Pages

On the Equational Theory of Lattice-Based Algebras for Layered Graphs

  • Zhe Yu,
  • Hao Zhan,
  • Yiheng Wang,
  • Zhe Lin and
  • Fei Liang

28 March 2025

Layered algebras are introduced and used to express layered graphs. Layered graphs are considered to be a highly effective abstract tool to manage the difficulty in conceptualizing and reasoning regarding complex systems related to coding in email ex...

  • Article
  • Open Access
724 Views
24 Pages

We investigate anomaly detection in complex networks through a property-testing-guided graph neural model (PT-GNN) that provides an end-to-end miss-probability certificate (δ+α). The method combines (i) a wedge-sampling tester that estima...

  • Article
  • Open Access
7 Citations
2,791 Views
34 Pages

13 December 2019

Graphs play a pivotal role in structuring real-world scenarios such as network security and expert systems. Numerous extensions of graph theoretical conceptions have been established for modeling uncertainty in graphical network situations. The Pytha...

  • Article
  • Open Access
1,042 Views
17 Pages

The Physical and Mechanical Properties of Arundo donax (L.) Reeds Affect Their Acoustic Quality

  • Jerzy Karczewski,
  • Izabela Potocka,
  • Mario C. De Tullio and
  • Joanna Szymanowska-Pułka

12 June 2025

Arundo donax (L.) is a perennial monocot (Poaceae) native to Asia, which has spread throughout the Mediterranean region. Its hollow stem has been used for millennia to produce reeds, thin strips whose vibration is modulated by musical instruments suc...

  • Article
  • Open Access
1,161 Views
24 Pages

15 May 2025

The application of ceramic particle-reinforced metal matrix composites (CPRMMCs) in the nuclear power sector is primarily dependent on their mechanical and thermal properties. A comprehensive understanding of the structure–property (SP) linkage...

  • Article
  • Open Access
8 Citations
1,952 Views
21 Pages

On Dihedralized Gyrogroups and Their Cayley Graphs

  • Rasimate Maungchang and
  • Teerapong Suksumran

29 June 2022

The method of constructing the generalized dihedral group as a semidirect product of an abelian group and the group Z2 of integers modulo 2 is extended to the case of gyrogroups. This leads to the study of a new class of gyrogroups, which includes ge...

  • Article
  • Open Access
1,186 Views
30 Pages

Model checking has become a widely used and precise technique for verifying software systems. However, a major challenge in model checking is state space explosion, which occurs due to the exponential memory usage required by the model checker. To ad...

  • Article
  • Open Access
36 Citations
9,121 Views
11 Pages

How Good Can the Characteristic Polynomial Be for Correlations?

  • Sorana Daniela Bolboaca and
  • Lorentz Jantschi

30 April 2007

The aim of this study was to investigate the characteristic polynomials resulting from the molecular graphs used as molecular descriptors in the characterization of the properties of chemical compounds. A formal calculus method is proposed in order t...

  • Article
  • Open Access
8 Citations
2,336 Views
17 Pages

22 October 2024

Accurate predictions of molecular properties are crucial for advancements in drug discovery and materials science. However, this task is complex and requires effective representations of molecular structures. Recently, Graph Neural Networks (GNNs) ha...

  • Article
  • Open Access
5 Citations
3,644 Views
13 Pages

Mathematical Properties on the Hyperbolicity of Interval Graphs

  • Juan C. Hernández-Gómez,
  • Rosalío Reyes,
  • José M. Rodríguez and
  • José M. Sigarreta

1 November 2017

Gromov hyperbolicity is an interesting geometric property, and so it is natural to study it in the context of geometric graphs. In particular, we are interested in interval and indifference graphs, which are important classes of intersection and Eucl...

  • Article
  • Open Access
3 Citations
2,586 Views
10 Pages

On Some Properties of Signed Cayley Graph Sn

  • Deepa Sinha,
  • Obaidullah Wardak and
  • Ayushi Dhama

27 July 2022

We define the signed Cayley graph on Cayley graph Xn denoted by Sn, and study several properties such as balancing, clusterability and sign-compatibility of the signed Cayley graph Sn. Apart from it we also study the characterization of the canonical...

  • Article
  • Open Access
3,068 Views
20 Pages

21 February 2020

In this contribution, we provide a detailed analysis of the search operation for the Interval Merging Binary Tree (IMBT), an efficient data structure proposed earlier to handle typical anomalies in the transmission of data packets. A framework is pro...

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