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Most current graph neural networks (GNNs) are designed from the view of methodology and rarely consider the inherent characters of graph. Although the inherent characters may impact the performance of GNNs, very few methods are proposed to resolve the issue. In this work, we mainly focus on improving the performance of graph convolutional networks (GCNs) on the graphs without node features. In order to resolve the issue, we propose a method called t-hopGCN to describe t-hop neighbors by the shortest path between two nodes, then the adjacency matrix of t-hop neighbors as features to perform node classification. Experimental results show that t-hopGCN can significantly improve the performance of node classification in the graphs without node features. More importantly, adding the adjacency matrix of t-hop neighbors can improve the performance of existing popular GNNs on node classification. [ABSTRACT FROM AUTHOR]

Safety and reliability are the basis of the development of a distribution network. To analyze the risk transmission process in the distribution network and ensure the safe and reliable operation of the power system, this paper intends to use the knowledge graph method to realize the risk analysis of the distribution network information system. Firstly, the knowledge graph method is used to extract and integrate the risk knowledge of the multi-dimensional information collected by the distribution network. Secondly, the knowledge graph model of distribution network risk analysis is constructed, and the multi-dimensional distribution network fault handling and knowledge graph construction oriented to the feeder and platform area are designed. The distribution line parameters of the low-voltage distribution network model, neutral point grounding mode, and different fault types are analyzed, and the non-planned island is searched based on the knowledge graph adjacency matrix. Finally, combined with the simulation experiment, it is verified that the proposed method can effectively depict the information risk process of the distribution network. The structure of this paper starts from the multi-node complex distribution network, combined with a knowledge graph and deep learning method, which can solve the distribution network fault more quickly. [ABSTRACT FROM AUTHOR]

The human brain can be regarded as a complex network with interacting connections between brain regions. Complex brain network analyses have been widely applied to functional magnetic resonance imaging (fMRI) data and have revealed the existence of community structures in brain networks. The identification of communities may provide insight into understanding the topological functions of brain networks. Among various community detection methods, the modularity maximization (MM) method has the advantages of model conciseness, fast convergence and strong adaptability to large-scale networks and has been extended from single-layer networks to multilayer networks to investigate the community structure changes of brain networks. However, the problems of MM, suffering from instability and failing to detect hierarchical community structure in networks, largely limit the application of MM in the community detection of brain networks. In this study, we proposed the weighted modularity maximization (WMM) method by using the weight matrix to weight the adjacency matrix and improve the performance of MM. Moreover, we further proposed the two-step WMM method to detect the hierarchical community structures of networks by utilizing node attributes. The results of the synthetic networks without node attributes demonstrated that WMM showed better partition accuracy than both MM and robust MM and better stability than MM. The two-step WMM method showed better accuracy of community partitioning than WMM for synthetic networks with node attributes. Moreover, the results of resting state fMRI (rs-fMRI) data showed that two-step WMM had the advantage of detecting the hierarchical communities over WMM and was more insensitive to the density of the rs-fMRI networks than WMM. [ABSTRACT FROM AUTHOR]

Drug-drug interactions (DDIs) are a critical component of drug safety surveillance. Laboratory studies aimed at detecting DDIs are typically difficult, expensive, and time-consuming; therefore, developing in-silico methods is critical. Machine learning-based approaches for DDI prediction have been developed; however, in many cases, their ability to achieve high accuracy relies on data only available towards the end of the molecule lifecycle. Here, we propose a simple yet effective similarity-based method for preclinical DDI prediction where only the chemical structure is available. We test the model on new, unseen drugs. To focus on the preclinical problem setting, we conducted a retrospective analysis and tested the models on drugs that were added to a later version of the DrugBank database. We extend an existing method, adjacency matrix factorization with propagation (AMFP), to support unseen molecules by applying a new lookup mechanism to the drugs' chemical structure, lookup adjacency matrix factorization with propagation (LAMFP). We show that using an ensemble of different similarity measures improves the results. We also demonstrate that Chemprop, a message-passing neural network, can be used for DDI prediction. In computational experiments, LAMFP results in high accuracy, with an area under the receiver operating characteristic curve of 0.82 for interactions involving a new drug and an existing drug and for interactions involving only existing drugs. Moreover, LAMFP outperforms state-of-the-art, complex graph neural network DDI prediction methods. [ABSTRACT FROM AUTHOR]

Frequent sequence pattern mining is an excellent tool to discover patterns in event chains. In complex systems, events from parallel processes are present, often without proper labelling. To identify the groups of events related to the subprocess, frequent sequential pattern mining can be applied. Since most algorithms provide too many frequent sequences that make it difficult to interpret the results, it is necessary to post-process the resulting frequent patterns. The available visualisation techniques do not allow easy access to multiple properties that support a faster and better understanding of the event scenarios. To answer this issue, our work proposes an intuitive and interactive solution to support this task, introducing three novel network-based sequence visualisation methods that can reduce the time of information processing from a cognitive perspective. The proposed visualisation methods offer a more information rich and easily understandable interpretation of sequential pattern mining results compared to the usual text-like outcome of pattern mining algorithms. The first uses the confidence values of the transitions to create a weighted network, while the second enriches the adjacency matrix based on the confidence values with similarities of the transitive nodes. The enriched matrix enables a similarity-based Multidimensional Scaling (MDS) projection of the sequences. The third method uses similarity measurement based on the overlap of the occurrences of the supporting events of the sequences. The applicability of the method is presented in an industrial alarm management problem and in the analysis of clickstreams of a website. The method was fully implemented in Python environment. The results show that the proposed methods are highly applicable for the interactive processing of frequent sequences, supporting the exploration of the inner mechanisms of complex systems. [ABSTRACT FROM AUTHOR]

Graph neural networks (GNNs), with their ability to incorporate node features into graph learning, have achieved impressive performance in many graph analysis tasks. However, current GNNs including the popular graph convolutional network (GCN) cannot obtain competitive results on the graphs without node features. In this work, we first introduce path-driven neighborhoods, and then define an extensional adjacency matrix as a convolutional operator. Second, we propose an approach named exopGCN which integrates the simple and effective convolutional operator into GCN to classify the nodes in the graphs without features. Experiments on six real-world graphs without node features indicate that exopGCN achieves better performance than other GNNs on node classification. Furthermore, by adding the simple convolutional operator into 13 GNNs, the accuracy of these methods are improved remarkably, which means that our research can offer a general skill to improve accuracy of GNNs. More importantly, we study the relationship between node classification by GCN without node features and community detection. Extensive experiments including six real-world graphs and nine synthetic graphs demonstrate that the positive relationship between them can provide a new direction on exploring the theories of GCNs. [ABSTRACT FROM AUTHOR]

We demonstrate the effective use of randomized methods for linear algebra to perform network-based analysis of complex vortical flows. Network theoretic approaches can reveal the connectivity structures among a set of vortical elements and analyze their collective dynamics. These approaches have recently been generalized to analyze high-dimensional turbulent flows, for which network computations can become prohibitively expensive. In this work, we propose efficient methods to approximate network quantities, such as the leading eigendecomposition of the adjacency matrix, using randomized methods. Specifically, we use the Nyström method to approximate the leading eigenvalues and eigenvectors, achieving significant computational savings and reduced memory requirements. The effectiveness of the proposed technique is demonstrated on two high-dimensional flow fields: two-dimensional flow past an airfoil and two-dimensional turbulence. We find that quasi-uniform column sampling outperforms uniform column sampling, while both feature the same computational complexity. [ABSTRACT FROM AUTHOR]

Using information technology to extract emergency decision-making knowledge from emergency plan documents is an essential means to enhance the efficiency and capacity of emergency management. To address the problems of numerous terminologies and complex relationships faced by emergency knowledge extraction of water diversion project, a multi-feature graph convolutional network (PTM-MFGCN) based on pre-trained model is proposed. Initially, through the utilization of random masking of domain-specific terminologies during pre-training, the model's comprehension of the meaning and application of such terminologies within specific fields is enhanced, thereby augmenting the network's proficiency in extracting professional terminologies. Furthermore, by introducing a multi-feature adjacency matrix to capture a broader range of neighboring node information, thereby enhancing the network's ability to handle complex relationships. Lastly, we utilize the PTM-MFGCN to achieve the extraction of emergency entity relationships in water diversion project, thus constructing a knowledge graph for water diversion emergency management. The experimental results demonstrate that PTM-MFGCN exhibits improvements of 2.84% in accuracy, 4.87% in recall, and 5.18% in F1 score, compared to the baseline model. Relevant studies can effectively enhance the efficiency and capability of emergency management, mitigating the impact of unforeseen events on engineering safety. [ABSTRACT FROM AUTHOR]

Despite the huge importance that the centrality metrics have in understanding the topology of a network, too little is known about the effects that small alterations in the topology of the input graph induce in the norm of the vector that stores the node centralities. If so, then it could be possible to avoid re-calculating the vector of centrality metrics if some minimal changes occur in the network topology, which would allow for significant computational savings. Hence, after formalising the notion of centrality, three of the most basic metrics were herein considered (i.e., Degree, Eigenvector, and Katz centrality). To perform the simulations, two probabilistic failure models were used to describe alterations in network topology: Uniform (i.e., all nodes can be independently deleted from the network with a fixed probability) and Best Connected (i.e., the probability a node is removed depends on its degree). Our analysis suggests that, in the case of degree, small variations in the topology of the input graph determine small variations in Degree centrality, independently of the topological features of the input graph; conversely, both Eigenvector and Katz centralities can be extremely sensitive to changes in the topology of the input graph. In other words, if the input graph has some specific features, even small changes in the topology of the input graph can have catastrophic effects on the Eigenvector or Katz centrality. [ABSTRACT FROM AUTHOR]

Entropy is an important index for describing the structure, function, and evolution of network. The existing research on entropy is primarily applied to undirected networks. Compared with an undirected network, a directed network involves a special asymmetric transfer. The research on the entropy of directed networks is very significant to effectively quantify the structural information of the whole network. Typical complex network models include nearest-neighbour coupling network, small-world network, scale-free network, and random network. These network models are abstracted as undirected graphs without considering the direction of node connection. For complex networks, modeling through the direction of network nodes is extremely challenging. In this paper, based on these typical models of complex network, a directed network model considering node connection in-direction is proposed, and the eigenvalue entropies of three matrices in the directed network is defined and studied, where the three matrices are adjacency matrix, in-degree Laplacian matrix and in-degree signless Laplacian matrix. The eigenvalue-based entropies of three matrices are calculated in directed nearest-neighbor coupling, directed small world, directed scale-free and directed random networks. Through the simulation experiment on the real directed network, the result shows that the eigenvalue entropy of the real directed network is between the eigenvalue entropy of directed scale-free network and directed small-world network. [ABSTRACT FROM AUTHOR]

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction prediction problem as a link prediction problem and present two novel methods for drug-drug interaction prediction based on artificial neural networks and factor propagation over graph nodes: adjacency matrix factorization (AMF) and adjacency matrix factorization with propagation (AMFP). We conduct a retrospective analysis by training our models on a previous release of the DrugBank database with 1,141 drugs and 45,296 drug-drug interactions and evaluate the results on a later version of DrugBank with 1,440 drugs and 248,146 drug-drug interactions. Additionally, we perform a holdout analysis using DrugBank. We report an area under the receiver operating characteristic curve score of 0.807 and 0.990 for the retrospective and holdout analyses respectively. Finally, we create an ensemble-based classifier using AMF, AMFP, and existing link prediction methods and obtain an area under the receiver operating characteristic curve of 0.814 and 0.991 for the retrospective and the holdout analyses. We demonstrate that AMF and AMFP provide state of the art results compared to existing methods and that the ensemble-based classifier improves the performance by combining various predictors. Additionally, we compare our methods with multi-source data-based predictors using cross-validation. In the multi-source data comparison, our methods outperform various ensembles created using 29 different predictors based on several data sources. These results suggest that AMF, AMFP, and the proposed ensemble-based classifier can provide important information during drug development and regarding drug prescription given only partial or noisy data. Additionally, the results indicate that the interaction network (known DDIs) is the most useful data source for identifying potential DDIs and that our methods take advantage of it better than the other methods investigated. The methods we present can also be used to solve other link prediction problems. Drug embeddings (compressed representations) created when training our models using the interaction network have been made public. [ABSTRACT FROM AUTHOR]

Highly accurate traffic flow prediction is essential for effectively managing traffic congestion, providing real-time travel advice, and reducing travel costs. However, traditional traffic flow prediction models often fail to fully consider the correlation and periodicity among traffic state data and rely on static network topology graphs. To solve this problem, this paper proposes a expressway traffic flow prediction model based on multi-feature spatial-temporal adaptive periodic fused graph convolutional network (MFSTAPFGCN). First, we make fine preprocessing of the raw data to construct a complete and accurate dataset. Second, by deeply investigating the correlation properties among section speed, traffic flow, and section saturation rate, we incorporate these features into a multi-feature temporal attention mechanism in order to dynamically model the correlation of traffic flow in different time periods. Next, we adopt a spatial-temporal adaptive fusion graph convolutional network to capture the daily cycle similarity and potential spatial-temporal dependence of traffic flow data. Finally, the superiority of the proposed MFSTAPFGCN model over the traditional baseline model is verified through comparative experiments on real Electronic Toll Collection (ETC) gantry transaction data, and the effectiveness of each module is demonstrated through ablation experiments. [ABSTRACT FROM AUTHOR]

One of the challenges in multi-omics data analysis for precision medicine is the efficient exploration of undiscovered molecular interactions in disease processes. We present BioMOBS, a workflow consisting of two data visualization tools integrated with an open-source molecular information database to perform clinically relevant analyses (https://github.com/driesheylen123/BioMOBS). We performed exploratory pathway analysis with BioMOBS and demonstrate its ability to generate relevant molecular hypotheses, by reproducing recent findings in type 2 diabetes UK biobank data. The central visualisation tool, where data-driven and literature-based findings can be integrated, is available within the github link as well. BioMOBS is a workflow that leverages information from multiple data-driven interactive analyses and visually integrates it with established pathway knowledge. The demonstrated use cases place trust in the usage of BioMOBS as a procedure to offer clinically relevant insights in disease pathway analyses on various types of omics data. [ABSTRACT FROM AUTHOR]

When studying financial markets, we often look at estimating a correlation matrix from asset returns. These tend to be noisy, with many more dimensions than samples, so often the resulting correlation matrix is filtered. Popular methods to do this include the minimum spanning tree, planar maximally filtered graph and the triangulated maximally filtered graph, which involve using the correlation network as the adjacency matrix of a graph and then using tools from graph theory. These assume the data fits some form of shape. We do not necessarily have a reason to believe that the data does fit into this shape, and there have been few empirical investigations comparing how the methods perform. In this paper we look at how the filtered networks are changed from the original networks using stock returns from the US, UK, German, Indian and Chinese markets, and at how these methods affect our ability to distinguish between datasets created from different correlation matrices using a graph embedding algorithm. We find that the relationship between the full and filtered networks depends on the data and the state of the market, and decreases as we increase the size of networks, and that the filtered networks do not provide an improvement in classification accuracy compared to the full networks. [ABSTRACT FROM AUTHOR]

Cryptography is commonly used to secure communication and data transmission over insecure networks through the use of cryptosystems. A cryptosystem is a set of cryptographic algorithms offering security facilities for maintaining more cover-ups. A substitution-box (S-box) is the lone component in a cryptosystem that gives rise to a nonlinear mapping between inputs and outputs, thus providing confusion in data. An S-box that possesses high nonlinearity and low linear and differential probability is considered cryptographically secure. In this study, a new technique is presented to construct cryptographically strong 8×8 S-boxes by applying an adjacency matrix on the Galois field GF(28). The adjacency matrix is obtained corresponding to the coset diagram for the action of modular group PSL(2,Z) on a projective line PL(F7) over a finite field F7. The strength of the proposed S-boxes is examined by common S-box tests, which validate their cryptographic strength. Moreover, we use the majority logic criterion to establish an image encryption application for the proposed S-boxes. The encryption results reveal the robustness and effectiveness of the proposed S-box design in image encryption applications. [ABSTRACT FROM AUTHOR]

Drug–drug interaction (DDI) prediction has received considerable attention from industry and academia. Most existing methods predict DDIs from drug attributes or relationships with neighbors, which does not guarantee that informative drug embeddings for prediction will be obtained. To address this limitation, we propose a multitype drug interaction prediction method based on the deep fusion of drug features and topological relationships, abbreviated DM-DDI. The proposed method adopts a deep fusion strategy to combine drug features and topologies to learn representative drug embeddings for DDI prediction. Specifically, a deep neural network model is first used on the drug feature matrix to extract feature information, while a graph convolutional network model is employed to capture structural information from the adjacency matrix. Then, we adopt delivery operations that allow the two models to exchange information between layers, as well as an attention mechanism for a weighted fusion of the two learned embeddings before the output layer. Finally, the unified drug embeddings for the downstream task are obtained. We conducted extensive experiments on real-world datasets, the experimental results demonstrated that DM-DDI achieved more accurate prediction results than state-of-the-art baselines. Furthermore, in two tasks that are more similar to real-world scenarios, DM-DDI outperformed other prediction methods for unknown drugs. [ABSTRACT FROM AUTHOR]

Protracted conflict is one of the largest human challenges that have persistently undermined economic and social progress. In recent years, there has been increased emphasis on using statistical and physical science models to better understand both the universal patterns and the underlying mechanics of conflict. Whilst macroscopic power-law fractal patterns have been shown for death-toll in wars and self-excitation models have been shown for roadside ambush attacks, very few works deal with the challenge of complex dynamics between gangs at the intra-city scale. Here, based on contributions to the historical memory of the conflict in Colombia, Medellin's gang-confrontation-network is presented. It is shown that socio-economic and violence indexes are moderate to highly correlated to the structure of the network. Specifically, the death-toll of conflict is strongly influenced by the leading eigenvalues of the gangs' conflict adjacency matrix, which serves a proxy for unstable self-excitation from revenge attacks. The distribution of links based on the geographic distance between gangs in confrontation leads to the confirmation that territorial control is a main catalyst of violence and retaliation among gangs. As a first attempt to explore the time evolution of the confrontation network, the Boltzmann-Lotka-Volterra (BLV) dynamic interaction network analysis is applied to quantify the spatial embeddedness of the dynamic relationship between conflicting gangs in Medellin. However, the non-stationary character of the violence in Medellin during the observation period restricts the application of the BLV model and results suggest that more involved and comprehensive models are needed to described the dynamics of Medellin's armed conflict. [ABSTRACT FROM AUTHOR]

Reconstruction of network is to infer the relationship among nodes using observation data, which is helpful to reveal properties and functions of complex systems. In view of the low reconstruction accuracy based on small data and the subjectivity of threshold to infer adjacency matrix, the paper proposes two models: the quadratic compressive sensing (QCS) and integer compressive sensing (ICS). Then a combined method (CCS) is given based on QCS and ICS, which can be used on binary-state and multi-state dynamics. It is found that CCS is usually a superior method comparing with compressive sensing, LASSO on several networks with different structures and scales. And it can infer larger node correctly than the other two methods. The paper is conducive to reveal the hidden relationship with small data so that to understand, predicate and control a vast intricate system. [ABSTRACT FROM AUTHOR]

Introduction: Social network strategies have been used by health departments to identify undiagnosed cases of HIV. Heterosexual cycle (HET4) of National HIV Behavioral Surveillance (NHBS) is a social network strategy implemented in jurisdictions. The main objectives of this research are to 1) evaluate the utility of the NHBS HET cycle data for network analysis; 2) to apply statistical analysis in support of previous HIV research, as well as to develop new research results focused on demographic variables and prevention/intervention with respect to heterosexual HIV risk; and 3) to employ NHBS data to inform policy with respect to the EHE plan. Method: We used data from the 2016 NHBS HET4 (DC). A total of 747 surveys were collected. We used the free social-network analysis package, GEPHI, for all network visualization using adjacency matrix representation. We additionally conducted logistic regression analysis to examine the association of selected variables with HIV status in three models representing 1) demographic and economic effects, 2) behavioral effects, and 3) prevention-intervention effects. Results: The results showed 3% were tested positive. Seed 1 initiated the largest networks with 426 nodes (15 positives); seed 4 with 273 nodes (6 positives). Seed 3 had 35 nodes (2 positives). All 23 HIV diagnoses were recruited from 4 zip-codes across DC. The risk of testing positive was higher among people high-school dropouts (Relative Risk (RR) (25.645); 95 CI% 5.699, 115.987), unemployed ((4.267); 1.295, 14.064), returning citizens ((14.319); 4.593, 44.645). We also found in the final model higher association of pre-exposure prophylaxis (PrEP) awareness among those tested negative ((4.783); 1.042, 21.944) and HIV intervention in the past 12 months with those tested positive ((17.887); 2.350,136.135). Conclusion: The network visualization was used to address the primary aim of the analysis-evaluate the success of the implementation of the NHBS as a social network strategy to find new diagnoses. NHBS remains one of the strongest behavioral supplements for DC's HIV planning activities. As part of the evaluation process our analysis helps to understand the impact of demographic, behavioral, and prevention efforts on peoples' HIV status. We strongly recommend other jurisdictions use network visualizations to evaluate the efficacy in reaching hidden populations. [ABSTRACT FROM AUTHOR]

A ventilation network feature graph can directly and quantitatively represent the features of a ventilation network. To ensure the stability of airflow in a mine and improve ventilation system analysis, we propose a new algorithm to draw ventilation network feature graphs. The independent path method serves as the algorithm's main frame, and an improved adaptive genetic algorithm is embedded so that the graph may be drawn better. A mathematical model based on the node adjacency matrix method for unidirectional circuit discrimination is constructed as the drawing algorithm may not be valid in such cases. By modifying the edge-seeking strategy, the improved depth-first search algorithm can be used to determine all of the paths in the ventilation network with unidirectional circuits, and the equivalent transformation method of network topology relations is used to draw the ventilation network feature graph. Through the analysis of the topological relation of a ventilation network, a simplified mathematical model is constructed, and network simplification technology makes the drawing concise and hierarchical. The rapid and intuitive drawing of the ventilation network feature graphs is significant for optimization of the ventilation system and day-to-day management. [ABSTRACT FROM AUTHOR]

We present a method for assembling directed networks given a prescribed bi-degree (in- and out-degree) sequence. This method utilises permutations of initial adjacency matrix assemblies that conform to the prescribed in-degree sequence, yet violate the given out-degree sequence. It combines directed edge-swapping and constrained Monte-Carlo edge-mixing for improving approximations to the given out-degree sequence until it is exactly matched. Our method permits inclusion or exclusion of 'multi-edges', allowing assembly of weighted or binary networks. It further allows prescribing the overall percentage of such multiple connections—permitting exploration of a weighted synthetic network space unlike any other method currently available for comparison of real-world networks with controlled multi-edge proportion null spaces. The graph space is sampled by the method non-uniformly, yet the algorithm provides weightings for the sample space across all possible realisations allowing computation of statistical averages of network metrics as if they were sampled uniformly. Given a sequence of in- and out- degrees, the method can also produce simple graphs for sequences that satisfy conditions of graphicality. Our method successfully builds networks with order O(107) edges on the scale of minutes with a laptop running Matlab. We provide our implementation of the method on the GitHub repository for immediate use by the research community, and demonstrate its application to three real-world networks for null-space comparisons as well as the study of dynamics of neuronal networks. [ABSTRACT FROM AUTHOR]

Complex network methodology is very useful for complex system explorer. However, the relationships among variables in complex system are usually not clear. Therefore, inferring association networks among variables from their observed data has been a popular research topic. We propose a synthetic method, named small-shuffle partial symbolic transfer entropy spectrum (SSPSTES), for inferring association network from multivariate time series. The method synthesizes surrogate data, partial symbolic transfer entropy (PSTE) and Granger causality. A proper threshold selection is crucial for common correlation identification methods and it is not easy for users. The proposed method can not only identify the strong correlation without selecting a threshold but also has the ability of correlation quantification, direction identification and temporal relation identification. The method can be divided into three layers, i.e. data layer, model layer and network layer. In the model layer, the method identifies all the possible pair-wise correlation. In the network layer, we introduce a filter algorithm to remove the indirect weak correlation and retain strong correlation. Finally, we build a weighted adjacency matrix, the value of each entry representing the correlation level between pair-wise variables, and then get the weighted directed association network. Two numerical simulated data from linear system and nonlinear system are illustrated to show the steps and performance of the proposed approach. The ability of the proposed method is approved by an application finally. [ABSTRACT FROM AUTHOR]

Background: Many complex systems can be represented as networks, and how a network breaks up into subnetworks or communities is of wide interest. However, the development of a method to detect nodes important to communities that is both fast and accurate is a very challenging and open problem. Methodology/Principal Findings: In this manuscript, we introduce a new approach to characterize the node importance to communities. First, a centrality metric is proposed to measure the importance of network nodes to community structure using the spectrum of the adjacency matrix. We define the node importance to communities as the relative change in the eigenvalues of the network adjacency matrix upon their removal. Second, we also propose an index to distinguish two kinds of important nodes in communities, i.e., ''community core'' and ''bridge''. Conclusions/Significance: Our indices are only relied on the spectrum of the graph matrix. They are applied in many artificial networks as well as many real-world networks. This new methodology gives us a basic approach to solve this challenging problem and provides a realistic result. [ABSTRACT FROM AUTHOR]

Recent evidence suggests that the quantity and quality of conscious experience may be a function of the complexity of activity in the brain and that consciousness emerges in a critical zone between low and high-entropy states. We propose fractal shapes as a measure of proximity to this critical point, as fractal dimension encodes information about complexity beyond simple entropy or randomness, and fractal structures are known to emerge in systems nearing a critical point. To validate this, we tested several measures of fractal dimension on the brain activity from healthy volunteers and patients with disorders of consciousness of varying severity. We used a Compact Box Burning algorithm to compute the fractal dimension of cortical functional connectivity networks as well as computing the fractal dimension of the associated adjacency matrices using a 2D box-counting algorithm. To test whether brain activity is fractal in time as well as space, we used the Higuchi temporal fractal dimension on BOLD time-series. We found significant decreases in the fractal dimension between healthy volunteers (n = 15), patients in a minimally conscious state (n = 10), and patients in a vegetative state (n = 8), regardless of the mechanism of injury. We also found significant decreases in adjacency matrix fractal dimension and Higuchi temporal fractal dimension, which correlated with decreasing level of consciousness. These results suggest that cortical functional connectivity networks display fractal character and that this is associated with level of consciousness in a clinically relevant population, with higher fractal dimensions (i.e. more complex) networks being associated with higher levels of consciousness. This supports the hypothesis that level of consciousness and system complexity are positively associated, and is consistent with previous EEG, MEG, and fMRI studies. [ABSTRACT FROM AUTHOR]

Drug-drug interactions (DDIs) are a critical component of drug safety surveillance. Laboratory studies aimed at detecting DDIs are typically difficult, expensive, and time-consuming; therefore, developing in-silico methods is critical. Machine learning-based approaches for DDI prediction have been developed; however, in many cases, their ability to achieve high accuracy relies on data only available towards the end of the molecule lifecycle. Here, we propose a simple yet effective similarity-based method for preclinical DDI prediction where only the chemical structure is available. We test the model on new, unseen drugs. To focus on the preclinical problem setting, we conducted a retrospective analysis and tested the models on drugs that were added to a later version of the DrugBank database. We extend an existing method, adjacency matrix factorization with propagation (AMFP), to support unseen molecules by applying a new lookup mechanism to the drugs' chemical structure, lookup adjacency matrix factorization with propagation (LAMFP). We show that using an ensemble of different similarity measures improves the results. We also demonstrate that Chemprop, a message-passing neural network, can be used for DDI prediction. In computational experiments, LAMFP results in high accuracy, with an area under the receiver operating characteristic curve of 0.82 for interactions involving a new drug and an existing drug and for interactions involving only existing drugs. Moreover, LAMFP outperforms state-of-the-art, complex graph neural network DDI prediction methods.

Predicting the transmembrane regions is an important aspect of understanding the structures and architecture of different β-barrel membrane proteins. Despite significant efforts, currently available β-transmembrane region predictors are still limited in terms of prediction accuracy, especially in precision. Here, we describe PredβTM, a transmembrane region prediction algorithm for β-barrel proteins. Using amino acid pair frequency information in known β-transmembrane protein sequences, we have trained a support vector machine classifier to predict β-transmembrane segments. Position-specific amino acid preference data is incorporated in the final prediction. The predictor does not incorporate evolutionary profile information explicitly, but is based on sequence patterns generated implicitly by encoding the protein segments using amino acid adjacency matrix. With a benchmark set of 35 β-transmembrane proteins, PredβTM shows a sensitivity and precision of 83.71% and 72.98%, respectively. The segment overlap score is 82.19%. In comparison with other state-of-art methods, PredβTM provides a higher precision and segment overlap without compromising with sensitivity. Further, we applied PredβTM to analyze the β-barrel membrane proteins without defined transmembrane regions and the uncharacterized protein sequences in eight bacterial genomes and predict possible β-transmembrane proteins. PredβTM can be freely accessed on the web at . [ABSTRACT FROM AUTHOR]

Indirect interactions between species have long been of interest to ecologists. One such interaction type takes place when energy or materials flow via one or more intermediate species between two species with a direct predator-prey relationship. Previous work has shown that, although each such flow is small, their great number makes them important in ecosystems. A new network analysis method, dynamic environ approximation, was used to quantify the fraction of energy flowing from prey to predator over paths of length greater than 1 (flow indirectness or FI) in a commonly studied food web model. Web structure was created using the niche model and dynamics followed the Yodzis-Innes model. The effect of food web size (10 to 40 species) and connectance (0.1 to 0.48) on FI was examined. For each of 250 model realizations run for each pair of size and connectance values, the FI of every predator-prey interaction in the model was computed and then averaged over the whole network. A classification and regression tree (CART) analysis was then used to find the best predictors of FI. The mean FI of the model food webs is 0.092, with a standard deviation of 0.0279. It tends to increase with system size but peaks at intermediate connectance levels. Of 27 potential predictor variables, only five (mean path length, dominant eigenvalue of the adjacency matrix, connectance, mean trophic level and fraction of species belonging to intermediate trophic levels) were selected by the CART algorithm as best accounting for variation in the data; mean path length and the dominant eigenvalue of the adjacency matrix were dominant. [ABSTRACT FROM AUTHOR]

The Yangtze River Delta (YRD) ports are pivotal in shaping the Yangtze River Economic Belt and advancing urban economies across China. This article utilizes panel data from 20 cities with ports in the YRD area, spanning from 2011 to 2020, using the spatial Durbin model to explore how these ports influence urban economic growth. The findings indicate that: (1) The YRD ports significantly contribute to economic growth in both the port cities and their surrounding areas, with the indirect impact on neighboring cities being more substantial than the direct effect on the cities themselves; (2) The beneficial spillover effects of the YRD ports on the economic growth of nearby cities vary in intensity over different spatial ranges, marked by distinct boundary effects and geographical attenuation. The influence extends up to approximately 110km; (3) Within the various elements impacting the economic growth of cities in the YRD, financial development prominently exhibits a threshold effect on urban economic growth; (4) Upon analyzing heterogeneity, inland and coastal port cities manifest divergent spillover effects, with inland port cities predominantly exerting a positive spillover on adjacent regions. Accordingly, in order to eventually achieve the shared prosperity of the region's economy, it is recommended that a strong top-level design be established and that efforts be made to transform the YRD region into a core region a diffusion and driving effect. [ABSTRACT FROM AUTHOR]

A noisy environment can considerably impact drivers' attention and fatigue, endangering driving safety. Consequently, this study designed a simulated driving experimental scenario to analyse the effects of noise generated during urban rail transit train operation on drivers' functional brain networks. The experiment recruited 16 participants, and the simulated driving scenario was conducted at noise levels of 50, 60, 70, and 80 dB. Functional connectivity between all electrode pairs across various frequency bands was evaluated using the weighted phase lag index (WPLI), and a brain network based on this was constructed. Graph theoretic analysis employed network global efficiency, degree, and clustering coefficient as metrics. Significant increases in the WPLI values of theta and alpha frequency bands were observed in high noise environments (70 dB, 80 dB), as well as enhanced brain synchronisation. Furthermore, concerning the topological metrics of brain networks, it was observed that the global efficiency of brain networks in theta and alpha frequency ranges, as well as the node degree and clustering coefficients, experienced substantial growth in high noise environments (70 dB, 80 dB) as opposed to 50 dB and 60 dB. This finding indicates that high-noise environments impact the reorganisation of functional brain networks, leading to a preference for network structures with improved global efficiency. Such findings may improve our understanding of the neural mechanisms of driving under noise exposure, and thus potentially reduce road accidents to some extent. [ABSTRACT FROM AUTHOR]

The spotted lanternfly (Lycorma delicatula) has recently spread from its native range to several other countries and forecasts predict that it may become a global invasive pest. In particular, since its confirmed presence in the United States in 2014 it has established itself as a major invasive pest in the Mid-Atlantic region where it is damaging both naturally occurring and commercially important farmed plants. Quarantine zones have been introduced to contain the infestation, but the spread to new areas continues. At present the pathways and drivers of spread are not well-understood. In particular, several human activity related factors have been proposed to contribute to the spread; however, which features of the current spread can be attributed to these factors remains unclear. Here we collect county level data on infestation status and four specific human activity related factors and use statistical methods to determine whether there is evidence for an association between the factors and infestation. Then we construct a network model based on the factors found to be associated with infestation and use it to simulate local spread. We find that the model reproduces key features of the spread 2014 to 2021. In particular, the growth of the main infestation region and the opening of spread corridors in the westward and southwestern directions is consistent with data and the model accurately forecasts the correct infestation status at the county level in 2021 with 81% accuracy. We then use the model to forecast the spread up to 2025 in a larger region. Given that this model is based on a few human activity related factors that can be targeted, it may prove useful to incorporate it into more elaborate predictive forecasting models and in informing management efforts focused on interstate highway transport and garden centers in the US and potentially for current and future invasions elsewhere globally. [ABSTRACT FROM AUTHOR]

Despite much progress in exploring the coupled epidemic-awareness dynamics in multiplex networks, little attention has been paid to the joint impacts of behavioral observability and social proof on epidemic spreading. Since both the protective actions taken by direct neighbors and the observability of these actions have essential influence on individuals' decisions. Thus, we propose a UAPU-SIR model by integrating the effects of these two factors into the decision-making process of taking preventive measures. Specifically, a new state called taken protective actions is introduced into the original unaware-aware-unaware (UAU) model to characterize the action-taken state of individuals after getting epidemic-related information. Using the Microscopic Markov Chain Approach (MMCA), the methods and model are described, and the epidemic threshold is analytically derived. We find that both observability of protecting behaviors and social proof can reduce the epidemic prevalence and raise the epidemic threshold. Moreover, only if observability of protection actions reaches a certain threshold can accelerating information diffusion is able to inhibit disease spreading and result in higher epidemic threshold. We also discover that, reducing the forgetting rate of information is able to decrease epidemic size. [ABSTRACT FROM AUTHOR]

Air-rail intermodal transportation (ARIT) plays a crucial role in China's intermodal transportation system. This study aims to model and optimize issues such as inefficiency and complexity in China's ARIT freight transportation using Business Process Reengineering and Stochastic Petri Nets theories. The Petri Net (PN) model for incoming freight transport in ARIT is based on actual operations, employing a new method involving Stochastic Petri Nets and isomorphic Markov Chains theory for performance analysis. Performance analysis results help intuitively identify areas needing optimization. Based on optimization principles, elements such as railway container packaging are improved, resulting in an optimized PN model for ARIT. Finally, data analysis shows that the optimized ARIT model reduces total delay by 7.7% compared to the original. This demonstrates that the new method, combining Markov Chain performance analysis and optimization principles, is feasible and effective for ARIT optimization. [ABSTRACT FROM AUTHOR]

Objective: Acute myocardial infarction (AMI) is a severe condition with high morbidity and mortality rates. This study aimed to identify hub genes potentially associated with AMI and assess their clinical utility in predicting AMI occurrence. Methods: Gene microarray data were obtained from the Gene Expression Omnibus (GEO) database. Differential expression analysis and weighted gene co-expression network analysis (WGCNA) were conducted on samples from patients with AMI and control samples to identify modules significantly associated with AMI. GO and KEGG analyses were applied to investigate the potential functions of these hub genes. Lastly, the mendelian randomization (MR) method was applied to analyze the causal relationship between the hub gene TNF and AMI. Results: 285 differentially expressed genes (DEGs) were identified through WCGNA and were clustered into 6 modules. The yellow module appeared most relevant to AMI. Further exploration through GO and KEGG pathway enrichment showed that key hub genes in the yellow module were linked to positive regulation of cytokine production, cytokine receptor binding, NF—kappa B signaling pathway, IL−17 signaling pathway, and TNF signaling pathway. The top 10 genes identified through Cytoscape software analysis were IL1B, TNF, TLR4, TLR2, FCGR3B, MMP9, CXCL8, TLR8, ICAM1, and JUK. Utilizing inverse variance weighting (IVW) analysis, we discovered a significant association between TNF and AMI risk, with an OR of 0.946 (95% CI = 0.911–0.984, p = 0.005). Conclusions: The result of this study indicated that TNF, TLR2, TLR4, IL1B and FCGR3B may be potential biodiagnostic markers for AMI. TNF can inhibit inflammatory and oxidative stress responses in AMI, exerting a protective role in the heart. [ABSTRACT FROM AUTHOR]