The atom-bond sum-connectivity(ABS)index,put forward by[J.Math.Chem.,2022,60(10):20812093],exhibits a strong link with the acentric factor of octane isomers.The experimental physico-chemical properties of octane isome...The atom-bond sum-connectivity(ABS)index,put forward by[J.Math.Chem.,2022,60(10):20812093],exhibits a strong link with the acentric factor of octane isomers.The experimental physico-chemical properties of octane isomers,such as boiling point,of formation are found to be better measured by the ABS index than by the Randi,atom-bond connectivity(ABC),and sum-connectivity(SC)indices.One important source of information for researching the molecular structure is the bounds for its topological indices.The extrema of the ABS index of the line,total,and Mycielski graphs are calculated in this work.Moreover,the pertinent extremal graphs were illustrated.展开更多
Let Un be the set of connected unicyclic graphs of order n and girth g.Let C(T_(1),T_(2),...,T_(g))Un be obtained from a cycle v_(1)v_(2)…v_(g)v_(1)(in the anticlockwise direction)by identifying vi with the root of a...Let Un be the set of connected unicyclic graphs of order n and girth g.Let C(T_(1),T_(2),...,T_(g))Un be obtained from a cycle v_(1)v_(2)…v_(g)v_(1)(in the anticlockwise direction)by identifying vi with the root of a rooted tree Ti of order ni for each i=1,2,...,g,where ni≥1 and∑^(g)_(i=1)n_(i)=n.Let S(n_(1),n_(2),...,n_(g))be obtained from C(T_(1),T_(2),..,T_(g))by replacing each Ti by a rooted star Sni with the center as its root.Let U(n_(1),n_(2),...,ng)be the set of unicyclic graphs which differ from the unicyclic graph S(n_(1),n_(2),...,n_(g))only up to a permutation of ni's.In this paper,the graph with the minimal least signless Laplacian eigenvalue(respectively,the graph with maximum signless Laplacian spread)in U(n_(1),n_(2),...,n_(g))is determined.展开更多
With network attack technology continuing to develop,traditional anomaly traffic detection methods that rely on feature engineering are increasingly insufficient in efficiency and accuracy.Graph Neural Network(GNN),a ...With network attack technology continuing to develop,traditional anomaly traffic detection methods that rely on feature engineering are increasingly insufficient in efficiency and accuracy.Graph Neural Network(GNN),a promising Deep Learning(DL)approach,has proven to be highly effective in identifying intricate patterns in graph⁃structured data and has already found wide applications in the field of network security.In this paper,we propose a hybrid Graph Convolutional Network(GCN)⁃GraphSAGE model for Anomaly Traffic Detection,namely HGS⁃ATD,which aims to improve the accuracy of anomaly traffic detection by leveraging edge feature learning to better capture the relationships between network entities.We validate the HGS⁃ATD model on four publicly available datasets,including NF⁃UNSW⁃NB15⁃v2.The experimental results show that the enhanced hybrid model is 5.71%to 10.25%higher than the baseline model in terms of accuracy,and the F1⁃score is 5.53%to 11.63%higher than the baseline model,proving that the model can effectively distinguish normal traffic from attack traffic and accurately classify various types of attacks.展开更多
This paper delves into effective pathways for transforming course ecosystems from resource provision to knowledge service and competency development through university-enterprise collaboration in co-building knowledge...This paper delves into effective pathways for transforming course ecosystems from resource provision to knowledge service and competency development through university-enterprise collaboration in co-building knowledge graphs and intelligent shared courses.This approach enables personalized,learning-driven teaching.Based on knowledge graphs and integrated teacher-machine-student smart teaching scenarios,it not only innovates autonomous learning environments and human-computer interaction models while optimizing teaching experiences for both instructors and students,but also effectively addresses the issues of students’“scattered,superficial,and fragmented learning”.This establishes the foundation for personalized teaching tailored to individual aptitudes.展开更多
Knowledge graphs,which combine structured representation with semantic modeling,have shown great potential in knowledge expression,causal inference,and automated reasoning,and are widely used in fields such as intelli...Knowledge graphs,which combine structured representation with semantic modeling,have shown great potential in knowledge expression,causal inference,and automated reasoning,and are widely used in fields such as intelligent question answering,decision support,and fault diagnosis.As high-speed train systems become increasingly intelligent and interconnected,fault patterns have grown more complex and dynamic.Knowledge graphs offer a promising solution to support the structured management and real-time reasoning of fault knowledge,addressing key requirements such as interpretability,accuracy,and continuous evolution in intelligent diagnostic systems.However,conventional knowledge graph construction relies heavily on domain expertise and specialized tools,resulting in high entry barriers for non-experts and limiting their practical application in frontline maintenance scenarios.To address this limitation,this paper proposes a fault knowledge modeling approach for high-speed trains that integrates structured logic diagrams with knowledge graphs.The method employs a seven-layer logic structure—comprising fault name,applicable vehicles,diagnostic logic,signal parameters,verification conditions,fault causes,and emergency measures—to transform unstructured knowledge into a visual and hierarchical representation.A semantic mapping mechanism is then used to automatically convert logic diagrams into machine-interpretable knowledge graphs,enabling dynamic reasoning and knowledge reuse.Furthermore,the proposed method establishes a three-layer architecture—logic structuring,knowledge graph transformation,and dynamic inference—to bridge human-expert logic with machinebased reasoning.Experimental validation and system implementation demonstrate that this approach not only improves knowledge interpretability and inference precision but also significantly enhances modeling efficiency and system maintainability.It provides a scalable and adaptable solution for intelligent operation and maintenance platforms in the high-speed rail domain.展开更多
The node labels collected from real-world applications are often accompanied by the occurrence of in-distribution noise(seen class nodes with wrong labels) and out-of-distribution noise(unseen class nodes with seen cl...The node labels collected from real-world applications are often accompanied by the occurrence of in-distribution noise(seen class nodes with wrong labels) and out-of-distribution noise(unseen class nodes with seen class labels), which significantly degrade the superior performance of recently emerged open-set graph neural networks(GNN). Nowadays, only a few researchers have attempted to introduce sample selection strategies developed in non-graph areas to limit the influence of noisy node labels. These studies often neglect the impact of inaccurate graph structure relationships, invalid utilization of noisy nodes and unlabeled nodes self-supervision information for noisy node labels constraint. More importantly, simply enhancing the accuracy of graph structure relationships or the utilization of nodes' self-supervision information still cannot minimize the influence of noisy node labels for open-set GNN. In this paper, we propose a novel RT-OGNN(robust training of open-set GNN) framework to solve the above-mentioned issues. Specifically, an effective graph structure learning module is proposed to weaken the impact of structure noise and extend the receptive field of nodes. Then, the augmented graph is sent to a pair of peer GNNs to accurately distinguish noisy node labels of labeled nodes. Third, the label propagation and multilayer perceptron-based decoder modules are simultaneously introduced to discover more supervision information from remaining nodes apart from clean nodes. Finally, we jointly optimize the above modules and open-set GNN in an end-to-end way via consistency regularization loss and cross-entropy loss, which minimizes the influence of noisy node labels and provides more supervision guidance for open-set GNN optimization.Extensive experiments on three benchmarks and various noise rates validate the superiority of RT-OGNN over state-of-the-art models.展开更多
基于深度学习的网络攻击检测是对欧几里得数据进行建模,无法学习攻击数据中的结构特征。为此,提出一种基于改进图采样与聚合(graph sample and aggregate,GraphSAGE)的网络攻击检测算法。首先,将攻击数据从平面结构转换为图结构数据。其...基于深度学习的网络攻击检测是对欧几里得数据进行建模,无法学习攻击数据中的结构特征。为此,提出一种基于改进图采样与聚合(graph sample and aggregate,GraphSAGE)的网络攻击检测算法。首先,将攻击数据从平面结构转换为图结构数据。其次,对GraphSAGE算法进行了改进,包括在消息传递阶段融合节点和边的特征,同时在消息聚合过程中考虑不同源节点对目标节点的影响程度,并在边嵌入生成时引入残差学习机制。在两个公开网络攻击数据集上的实验结果表明,在二分类情况下,所提算法的总体性能优于E-GraphSAGE、LSTM、RNN、CNN算法;在多分类情况下,所提算法在大多数攻击类型上的F1值高于对比算法。展开更多
Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experiment...Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experimental trial-and-error processes.However,existing methods,limited by static structural descriptors such as chemical composition and lattice parameters,fail to account for atomic vibrations,which may introduce spurious correlations and undermine predictive reliability.Here,we propose a deep learning model termed integrating graph and dynamical stability(IGDS)for predicting the synthesizability of inorganic crystals.IGDS employs graph representation learning to construct crystal graphs that precisely capture the static structures of crystals and integrates phonon spectral features extracted from pre-trained machine learning interatomic potentials to represent their dynamic properties.Our model exhibits outstanding performance in predicting the synthesizability of low-energy unsynthesizable crystals across 41 material systems,achieving precision and recall values of 0.916/0.863 for ternary compounds.By capturing both static structural descriptors and dynamic features,IGDS provides a physics-informed method for predicting the synthesizability of inorganic crystals.This approach bridges the gap between theoretical design concepts and their practical implementation,thereby streamlining the development cycle of new materials and enhancing overall research efficiency.展开更多
In this paper,we first give a sufficient condition for a graph being fractional ID-[a,b]-factor-critical covered in terms of its independence number and minimum degree,which partially answers the problem posed by Sizh...In this paper,we first give a sufficient condition for a graph being fractional ID-[a,b]-factor-critical covered in terms of its independence number and minimum degree,which partially answers the problem posed by Sizhong Zhou,Hongxia Liu and Yang Xu(2022).Then,an A_(α)-spectral condition is given to ensure that G is a fractional ID-[a,b]-factor-critical covered graph and an(a,b,k)-factor-critical graph,respectively.In fact,(a,b,k)-factor-critical graph is a graph which has an[a,b]-factor for k=0.Thus,these above results extend the results of Jia Wei and Shenggui Zhang(2023)and Ao Fan,Ruifang Liu and Guoyan Ao(2023)in some sense.展开更多
A graph G is H-free,if it contains no H as a subgraph.A graph G is said to be H-minor free,if it does not contain H as a minor.In 2010,Nikiforov asked that what the maximum spectral radius of an H-free graph of order ...A graph G is H-free,if it contains no H as a subgraph.A graph G is said to be H-minor free,if it does not contain H as a minor.In 2010,Nikiforov asked that what the maximum spectral radius of an H-free graph of order n is.In this paper,we consider some Brualdi-Solheid-Turan type problems on bipartite graphs.In 2015,Zhai,Lin and Gong in[Linear Algebra Appl.,2015,471:21-27]proved that if G is a bipartite graph with order n≥2k+2 and ρ(G)≥ρ(K_(k,n-k)),then G contains a C_(2k+2) unless G≌K_(k,n-k).First,we give a new and more simple proof for the above theorem.Second,we prove that if G is a bipartite graph with order n≥2k+2 and ρ(G)≥ρ(K_(k,n-k)),then G contains all T_(2k+3) unless G≌K_(k,n-k).Finally,we prove that among all outerplanar bipartite graphs on n≥308026 vertices,K_(1,n-1) attains the maximum spectral radius.展开更多
The concept of matching energy was proposed by Gutman and Wagner firstly in 2012. Let G be a simple graph of order n and λ1, λ2, . . . , λn be the zeros of its matching polynomial. The matching energy of a graph G ...The concept of matching energy was proposed by Gutman and Wagner firstly in 2012. Let G be a simple graph of order n and λ1, λ2, . . . , λn be the zeros of its matching polynomial. The matching energy of a graph G is defined as ME(G) = Pni=1 |λi|. By the famous Coulson’s formula, matching energies can also be calculated by an improper integral depending on a parameter. A k-claw attaching graph Gu(k) refers to the graph obtained by attaching k pendent edges to the graph G at the vertex u, where u is called the root of Gu(k). In this paper, we use some theories of mathematical analysis to obtain a new technique to compare the matching energies of two k-claw attaching graphs Gu(k) and Hv(k) with the same order, that is, limk→∞[ME(Gu(k)) − ME(Hv(k))] = ME(G − u) − ME(H − v). By the technique, we finally determine unicyclic graphs of order n with the 9th to 13th minimal matching energies for all n ≥ 58.展开更多
Determining the crossing number of a given graph is NP-complete. The cycle of length m is denoted by Cm = v1v2…vmv1. G^((1))_(m) (m ≥ 5) is the graph obtained from Cm by adding two edges v1v3 and vlvl+2 (3 ≤ l ≤ m...Determining the crossing number of a given graph is NP-complete. The cycle of length m is denoted by Cm = v1v2…vmv1. G^((1))_(m) (m ≥ 5) is the graph obtained from Cm by adding two edges v1v3 and vlvl+2 (3 ≤ l ≤ m−2), G^((2))m (m ≥ 4) is the graph obtained from Cm by adding two edges v1v3 and v2v4. The famous Zarankiewicz’s conjecture on the crossing number of the complete bipartite graph Km,n states that cr(Km,n)=Z(m,n)=[m/2][m-1/2][n/2[n-1/2].Based on Zarankiewicz’s conjecture, a natural problem is to study the change in the crossingnumber of the graphs obtained from the complete bipartite graph by adding certain edge sets.If Zarankiewicz’s conjecture is true, this paper proves that cr(G^((1))_(m)+Kn)=Z(m,n)+2[n/2] and cr(G^((2))_(m)+Kn)=Z(m,n)+n.展开更多
A graph G is called d-degenerate if every subgraph of G has a vertex of degree at most d.It was known that planar graphs are 5-degenerate and every planar graph without k-cycles for some prescribed k∈{3,5,6}is 3-dege...A graph G is called d-degenerate if every subgraph of G has a vertex of degree at most d.It was known that planar graphs are 5-degenerate and every planar graph without k-cycles for some prescribed k∈{3,5,6}is 3-degenerate.In this paper,we show that if G is a planar graph without kites and 9-or 10-cycles,then G is 3-degenerate,hence 4-choosable and list vertex 2-arborable.展开更多
DP-coloring as a generalization of list coloring was introduced recently by Dvo˘r´ak and Postle.In this paper,we show that planar graphs without 5-cycles adjacent to two triangles are DP-4-colorable,which improve...DP-coloring as a generalization of list coloring was introduced recently by Dvo˘r´ak and Postle.In this paper,we show that planar graphs without 5-cycles adjacent to two triangles are DP-4-colorable,which improves the results of[Discrete Math.,2018,341(7):1983–1986]and[Discrete Appl.Math.,2020,277:245–251].展开更多
For a graph G,a vertex is said to be pendant if its neighborhood contains exactly one vertex.In this paper,we determine the extremal graphs among all n-vertex graphs with the minimum spectral radius andβpendant verti...For a graph G,a vertex is said to be pendant if its neighborhood contains exactly one vertex.In this paper,we determine the extremal graphs among all n-vertex graphs with the minimum spectral radius andβpendant vertices,whereβe{1,2,3,4,n-3,n-2,n-1}.展开更多
Given two graphs G and H,the Ramsey number R(G,H)is the smallest positive integer N such that every 2-coloring of the edges of K_(N)contains either a red G or a blue H.Let K_(N-1)■K_(1,k)be the graph obtained from K_...Given two graphs G and H,the Ramsey number R(G,H)is the smallest positive integer N such that every 2-coloring of the edges of K_(N)contains either a red G or a blue H.Let K_(N-1)■K_(1,k)be the graph obtained from K_(N-1)by adding anew vertexνconnecting k vertices of K_(N-1).A graph G withχ(G)=k+1 is called edge-critical if G contains an edge e such thatχ(G-e)=k.A considerable amount of research has been conducted by previous scholars on Ramsey numbers ofgraphs.In this study,we show that for an edge-critical graph G with x(G)=k+1,when k≥2,1≥2,and n is sufficiently large,R(G,K_(1)+nK_(t))=knt+1 and r,(G,K_(1)+nK_(t))=(k-1)nt+1.展开更多
A dominating induced matching(DIM)of G is an induced matching that dominates every edge of G.In this note,we completely determine the number of DIMs in the generalized Petersen graph P(n,k).We prove that if P(n,k)is a...A dominating induced matching(DIM)of G is an induced matching that dominates every edge of G.In this note,we completely determine the number of DIMs in the generalized Petersen graph P(n,k).We prove that if P(n,k)is a generalized Petersen graph with n=0(mod 5)and k=2,3(mod 5),then E(P(n,k))can be partitioned into five DIMs.Meanwhile,in the left cases k=0,1,4(mod 5),we build some counterexamples to show that there exist some P(n,k)'s which are DIM-free.展开更多
基金Supported by Ningbo NSF(No.2021J234)Zhejiang Provincial Philosophy and Social Sciences Planning Project(No.24NDJC057YB)。
文摘The atom-bond sum-connectivity(ABS)index,put forward by[J.Math.Chem.,2022,60(10):20812093],exhibits a strong link with the acentric factor of octane isomers.The experimental physico-chemical properties of octane isomers,such as boiling point,of formation are found to be better measured by the ABS index than by the Randi,atom-bond connectivity(ABC),and sum-connectivity(SC)indices.One important source of information for researching the molecular structure is the bounds for its topological indices.The extrema of the ABS index of the line,total,and Mycielski graphs are calculated in this work.Moreover,the pertinent extremal graphs were illustrated.
基金This research is supported by NSFC(Nos.12171154,12301438)the Chenguang Program of Shanghai Education Development Foundation and Shanghai Municipal Education Commission(No.23CGA37)。
文摘Let Un be the set of connected unicyclic graphs of order n and girth g.Let C(T_(1),T_(2),...,T_(g))Un be obtained from a cycle v_(1)v_(2)…v_(g)v_(1)(in the anticlockwise direction)by identifying vi with the root of a rooted tree Ti of order ni for each i=1,2,...,g,where ni≥1 and∑^(g)_(i=1)n_(i)=n.Let S(n_(1),n_(2),...,n_(g))be obtained from C(T_(1),T_(2),..,T_(g))by replacing each Ti by a rooted star Sni with the center as its root.Let U(n_(1),n_(2),...,ng)be the set of unicyclic graphs which differ from the unicyclic graph S(n_(1),n_(2),...,n_(g))only up to a permutation of ni's.In this paper,the graph with the minimal least signless Laplacian eigenvalue(respectively,the graph with maximum signless Laplacian spread)in U(n_(1),n_(2),...,n_(g))is determined.
基金National Natural Science Foundation of China(Grant No.62103434)National Science Fund for Distinguished Young Scholars(Grant No.62176263).
文摘With network attack technology continuing to develop,traditional anomaly traffic detection methods that rely on feature engineering are increasingly insufficient in efficiency and accuracy.Graph Neural Network(GNN),a promising Deep Learning(DL)approach,has proven to be highly effective in identifying intricate patterns in graph⁃structured data and has already found wide applications in the field of network security.In this paper,we propose a hybrid Graph Convolutional Network(GCN)⁃GraphSAGE model for Anomaly Traffic Detection,namely HGS⁃ATD,which aims to improve the accuracy of anomaly traffic detection by leveraging edge feature learning to better capture the relationships between network entities.We validate the HGS⁃ATD model on four publicly available datasets,including NF⁃UNSW⁃NB15⁃v2.The experimental results show that the enhanced hybrid model is 5.71%to 10.25%higher than the baseline model in terms of accuracy,and the F1⁃score is 5.53%to 11.63%higher than the baseline model,proving that the model can effectively distinguish normal traffic from attack traffic and accurately classify various types of attacks.
基金supported by Harbin Institute of Technology High-level Teaching Achievement Award(National Level)Cultivation Project(256709).
文摘This paper delves into effective pathways for transforming course ecosystems from resource provision to knowledge service and competency development through university-enterprise collaboration in co-building knowledge graphs and intelligent shared courses.This approach enables personalized,learning-driven teaching.Based on knowledge graphs and integrated teacher-machine-student smart teaching scenarios,it not only innovates autonomous learning environments and human-computer interaction models while optimizing teaching experiences for both instructors and students,but also effectively addresses the issues of students’“scattered,superficial,and fragmented learning”.This establishes the foundation for personalized teaching tailored to individual aptitudes.
基金support from the Scientific Funding for the Center of National Railway Intelligent Transportation System Engineering and Technology,China Academy of Railway Sciences Corporation Limited(Grant No.2023YJ354)。
文摘Knowledge graphs,which combine structured representation with semantic modeling,have shown great potential in knowledge expression,causal inference,and automated reasoning,and are widely used in fields such as intelligent question answering,decision support,and fault diagnosis.As high-speed train systems become increasingly intelligent and interconnected,fault patterns have grown more complex and dynamic.Knowledge graphs offer a promising solution to support the structured management and real-time reasoning of fault knowledge,addressing key requirements such as interpretability,accuracy,and continuous evolution in intelligent diagnostic systems.However,conventional knowledge graph construction relies heavily on domain expertise and specialized tools,resulting in high entry barriers for non-experts and limiting their practical application in frontline maintenance scenarios.To address this limitation,this paper proposes a fault knowledge modeling approach for high-speed trains that integrates structured logic diagrams with knowledge graphs.The method employs a seven-layer logic structure—comprising fault name,applicable vehicles,diagnostic logic,signal parameters,verification conditions,fault causes,and emergency measures—to transform unstructured knowledge into a visual and hierarchical representation.A semantic mapping mechanism is then used to automatically convert logic diagrams into machine-interpretable knowledge graphs,enabling dynamic reasoning and knowledge reuse.Furthermore,the proposed method establishes a three-layer architecture—logic structuring,knowledge graph transformation,and dynamic inference—to bridge human-expert logic with machinebased reasoning.Experimental validation and system implementation demonstrate that this approach not only improves knowledge interpretability and inference precision but also significantly enhances modeling efficiency and system maintainability.It provides a scalable and adaptable solution for intelligent operation and maintenance platforms in the high-speed rail domain.
基金supported by the General Program of the National Natural Science Foundation of China (Grant No.62575116)the National Natural Science Foundation of China (Grant No.62262005)+1 种基金the High-level Innovative Talents in Guizhou Province (Grant No.GCC[2023]033)the Open Project of the Text Computing and Cognitive Intelligence Ministry of Education Engineering Research Center(Grant No.TCCI250208)。
文摘The node labels collected from real-world applications are often accompanied by the occurrence of in-distribution noise(seen class nodes with wrong labels) and out-of-distribution noise(unseen class nodes with seen class labels), which significantly degrade the superior performance of recently emerged open-set graph neural networks(GNN). Nowadays, only a few researchers have attempted to introduce sample selection strategies developed in non-graph areas to limit the influence of noisy node labels. These studies often neglect the impact of inaccurate graph structure relationships, invalid utilization of noisy nodes and unlabeled nodes self-supervision information for noisy node labels constraint. More importantly, simply enhancing the accuracy of graph structure relationships or the utilization of nodes' self-supervision information still cannot minimize the influence of noisy node labels for open-set GNN. In this paper, we propose a novel RT-OGNN(robust training of open-set GNN) framework to solve the above-mentioned issues. Specifically, an effective graph structure learning module is proposed to weaken the impact of structure noise and extend the receptive field of nodes. Then, the augmented graph is sent to a pair of peer GNNs to accurately distinguish noisy node labels of labeled nodes. Third, the label propagation and multilayer perceptron-based decoder modules are simultaneously introduced to discover more supervision information from remaining nodes apart from clean nodes. Finally, we jointly optimize the above modules and open-set GNN in an end-to-end way via consistency regularization loss and cross-entropy loss, which minimizes the influence of noisy node labels and provides more supervision guidance for open-set GNN optimization.Extensive experiments on three benchmarks and various noise rates validate the superiority of RT-OGNN over state-of-the-art models.
文摘基于深度学习的网络攻击检测是对欧几里得数据进行建模,无法学习攻击数据中的结构特征。为此,提出一种基于改进图采样与聚合(graph sample and aggregate,GraphSAGE)的网络攻击检测算法。首先,将攻击数据从平面结构转换为图结构数据。其次,对GraphSAGE算法进行了改进,包括在消息传递阶段融合节点和边的特征,同时在消息聚合过程中考虑不同源节点对目标节点的影响程度,并在边嵌入生成时引入残差学习机制。在两个公开网络攻击数据集上的实验结果表明,在二分类情况下,所提算法的总体性能优于E-GraphSAGE、LSTM、RNN、CNN算法;在多分类情况下,所提算法在大多数攻击类型上的F1值高于对比算法。
文摘Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experimental trial-and-error processes.However,existing methods,limited by static structural descriptors such as chemical composition and lattice parameters,fail to account for atomic vibrations,which may introduce spurious correlations and undermine predictive reliability.Here,we propose a deep learning model termed integrating graph and dynamical stability(IGDS)for predicting the synthesizability of inorganic crystals.IGDS employs graph representation learning to construct crystal graphs that precisely capture the static structures of crystals and integrates phonon spectral features extracted from pre-trained machine learning interatomic potentials to represent their dynamic properties.Our model exhibits outstanding performance in predicting the synthesizability of low-energy unsynthesizable crystals across 41 material systems,achieving precision and recall values of 0.916/0.863 for ternary compounds.By capturing both static structural descriptors and dynamic features,IGDS provides a physics-informed method for predicting the synthesizability of inorganic crystals.This approach bridges the gap between theoretical design concepts and their practical implementation,thereby streamlining the development cycle of new materials and enhancing overall research efficiency.
基金Supported by the National Natural Science Foundation of China(Grant Nos.11961041,12261055)the Key Project of Natural Science Foundation of Gansu Province(Grant No.24JRRA222)the Foundation for Innovative Fundamental Research Group Project of Gansu Province(Grant No.25JRRA805).
文摘In this paper,we first give a sufficient condition for a graph being fractional ID-[a,b]-factor-critical covered in terms of its independence number and minimum degree,which partially answers the problem posed by Sizhong Zhou,Hongxia Liu and Yang Xu(2022).Then,an A_(α)-spectral condition is given to ensure that G is a fractional ID-[a,b]-factor-critical covered graph and an(a,b,k)-factor-critical graph,respectively.In fact,(a,b,k)-factor-critical graph is a graph which has an[a,b]-factor for k=0.Thus,these above results extend the results of Jia Wei and Shenggui Zhang(2023)and Ao Fan,Ruifang Liu and Guoyan Ao(2023)in some sense.
基金Supported by NSFC(No.12271162)Natural Science Foundation of Shanghai(No.22ZR1416300).
文摘A graph G is H-free,if it contains no H as a subgraph.A graph G is said to be H-minor free,if it does not contain H as a minor.In 2010,Nikiforov asked that what the maximum spectral radius of an H-free graph of order n is.In this paper,we consider some Brualdi-Solheid-Turan type problems on bipartite graphs.In 2015,Zhai,Lin and Gong in[Linear Algebra Appl.,2015,471:21-27]proved that if G is a bipartite graph with order n≥2k+2 and ρ(G)≥ρ(K_(k,n-k)),then G contains a C_(2k+2) unless G≌K_(k,n-k).First,we give a new and more simple proof for the above theorem.Second,we prove that if G is a bipartite graph with order n≥2k+2 and ρ(G)≥ρ(K_(k,n-k)),then G contains all T_(2k+3) unless G≌K_(k,n-k).Finally,we prove that among all outerplanar bipartite graphs on n≥308026 vertices,K_(1,n-1) attains the maximum spectral radius.
基金Supported by the National Natural Science Foundation of China(Nos.12271439,11871398)the National College Students Innovation and Entrepreneurship Training Program(No.201910699173)。
文摘The concept of matching energy was proposed by Gutman and Wagner firstly in 2012. Let G be a simple graph of order n and λ1, λ2, . . . , λn be the zeros of its matching polynomial. The matching energy of a graph G is defined as ME(G) = Pni=1 |λi|. By the famous Coulson’s formula, matching energies can also be calculated by an improper integral depending on a parameter. A k-claw attaching graph Gu(k) refers to the graph obtained by attaching k pendent edges to the graph G at the vertex u, where u is called the root of Gu(k). In this paper, we use some theories of mathematical analysis to obtain a new technique to compare the matching energies of two k-claw attaching graphs Gu(k) and Hv(k) with the same order, that is, limk→∞[ME(Gu(k)) − ME(Hv(k))] = ME(G − u) − ME(H − v). By the technique, we finally determine unicyclic graphs of order n with the 9th to 13th minimal matching energies for all n ≥ 58.
基金Supported by Changsha Natural Science Foundation(No.kq2208001)the Key Project Funded by Hunan Provincial Department of Education(No.21A0590)。
文摘Determining the crossing number of a given graph is NP-complete. The cycle of length m is denoted by Cm = v1v2…vmv1. G^((1))_(m) (m ≥ 5) is the graph obtained from Cm by adding two edges v1v3 and vlvl+2 (3 ≤ l ≤ m−2), G^((2))m (m ≥ 4) is the graph obtained from Cm by adding two edges v1v3 and v2v4. The famous Zarankiewicz’s conjecture on the crossing number of the complete bipartite graph Km,n states that cr(Km,n)=Z(m,n)=[m/2][m-1/2][n/2[n-1/2].Based on Zarankiewicz’s conjecture, a natural problem is to study the change in the crossingnumber of the graphs obtained from the complete bipartite graph by adding certain edge sets.If Zarankiewicz’s conjecture is true, this paper proves that cr(G^((1))_(m)+Kn)=Z(m,n)+2[n/2] and cr(G^((2))_(m)+Kn)=Z(m,n)+n.
文摘A graph G is called d-degenerate if every subgraph of G has a vertex of degree at most d.It was known that planar graphs are 5-degenerate and every planar graph without k-cycles for some prescribed k∈{3,5,6}is 3-degenerate.In this paper,we show that if G is a planar graph without kites and 9-or 10-cycles,then G is 3-degenerate,hence 4-choosable and list vertex 2-arborable.
基金Partially supported by NSFC(No.12301436)NSF of Guangxi Province(No.2025GXNSFAA069811)。
文摘DP-coloring as a generalization of list coloring was introduced recently by Dvo˘r´ak and Postle.In this paper,we show that planar graphs without 5-cycles adjacent to two triangles are DP-4-colorable,which improves the results of[Discrete Math.,2018,341(7):1983–1986]and[Discrete Appl.Math.,2020,277:245–251].
文摘For a graph G,a vertex is said to be pendant if its neighborhood contains exactly one vertex.In this paper,we determine the extremal graphs among all n-vertex graphs with the minimum spectral radius andβpendant vertices,whereβe{1,2,3,4,n-3,n-2,n-1}.
基金supported by the National Key Research and Development Program of China(2023YFA1010200,2020YFA0713100)the National Natural Science Foundation of China(12071453)the Innovation Program for Quantum Science and Technology(2021ZD0302902).
文摘Given two graphs G and H,the Ramsey number R(G,H)is the smallest positive integer N such that every 2-coloring of the edges of K_(N)contains either a red G or a blue H.Let K_(N-1)■K_(1,k)be the graph obtained from K_(N-1)by adding anew vertexνconnecting k vertices of K_(N-1).A graph G withχ(G)=k+1 is called edge-critical if G contains an edge e such thatχ(G-e)=k.A considerable amount of research has been conducted by previous scholars on Ramsey numbers ofgraphs.In this study,we show that for an edge-critical graph G with x(G)=k+1,when k≥2,1≥2,and n is sufficiently large,R(G,K_(1)+nK_(t))=knt+1 and r,(G,K_(1)+nK_(t))=(k-1)nt+1.
基金Ming Chen was supported by National Key Research and Development Program of China(No.2024YFA1013900)。
文摘A dominating induced matching(DIM)of G is an induced matching that dominates every edge of G.In this note,we completely determine the number of DIMs in the generalized Petersen graph P(n,k).We prove that if P(n,k)is a generalized Petersen graph with n=0(mod 5)and k=2,3(mod 5),then E(P(n,k))can be partitioned into five DIMs.Meanwhile,in the left cases k=0,1,4(mod 5),we build some counterexamples to show that there exist some P(n,k)'s which are DIM-free.
