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Bayesian Optimization of Functions over Node Subsets in Graphs

Neural Information Processing Systems

We address the problem of optimizing over functions defined on node subsets in a graph. The optimization of such functions is often a non-trivial task given their combinatorial, black-box and expensive-to-evaluate nature. Although various algorithms have been introduced in the literature, most are either task-specific or computationally inefficient and only utilize information about the graph structure without considering the characteristics of the function. To address these limitations, we utilize Bayesian Optimization (BO), a sample-efficient black-box solver, and propose a novel framework for combinatorial optimization on graphs. More specifically, we map each k -node subset in the original graph to a node in a new combinatorial graph and adopt a local modeling approach to efficiently traverse the latter graph by progressively sampling its subgraphs using a recursive algorithm.


Matrix-weighted networks for modeling multidimensional dynamics

Tian, Yu, Kojaku, Sadamori, Sayama, Hiroki, Lambiotte, Renaud

arXiv.org Artificial Intelligence

Networks are powerful tools for modeling interactions in complex systems. While traditional networks use scalar edge weights, many real-world systems involve multidimensional interactions. For example, in social networks, individuals often have multiple interconnected opinions that can affect different opinions of other individuals, which can be better characterized by matrices. We propose a novel, general framework for modeling such multidimensional interacting dynamics: matrix-weighted networks (MWNs). We present the mathematical foundations of MWNs and examine consensus dynamics and random walks within this context. Our results reveal that the coherence of MWNs gives rise to non-trivial steady states that generalize the notions of communities and structural balance in traditional networks.


Bayesian Optimization of Functions over Node Subsets in Graphs

Liang, Huidong, Wan, Xingchen, Dong, Xiaowen

arXiv.org Machine Learning

We address the problem of optimizing over functions defined on node subsets in a graph. The optimization of such functions is often a non-trivial task given their combinatorial, black-box and expensive-to-evaluate nature. Although various algorithms have been introduced in the literature, most are either task-specific or computationally inefficient and only utilize information about the graph structure without considering the characteristics of the function. To address these limitations, we utilize Bayesian Optimization (BO), a sample-efficient black-box solver, and propose a novel framework for combinatorial optimization on graphs. More specifically, we map each $k$-node subset in the original graph to a node in a new combinatorial graph and adopt a local modeling approach to efficiently traverse the latter graph by progressively sampling its subgraphs using a recursive algorithm. Extensive experiments under both synthetic and real-world setups demonstrate the effectiveness of the proposed BO framework on various types of graphs and optimization tasks, where its behavior is analyzed in detail with ablation studies.


Structural Balance and Random Walks on Complex Networks with Complex Weights

Tian, Yu, Lambiotte, Renaud

arXiv.org Artificial Intelligence

Complex numbers define the relationship between entities in many situations. A canonical example would be the off-diagonal terms in a Hamiltonian matrix in quantum physics. Recent years have seen an increasing interest to extend the tools of network science when the weight of edges are complex numbers. Here, we focus on the case when the weight matrix is Hermitian, a reasonable assumption in many applications, and investigate both structural and dynamical properties of the complex-weighted networks. Building on concepts from signed graphs, we introduce a classification of complex-weighted networks based on the notion of structural balance, and illustrate the shared spectral properties within each type. We then apply the results to characterise the dynamics of random walks on complex-weighted networks, where local consensus can be achieved asymptotically when the graph is structurally balanced, while global consensus will be obtained when it is strictly unbalanced. Finally, we explore potential applications of our findings by generalising the notion of cut, and propose an associated spectral clustering algorithm. We also provide further characteristics of the magnetic Laplacian, associating directed networks to complex-weighted ones. The performance of the algorithm is verified on both synthetic and real networks.