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In this paper we give the first efficient algorithms for the $k$-center problem on dynamic graphs undergoing edge updates. In this problem, the goal is to partition the input into $k$ sets by choosing $k$ centers such that the maximum distance from any data point to the closest center is minimized. It is known that it is NP-hard to get a better than $2$ approximation for this problem. While in many applications the input may naturally be modeled as a graph, all prior works on $k$-center problem in dynamic settings are on metrics. In this paper, we give a deterministic decremental $(2+\epsilon)$-approximation algorithm and a randomized incremental $(4+\epsilon)$-approximation algorithm, both with amortized update time $kn^{o(1)}$ for weighted graphs. Moreover, we show a reduction that leads to a fully dynamic $(2+\epsilon)$-approximation algorithm for the $k$-center problem, with worst-case update time that is within a factor $k$ of the state-of-the-art upper bound for maintaining $(1+\epsilon)$-approximate single-source distances in graphs. Matching this bound is a natural goalpost because the approximate distances of each vertex to its center can be used to maintain a $(2+\epsilon)$-approximation of the graph diameter and the fastest known algorithms for such a diameter approximation also rely on maintaining approximate single-source distances.

The aim of this article is to propose a new reduced-order modelling approach for parametric eigenvalue problems arising in electronic structure calculations. Namely, we develop nonlinear reduced basis techniques for the approximation of parametric eigenvalue problems inspired from quantum chemistry applications. More precisely, we consider here a one-dimensional model which is a toy model for the computation of the electronic ground state wavefunction of a system of electrons within a molecule, solution to the many-body electronic Schr\"odinger equation, where the varying parameters are the positions of the nuclei in the molecule. We estimate the decay rate of the Kolmogorov n-width of the set of solutions for this parametric problem in several settings, including the standard L2-norm as well as with distances based on optimal transport. The fact that the latter decays much faster than in the traditional L2-norm setting motivates us to propose a practical nonlinear reduced basis method, which is based on an offline greedy algorithm, and an efficient stochastic energy minimization in the online phase. We finally provide numerical results illustrating the capabilities of the method and good approximation properties, both in the offline and the online phase.

An NP-complete graph decision problem, the "Multi-stage graph Simple Path" (abbr. MSP) problem, is introduced. The main contribution of this paper is a poly-time algorithm named the ZH algorithm for the problem together with the proof of its correctness, which implies NP=P. (1) A crucial structural property is discovered, whereby all MSP instances are arranged into the sequence $G_{0}$,$G_{1}$,$G_{2}$,... ($G_{k}$ essentially stands for a group of graphs for all $k\geq 0$). For each $G_{j}(j>0)$ in the sequence, there is a graph $G_{i}(0\leq i<j)$ "mathematically homomorphic" to $G_{j}$ which keeps completely accordant with $G_{j}$ on the existence of global solutions. This naturally provides a chance of applying mathematical induction for the proof of an algorithm. In previous attempts, algorithms used for making global decisions were mostly guided by heuristics and intuition. Rather, the ZH algorithm is dedicatedly designed to comply with the proposed proving framework of mathematical induction. (2) Although the ZH algorithm deals with paths, it always regards paths as a collection of edge sets. This is the key to the avoidance of exponential complexity. (3) Any poly-time algorithm that seeks global information can barely avoid the error caused by localized computation. In the ZH algorithm, the proposed reachable-path edge-set $R(e)$ and the computed information for it carry all necessary contextual information, which can be utilized to summarize the "history" and to detect the "future" for searching global solutions. (4) The relation between local strategies and global strategies is discovered and established, wherein preceding decisions can pose constraints to subsequent decisions (and vice versa). This interplay resembles the paradigm of dynamic programming, while much more convoluted. Nevertheless, the computation is always strait forward and decreases monotonically.

We study the reverse shortest path problem on disk graphs in the plane. In this problem we consider the proximity graph of a set of $n$ disks in the plane of arbitrary radii: In this graph two disks are connected if the distance between them is at most some threshold parameter $r$. The case of intersection graphs is a special case with $r=0$. We give an algorithm that, given a target length $k$, computes the smallest value of $r$ for which there is a path of length at most $k$ between some given pair of disks in the proximity graph. Our algorithm runs in $O^*(n^{5/4})$ randomized expected time, which improves to $O^*(n^{6/5})$ for unit disk graphs, where all the disks have the same radius. Our technique is robust and can be applied to many variants of the problem. One significant variant is the case of weighted proximity graphs, where edges are assigned real weights equal to the distance between the disks or between their centers, and $k$ is replaced by a target weight $w$; that is, we seek a path whose length is at most $w$. In other variants, we want to optimize a parameter different from $r$, such as a scale factor of the radii of the disks. The main technique for the decision version of the problem (determining whether the graph with a given $r$ has the desired property) is based on efficient implementations of BFS (for the unweighted case) and of Dijkstra's algorithm (for the weighted case), using efficient data structures for maintaining the bichromatic closest pair for certain bicliques and several distance functions. The optimization problem is then solved by combining the resulting decision procedure with enhanced variants of the interval shrinking and bifurcation technique of [4].

Low-density parity-check codes together with belief propagation (BP) decoding are known to be well-performing for large block lengths. However, for short block lengths there is still a considerable gap between the performance of the BP decoder and the maximum likelihood decoder. Different ensemble decoding schemes such as, e.g., the automorphism ensemble decoder (AED), can reduce this gap in short block length regime. We propose a generalized AED (GAED) that uses automorphisms according to the definition in linear algebra. Here, an automorphism of a vector space is defined as a linear, bijective self-mapping, whereas in coding theory self-mappings that are scaled permutations are commonly used. We show that the more general definition leads to an explicit joint construction of codes and automorphisms, and significantly enlarges the search space for automorphisms of existing linear codes. Furthermore, we prove the concept that generalized automorphisms can indeed be used to improve decoding. Additionally, we propose a code construction of parity check codes enabling the construction of codes with suitably designed automorphisms. Finally, we analyze the decoding performances of the GAED for some of our constructed codes.

It is known that the generating function associated with the enumeration of non-backtracking walks on finite graphs is a rational matrix-valued function of the parameter; such function is also closely related to graph-theoretical results such as Ihara's theorem and the zeta function on graphs. In [P. Grindrod, D. J. Higham, V. Noferini, The deformed graph Laplacian and its application to network centrality analysis, SIAM J. Matrix Anal. Appl. 39(1), 310--341, 2018], the radius of convergence of the generating function was studied for simple (i.e., undirected, unweighted and with no loops) graphs, and shown to depend on the number of cycles in the graph. In this paper, we use technologies from the theory of polynomial and rational matrices to greatly extend these results by studying the radius of convergence of the corresponding generating function for general, possibly directed and/or weighted, graphs. We give an analogous characterization of the radius of convergence for directed unweighted graphs, showing that it depends on the number of cycles in the undirectization of the graph. For weighted graphs, we provide for the first time an exact formula for the radius of convergence, improving a previous result that exhibited a lower bound. Finally, we consider also backtracking-downweighted walks on unweighted digraphs, and we prove a version of Ihara's theorem in that case.

Given a graph $G$, a query node $q$, and an integer $k$, community search (CS) seeks a cohesive subgraph (measured by community models such as $k$-core or $k$-truss) from $G$ that contains $q$. It is difficult for ordinary users with less knowledge of graphs' complexity to set an appropriate $k$. Even if we define quite a large $k$, the community size returned by CS is often too large for users to gain much insight about it. Compared against the entire community, key-members in the community appear more valuable than others. To contend with this, we focus on Community Key-members Search problem (CKS). We turn our perspective to the key-members in the community containing $q$ instead of the entire community. To solve CKS problem, we first propose an exact algorithm based on truss decomposition as a baseline. Then, we present four random walk-based optimized algorithms to achieve a trade-off between effectiveness and efficiency, by carefully considering three important cohesiveness features in the design of transition matrix. As a result, we return key-members according to the stationary distribution when random walk converges. We theoretically analyze the rationality of designing the cohesiveness-aware transition matrix for random walk, through Bayesian theory based on Gaussian Mixture Model with Box-Cox Transformation and Copula Function Fitting. Moreover, we propose a lightweight refinement method following an ``expand-replace" manner to further optimize the result with little overhead, and we extend our method for CKS with multiple query nodes. Comprehensive experimental studies on various real-world datasets demonstrate our method's superiority.

We consider the algorithmic problem of finding large \textit{balanced} independent sets in sparse random bipartite graphs, and more generally the problem of finding independent sets with specified proportions of vertices on each side of the bipartition. In a bipartite graph it is trivial to find an independent set of density at least half (take one of the partition classes). In contrast, in a random bipartite graph of average degree $d$, the largest balanced independent sets (containing equal number of vertices from each class) are typically of density $(2+o_d(1)) \frac{\log d}{d}$. Can we find such large balanced independent sets in these graphs efficiently? By utilizing the overlap gap property and the low-degree algorithmic framework, we prove that local and low-degree algorithms (even those that know the bipartition) cannot find balanced independent sets of density greater than $(1+\epsilon) \frac{\log d}{d}$ for any $\epsilon>0$ fixed and $d$ large but constant. This factor $2$ statistical--computational gap between what exists and what local algorithms can achieve is analogous to the gap for finding large independent sets in (non-bipartite) random graphs. Our results therefor suggest that this gap is pervasive in many models, and that hard computational problems can lurk inside otherwise tractable ones. A particularly striking aspect of the gap in bipartite graphs is that the algorithm achieving the lower bound is extremely simple and can be implemented as a $1$-local algorithm and a degree-$1$ polynomial (a linear function).

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.

The area of Data Analytics on graphs promises a paradigm shift as we approach information processing of classes of data, which are typically acquired on irregular but structured domains (social networks, various ad-hoc sensor networks). Yet, despite its long history, current approaches mostly focus on the optimization of graphs themselves, rather than on directly inferring learning strategies, such as detection, estimation, statistical and probabilistic inference, clustering and separation from signals and data acquired on graphs. To fill this void, we first revisit graph topologies from a Data Analytics point of view, and establish a taxonomy of graph networks through a linear algebraic formalism of graph topology (vertices, connections, directivity). This serves as a basis for spectral analysis of graphs, whereby the eigenvalues and eigenvectors of graph Laplacian and adjacency matrices are shown to convey physical meaning related to both graph topology and higher-order graph properties, such as cuts, walks, paths, and neighborhoods. Next, to illustrate estimation strategies performed on graph signals, spectral analysis of graphs is introduced through eigenanalysis of mathematical descriptors of graphs and in a generic way. Finally, a framework for vertex clustering and graph segmentation is established based on graph spectral representation (eigenanalysis) which illustrates the power of graphs in various data association tasks. The supporting examples demonstrate the promise of Graph Data Analytics in modeling structural and functional/semantic inferences. At the same time, Part I serves as a basis for Part II and Part III which deal with theory, methods and applications of processing Data on Graphs and Graph Topology Learning from data.