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We consider an inverse problem for a finite graph $(X,E)$ where we are given a subset of vertices $B\subset X$ and the distances $d_{(X,E)}(b_1,b_2)$ of all vertices $b_1,b_2\in B$. The distance of points $x_1,x_2\in X$ is defined as the minimal number of edges needed to connect two vertices, so all edges have length 1. The inverse problem is a discrete version of the boundary rigidity problem in Riemannian geometry or the inverse travel time problem in geophysics. We will show that this problem has unique solution under certain conditions and develop quantum computing methods to solve it. We prove the following uniqueness result: when $(X,E)$ is a tree and $B$ is the set of leaves of the tree, the graph $(X,E)$ can be uniquely determined in the class of all graphs having a fixed number of vertices. We present a quantum computing algorithm which produces a graph $(X,E)$, or one of those, which has a given number of vertices and the required distances between vertices in $B$. To this end we develop an algorithm that takes in a qubit representation of a graph and combine it with Grover's search algorithm. The algorithm can be implemented using only $O(|X|^2)$ qubits, the same order as the number of elements in the adjacency matrix of $(X,E)$. It also has a quadratic improvement in computational cost compared to standard classical algorithms. Finally, we consider applications in theory of computation, and show that a slight modification of the above inverse problem is NP-complete: all NP-problems can be reduced to a discrete inverse problem we consider.

In many industrial applications, obtaining labeled observations is not straightforward as it often requires the intervention of human experts or the use of expensive testing equipment. In these circumstances, active learning can be highly beneficial in suggesting the most informative data points to be used when fitting a model. Reducing the number of observations needed for model development alleviates both the computational burden required for training and the operational expenses related to labeling. Online active learning, in particular, is useful in high-volume production processes where the decision about the acquisition of the label for a data point needs to be taken within an extremely short time frame. However, despite the recent efforts to develop online active learning strategies, the behavior of these methods in the presence of outliers has not been thoroughly examined. In this work, we investigate the performance of online active linear regression in contaminated data streams. Our study shows that the currently available query strategies are prone to sample outliers, whose inclusion in the training set eventually degrades the predictive performance of the models. To address this issue, we propose a solution that bounds the search area of a conditional D-optimal algorithm and uses a robust estimator. Our approach strikes a balance between exploring unseen regions of the input space and protecting against outliers. Through numerical simulations, we show that the proposed method is effective in improving the performance of online active learning in the presence of outliers, thus expanding the potential applications of this powerful tool.

Graph clustering is a fundamental task in network analysis where the goal is to detect sets of nodes that are well-connected to each other but sparsely connected to the rest of the graph. We present faster approximation algorithms for an NP-hard parameterized clustering framework called LambdaCC, which is governed by a tunable resolution parameter and generalizes many other clustering objectives such as modularity, sparsest cut, and cluster deletion. Previous LambdaCC algorithms are either heuristics with no approximation guarantees, or computationally expensive approximation algorithms. We provide fast new approximation algorithms that can be made purely combinatorial. These rely on a new parameterized edge labeling problem we introduce that generalizes previous edge labeling problems that are based on the principle of strong triadic closure and are of independent interest in social network analysis. Our methods are orders of magnitude more scalable than previous approximation algorithms and our lower bounds allow us to obtain a posteriori approximation guarantees for previous heuristics that have no approximation guarantees of their own.

Epistemic graphs are a generalization of the epistemic approach to probabilistic argumentation. Hunter proposed a 2-way generalization framework to learn epistemic constraints from crowd-sourcing data. However, the learnt epistemic constraints only reflect users' beliefs from data, without considering the rationality encoded in epistemic graphs. Meanwhile, the current framework can only generate epistemic constraints that reflect whether an agent believes an argument, but not the degree to which it believes in it. The major challenge to achieving this effect is that the computational complexity will increase sharply when expanding the variety of constraints, which may lead to unacceptable time performance. To address these problems, we propose a filtering-based approach using a multiple-way generalization step to generate a set of rational rules which are consistent with their epistemic graphs from a dataset. This approach is able to learn a wider variety of rational rules that reflect information in both the domain model and the user model. Moreover, to improve computational efficiency, we introduce a new function to exclude meaningless rules. The empirical results show that our approach significantly outperforms the existing framework when expanding the variety of rules.

Vertex Integrity is a graph measure which sits squarely between two more well-studied notions, namely vertex cover and tree-depth, and that has recently gained attention as a structural graph parameter. In this paper we investigate the algorithmic trade-offs involved with this parameter from the point of view of algorithmic meta-theorems for First-Order (FO) and Monadic Second Order (MSO) logic. Our positive results are the following: (i) given a graph $G$ of vertex integrity $k$ and an FO formula $\phi$ with $q$ quantifiers, deciding if $G$ satisfies $\phi$ can be done in time $2^{O(k^2q+q\log q)}+n^{O(1)}$; (ii) for MSO formulas with $q$ quantifiers, the same can be done in time $2^{2^{O(k^2+kq)}}+n^{O(1)}$. Both results are obtained using kernelization arguments, which pre-process the input to sizes $2^{O(k^2)}q$ and $2^{O(k^2+kq)}$ respectively. The complexities of our meta-theorems are significantly better than the corresponding meta-theorems for tree-depth, which involve towers of exponentials. However, they are worse than the roughly $2^{O(kq)}$ and $2^{2^{O(k+q)}}$ complexities known for corresponding meta-theorems for vertex cover. To explain this deterioration we present two formula constructions which lead to fine-grained complexity lower bounds and establish that the dependence of our meta-theorems on $k$ is best possible. More precisely, we show that it is not possible to decide FO formulas with $q$ quantifiers in time $2^{o(k^2q)}$, and that there exists a constant-size MSO formula which cannot be decided in time $2^{2^{o(k^2)}}$, both under the ETH. Hence, the quadratic blow-up in the dependence on $k$ is unavoidable and vertex integrity has a complexity for FO and MSO logic which is truly intermediate between vertex cover and tree-depth.

A parametric class of trust-region algorithms for unconstrained nonconvex optimization is considered where the value of the objective function is never computed. The class contains a deterministic version of the first-order Adagrad method typically used for minimization of noisy function, but also allows the use of (possibly approximate) second-order information when available. The rate of convergence of methods in the class is analyzed and is shown to be identical to that known for first-order optimization methods using both function and gradients values, recovering existing results for purely-first order variants and improving the explicit dependence on problem dimension. This rate is shown to be essentially sharp. A new class of methods is also presented, for which a slightly worse and essentially sharp complexity result holds. Limited numerical experiments show that the new methods' performance may be comparable to that of standard steepest descent, despite using significantly less information, and that this performance is relatively insensitive to noise.

For a graph $G$, a subset $S \subseteq V(G)$ is called a \emph{resolving set} if for any two vertices $u,v \in V(G)$, there exists a vertex $w \in S$ such that $d(w,u) \neq d(w,v)$. The {\sc Metric Dimension} problem takes as input a graph $G$ and a positive integer $k$, and asks whether there exists a resolving set of size at most $k$. This problem was introduced in the 1970s and is known to be \NP-hard~[GT~61 in Garey and Johnson's book]. In the realm of parameterized complexity, Hartung and Nichterlein~[CCC~2013] proved that the problem is \W[2]-hard when parameterized by the natural parameter $k$. They also observed that it is \FPT\ when parameterized by the vertex cover number and asked about its complexity under \emph{smaller} parameters, in particular the feedback vertex set number. We answer this question by proving that {\sc Metric Dimension} is \W[1]-hard when parameterized by the combined parameter feedback vertex set number plus pathwidth. This also improves the result of Bonnet and Purohit~[IPEC 2019] which states that the problem is \W[1]-hard parameterized by the pathwidth. On the positive side, we show that {\sc Metric Dimension} is \FPT\ when parameterized by either the distance to cluster or the distance to co-cluster, both of which are smaller parameters than the vertex cover number.

Orienting the edges of an undirected graph such that the resulting digraph satisfies some given constraints is a classical problem in graph theory, with multiple algorithmic applications. In particular, an $st$-orientation orients each edge of the input graph such that the resulting digraph is acyclic, and it contains a single source $s$ and a single sink $t$. Computing an $st$-orientation of a graph can be done efficiently, and it finds notable applications in graph algorithms and in particular in graph drawing. On the other hand, finding an $st$-orientation with at most $k$ transitive edges is more challenging and it was recently proven to be NP-hard already when $k=0$. We strengthen this result by showing that the problem remains NP-hard even for graphs of bounded diameter, and for graphs of bounded vertex degree. These computational lower bounds naturally raise the question about which structural parameters can lead to tractable parameterizations of the problem. Our main result is a fixed-parameter tractable algorithm parameterized by treewidth.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

To address the sparsity and cold start problem of collaborative filtering, researchers usually make use of side information, such as social networks or item attributes, to improve recommendation performance. This paper considers the knowledge graph as the source of side information. To address the limitations of existing embedding-based and path-based methods for knowledge-graph-aware recommendation, we propose Ripple Network, an end-to-end framework that naturally incorporates the knowledge graph into recommender systems. Similar to actual ripples propagating on the surface of water, Ripple Network stimulates the propagation of user preferences over the set of knowledge entities by automatically and iteratively extending a user's potential interests along links in the knowledge graph. The multiple "ripples" activated by a user's historically clicked items are thus superposed to form the preference distribution of the user with respect to a candidate item, which could be used for predicting the final clicking probability. Through extensive experiments on real-world datasets, we demonstrate that Ripple Network achieves substantial gains in a variety of scenarios, including movie, book and news recommendation, over several state-of-the-art baselines.