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Evolution strategies (ESs) are zeroth-order stochastic black-box optimization heuristics invariant to monotonic transformations of the objective function. They evolve a multivariate normal distribution, from which candidate solutions are generated. Among different variants, CMA-ES is nowadays recognized as one of the state-of-the-art zeroth-order optimizers for difficult problems. Albeit ample empirical evidence that ESs with a step-size control mechanism converge linearly, theoretical guarantees of linear convergence of ESs have been established only on limited classes of functions. In particular, theoretical results on convex functions are missing, where zeroth-order and also first-order optimization methods are often analyzed. In this paper, we establish almost sure linear convergence and a bound on the expected hitting time of an \new{ES family, namely the $(1+1)_\kappa$-ES, which includes the (1+1)-ES with (generalized) one-fifth success rule} and an abstract covariance matrix adaptation with bounded condition number, on a broad class of functions. The analysis holds for monotonic transformations of positively homogeneous functions and of quadratically bounded functions, the latter of which particularly includes monotonic transformation of strongly convex functions with Lipschitz continuous gradient. As far as the authors know, this is the first work that proves linear convergence of ES on such a broad class of functions.

A triangle in a hypergraph $\mathcal{H}$ is a set of three distinct edges $e, f, g\in\mathcal{H}$ and three distinct vertices $u, v, w\in V(\mathcal{H})$ such that $\{u, v\}\subseteq e$, $\{v, w\}\subseteq f$, $\{w, u\}\subseteq g$ and $\{u, v, w\}\cap e\cap f\cap g=\emptyset$. Johansson proved in 1996 that $\chi(G)=\mathcal{O}(\Delta/\log\Delta)$ for any triangle-free graph $G$ with maximum degree $\Delta$. Cooper and Mubayi later generalized the Johansson's theorem to all rank $3$ hypergraphs. In this paper we provide a common generalization of both these results for all hypergraphs, showing that if $\mathcal{H}$ is a rank $k$, triangle-free hypergraph, then the list chromatic number \[ \chi_{\ell}(\mathcal{H})\leq \mathcal{O}\left(\max_{2\leq \ell \leq k} \left\{\left( \frac{\Delta_{\ell}}{\log \Delta_{\ell}} \right)^{\frac{1}{\ell-1}} \right\}\right), \] where $\Delta_{\ell}$ is the maximum $\ell$-degree of $\mathcal{H}$. The result is sharp apart from the constant. Moreover, our result implies, generalizes and improves several earlier results on the chromatic number and also independence number of hypergraphs, while its proof is based on a different approach than prior works in hypergraphs (and therefore provides alternative proofs to them). In particular, as an application, we establish a bound on chromatic number of sparse hypergraphs in which each vertex is contained in few triangles, and thus extend results of Alon, Krivelevich and Sudakov, and Cooper and Mubayi from hypergraphs of rank 2 and 3, respectively, to all hypergraphs.

Let $G$ be a connected graph. The eccentricity of a path $P$, denoted by ecc$_G(P)$, is the maximum distance from $P$ to any vertex in $G$. In the \textsc{Central path} (CP) problem our aim is to find a path of minimum eccentricity. This problem was introduced by Cockayne et al., in 1981, in the study of different centrality measures on graphs. They showed that CP can be solved in linear time in trees, but it is known to be NP-hard in many classes of graphs such as chordal bipartite graphs, planar 3-connected graphs, split graphs, etc. We investigate the path eccentricity of a connected graph~$G$ as a parameter. Let pe$(G)$ denote the value of ecc$_G(P)$ for a central path $P$ of $G$. We obtain tight upper bounds for pe$(G)$ in some graph classes. We show that pe$(G) \leq 1$ on biconvex graphs and that pe$(G) \leq 2$ on bipartite convex graphs. Moreover, we design algorithms that find such a path in linear time. On the other hand, by investigating the longest paths of a graph, we obtain tight upper bounds for pe$(G)$ on general graphs and $k$-connected graphs. Finally, we study the relation between a central path and a longest path in a graph. We show that on trees, and bipartite permutation graphs, a longest path is also a central path. Furthermore, for superclasses of these graphs, we exhibit counterexamples for this property.

Minimax problems have gained tremendous attentions across the optimization and machine learning community recently. In this paper, we introduce a new quasi-Newton method for minimax problems, which we call $J$-symmetric quasi-Newton method. The method is obtained by exploiting the $J$-symmetric structure of the second-order derivative of the objective function in minimax problem. We show that the Hessian estimation (as well as its inverse) can be updated by a rank-2 operation, and it turns out that the update rule is a natural generalization of the classic Powell symmetric Broyden (PSB) method from minimization problems to minimax problems. In theory, we show that our proposed quasi-Newton algorithm enjoys local Q-superlinear convergence to a desirable solution under standard regularity conditions. Furthermore, we introduce a trust-region variant of the algorithm that enjoys global R-superlinear convergence. Finally, we present numerical experiments that verify our theory and show the effectiveness of our proposed algorithms compared to Broyden's method and the extragradient method on three classes of minimax problems.

In 1954, Alston S. Householder published Principles of Numerical Analysis, one of the first modern treatments on matrix decomposition that favored a (block) LU decomposition-the factorization of a matrix into the product of lower and upper triangular matrices. And now, matrix decomposition has become a core technology in machine learning, largely due to the development of the back propagation algorithm in fitting a neural network. The sole aim of this survey is to give a self-contained introduction to concepts and mathematical tools in numerical linear algebra and matrix analysis in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of the Euclidean space, Hermitian space, Hilbert space, and things in the complex domain. We refer the reader to literature in the field of linear algebra for a more detailed introduction to the related fields.

Recent research on graph neural network (GNN) models successfully applied GNNs to classical graph algorithms and combinatorial optimisation problems. This has numerous benefits, such as allowing applications of algorithms when preconditions are not satisfied, or reusing learned models when sufficient training data is not available or can't be generated. Unfortunately, a key hindrance of these approaches is their lack of explainability, since GNNs are black-box models that cannot be interpreted directly. In this work, we address this limitation by applying existing work on concept-based explanations to GNN models. We introduce concept-bottleneck GNNs, which rely on a modification to the GNN readout mechanism. Using three case studies we demonstrate that: (i) our proposed model is capable of accurately learning concepts and extracting propositional formulas based on the learned concepts for each target class; (ii) our concept-based GNN models achieve comparative performance with state-of-the-art models; (iii) we can derive global graph concepts, without explicitly providing any supervision on graph-level concepts.

With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.

Link prediction on knowledge graphs (KGs) is a key research topic. Previous work mainly focused on binary relations, paying less attention to higher-arity relations although they are ubiquitous in real-world KGs. This paper considers link prediction upon n-ary relational facts and proposes a graph-based approach to this task. The key to our approach is to represent the n-ary structure of a fact as a small heterogeneous graph, and model this graph with edge-biased fully-connected attention. The fully-connected attention captures universal inter-vertex interactions, while with edge-aware attentive biases to particularly encode the graph structure and its heterogeneity. In this fashion, our approach fully models global and local dependencies in each n-ary fact, and hence can more effectively capture associations therein. Extensive evaluation verifies the effectiveness and superiority of our approach. It performs substantially and consistently better than current state-of-the-art across a variety of n-ary relational benchmarks. Our code is publicly available.

The distance-geometric graph representation adopts a unified scheme (distance) for representing the geometry of three-dimensional(3D) graphs. It is invariant to rotation and translation of the graph and it reflects pair-wise node interactions and their generally local nature. To facilitate the incorporation of geometry in deep learning on 3D graphs, we propose a message-passing graph convolutional network based on the distance-geometric graph representation: DG-GCN (distance-geometric graph convolution network). It utilizes continuous-filter convolutional layers, with filter-generating networks, that enable learning of filter weights from distances, thereby incorporating the geometry of 3D graphs in graph convolutions. Our results for the ESOL and FreeSolv datasets show major improvement over those of standard graph convolutions. They also show significant improvement over those of geometric graph convolutions employing edge weight / edge distance power laws. Our work demonstrates the utility and value of DG-GCN for end-to-end deep learning on 3D graphs, particularly molecular graphs.

When deploying resource-intensive signal processing applications in wireless sensor or mesh networks, distributing processing blocks over multiple nodes becomes promising. Such distributed applications need to solve the placement problem (which block to run on which node), the routing problem (which link between blocks to map on which path between nodes), and the scheduling problem (which transmission is active when). We investigate a variant where the application graph may contain feedback loops and we exploit wireless networks? inherent multicast advantage. Thus, we propose Multicast-Aware Routing for Virtual network Embedding with Loops in Overlays (MARVELO) to find efficient solutions for scheduling and routing under a detailed interference model. We cast this as a mixed integer quadratically constrained optimisation problem and provide an efficient heuristic. Simulations show that our approach handles complex scenarios quickly.