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This paper deals with the $\lambda$-labeling and $L(2,1)$-coloring of simple graphs. A $\lambda$-labeling of a graph $G$ is any labeling of the vertices of $G$ with different labels such that any two adjacent vertices receive labels which differ at least two. Also an $L(2,1)$-coloring of $G$ is any labeling of the vertices of $G$ such that any two adjacent vertices receive labels which differ at least two and any two vertices with distance two receive distinct labels. Assume that a partial $\lambda$-labeling $f$ is given in a graph $G$. A general question is whether $f$ can be extended to a $\lambda$-labeling of $G$. We show that the extension is feasible if and only if a Hamiltonian path consistent with some distance constraints exists in the complement of $G$. Then we consider line graph of bipartite multigraphs and determine the minimum number of labels in $L(2,1)$-coloring and $\lambda$-labeling of these graphs. In fact we obtain easily computable formulas for the path covering number and the maximum path of the complement of these graphs. We obtain a polynomial time algorithm which generates all Hamiltonian paths in the related graphs. A special case is the Cartesian product graph $K_n\Box K_n$ and the generation of $\lambda$-squares.

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This paper is the first from a series of papers that provide a characterization of maximum packings of $T$-cuts in bipartite graphs. Given a connected graph, a set $T$ of an even number of vertices, and a minimum $T$-join, an edge weighting can be defined, from which distances between vertices can be defined. Furthermore, given a specified vertex called root, vertices can be classified according to their distances from the root, and this classification of vertices can be used to define a family of subgraphs called {\em distance components}. Seb\"o provided a theorem that revealed a relationship between distance components, minimum $T$-joins, and $T$-cuts. In this paper, we further investigate the structure of distance components in bipartite graphs. Particularly, we focus on {\em capital} distance components, that is, those that include the root. We reveal the structure of capital distance components in terms of the $T$-join analogue of the general Kotzig-Lov\'asz canonical decomposition.

In this paper, we show several parameterized problems to be complete for the class XNLP: parameterized problems that can be solved with a non-deterministic algorithm that uses $f(k)\log n$ space and $f(k)n^c$ time, with $f$ a computable function, $n$ the input size, $k$ the parameter and $c$ a constant. The problems include Maximum Regular Induced Subgraph and Max Cut parameterized by linear clique-width, Capacitated (Red-Blue) Dominating Set parameterized by pathwidth, Odd Cycle Transversal parameterized by a new parameter we call logarithmic linear clique-width (defined as $k/\log n$ for an $n$-vertex graph of linear clique-width $k$), and Bipartite Bandwidth.

Encoding facts as representations of entities and binary relationships between them, as learned by knowledge graph representation models, is useful for various tasks, including predicting new facts, question answering, fact checking and information retrieval. The focus of this thesis is on (i) improving knowledge graph representation with the aim of tackling the link prediction task; and (ii) devising a theory on how semantics can be captured in the geometry of relation representations. Most knowledge graphs are very incomplete and manually adding new information is costly, which drives the development of methods which can automatically infer missing facts. The first contribution of this thesis is HypER, a convolutional model which simplifies and improves upon the link prediction performance of the existing convolutional state-of-the-art model ConvE and can be mathematically explained in terms of constrained tensor factorisation. The second contribution is TuckER, a relatively straightforward linear model, which, at the time of its introduction, obtained state-of-the-art link prediction performance across standard datasets. The third contribution is MuRP, first multi-relational graph representation model embedded in hyperbolic space. MuRP outperforms all existing models and its Euclidean counterpart MuRE in link prediction on hierarchical knowledge graph relations whilst requiring far fewer dimensions. Despite the development of a large number of knowledge graph representation models with gradually increasing predictive performance, relatively little is known of the latent structure they learn. We generalise recent theoretical understanding of how semantic relations of similarity, paraphrase and analogy are encoded in the geometric interactions of word embeddings to how more general relations, as found in knowledge graphs, can be encoded in their representations.

A radio labelling of a graph $G$ is a mapping $f : V(G) \rightarrow \{0, 1, 2,\ldots\}$ such that $|f(u)-f(v)| \geq diam(G) + 1 - d(u,v)$ for every pair of distinct vertices $u,v$ of $G$, where $diam(G)$ is the diameter of $G$ and $d(u,v)$ is the distance between $u$ and $v$ in $G$. The radio number $rn(G)$ of $G$ is the smallest integer $k$ such that $G$ admits a radio labelling $f$ with $\max\{f(v):v \in V(G)\} = k$. The weight of a tree $T$ from a vertex $v \in V(T)$ is the sum of the distances in $T$ from $v$ to all other vertices, and a vertex of $T$ achieving the minimum weight is called a weight center of $T$. It is known that any tree has one or two weight centers. A tree is called a two-branch tree if the removal of all its weight centers results in a forest with exactly two components. In this paper we obtain a sharp lower bound for the radio number of two-branch trees which improves a known lower bound for general trees. We also give a necessary and sufficient condition for this improved lower bound to be achieved. Using these results, we determine the radio number of two families of level-wise regular two-branch trees.

An orthotube consists of orthogonal boxes (e.g., unit cubes) glued face-to-face to form a path. In 1998, Biedl et al. showed that every orthotube has a grid unfolding: a cutting along edges of the boxes so that the surface unfolds into a connected planar shape without overlap. We give a new algorithmic grid unfolding of orthotubes with the additional property that the rectangular faces are attached in a single path -- a Hamiltonian path on the rectangular faces of the orthotube surface.

The median of a graph $G$ with weighted vertices is the set of all vertices $x$ minimizing the sum of weighted distances from $x$ to the vertices of $G$. For any integer $p\ge 2$, we characterize the graphs in which, with respect to any non-negative weights, median sets always induce connected subgraphs in the $p$th power $G^p$ of $G$. This extends some characterizations of graphs with connected medians (case $p=1$) provided by Bandelt and Chepoi (2002). The characteristic conditions can be tested in polynomial time for any $p$. We also show that several important classes of graphs in metric graph theory, including bridged graphs (and thus chordal graphs), graphs with convex balls, bucolic graphs, and bipartite absolute retracts, have $G^2$-connected medians. Extending the result of Bandelt and Chepoi that basis graphs of matroids are graphs with connected medians, we characterize the isometric subgraphs of Johnson graphs and of halved-cubes with connected medians.

Multi-hop logical reasoning is an established problem in the field of representation learning on knowledge graphs (KGs). It subsumes both one-hop link prediction as well as other more complex types of logical queries. Existing algorithms operate only on classical, triple-based graphs, whereas modern KGs often employ a hyper-relational modeling paradigm. In this paradigm, typed edges may have several key-value pairs known as qualifiers that provide fine-grained context for facts. In queries, this context modifies the meaning of relations, and usually reduces the answer set. Hyper-relational queries are often observed in real-world KG applications, and existing approaches for approximate query answering cannot make use of qualifier pairs. In this work, we bridge this gap and extend the multi-hop reasoning problem to hyper-relational KGs allowing to tackle this new type of complex queries. Building upon recent advancements in Graph Neural Networks and query embedding techniques, we study how to embed and answer hyper-relational conjunctive queries. Besides that, we propose a method to answer such queries and demonstrate in our experiments that qualifiers improve query answering on a diverse set of query patterns.

The inductive biases of graph representation learning algorithms are often encoded in the background geometry of their embedding space. In this paper, we show that general directed graphs can be effectively represented by an embedding model that combines three components: a pseudo-Riemannian metric structure, a non-trivial global topology, and a unique likelihood function that explicitly incorporates a preferred direction in embedding space. We demonstrate the representational capabilities of this method by applying it to the task of link prediction on a series of synthetic and real directed graphs from natural language applications and biology. In particular, we show that low-dimensional cylindrical Minkowski and anti-de Sitter spacetimes can produce equal or better graph representations than curved Riemannian manifolds of higher dimensions.

The application of deep learning to symbolic domains remains an active research endeavour. Graph neural networks (GNN), consisting of trained neural modules which can be arranged in different topologies at run time, are sound alternatives to tackle relational problems which lend themselves to graph representations. In this paper, we show that GNNs are capable of multitask learning, which can be naturally enforced by training the model to refine a single set of multidimensional embeddings $\in \mathbb{R}^d$ and decode them into multiple outputs by connecting MLPs at the end of the pipeline. We demonstrate the multitask learning capability of the model in the relevant relational problem of estimating network centrality measures, i.e. is vertex $v_1$ more central than vertex $v_2$ given centrality $c$?. We then show that a GNN can be trained to develop a $lingua$ $franca$ of vertex embeddings from which all relevant information about any of the trained centrality measures can be decoded. The proposed model achieves $89\%$ accuracy on a test dataset of random instances with up to 128 vertices and is shown to generalise to larger problem sizes. The model is also shown to obtain reasonable accuracy on a dataset of real world instances with up to 4k vertices, vastly surpassing the sizes of the largest instances with which the model was trained ($n=128$). Finally, we believe that our contributions attest to the potential of GNNs in symbolic domains in general and in relational learning in particular.

Embedding methods which enforce a partial order or lattice structure over the concept space, such as Order Embeddings (OE) (Vendrov et al., 2016), are a natural way to model transitive relational data (e.g. entailment graphs). However, OE learns a deterministic knowledge base, limiting expressiveness of queries and the ability to use uncertainty for both prediction and learning (e.g. learning from expectations). Probabilistic extensions of OE (Lai and Hockenmaier, 2017) have provided the ability to somewhat calibrate these denotational probabilities while retaining the consistency and inductive bias of ordered models, but lack the ability to model the negative correlations found in real-world knowledge. In this work we show that a broad class of models that assign probability measures to OE can never capture negative correlation, which motivates our construction of a novel box lattice and accompanying probability measure to capture anticorrelation and even disjoint concepts, while still providing the benefits of probabilistic modeling, such as the ability to perform rich joint and conditional queries over arbitrary sets of concepts, and both learning from and predicting calibrated uncertainty. We show improvements over previous approaches in modeling the Flickr and WordNet entailment graphs, and investigate the power of the model.

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