We systematically evaluate the (in-)stability of state-of-the-art node embedding algorithms due to randomness, i.e., the random variation of their outcomes given identical algorithms and graphs. We apply five node embeddings algorithms---HOPE, LINE, node2vec, SDNE, and GraphSAGE---to synthetic and empirical graphs and assess their stability under randomness with respect to (i) the geometry of embedding spaces as well as (ii) their performance in downstream tasks. We find significant instabilities in the geometry of embedding spaces independent of the centrality of a node. In the evaluation of downstream tasks, we find that the accuracy of node classification seems to be unaffected by random seeding while the actual classification of nodes can vary significantly. This suggests that instability effects need to be taken into account when working with node embeddings. Our work is relevant for researchers and engineers interested in the effectiveness, reliability, and reproducibility of node embedding approaches.

We study the problem of learning properties of nodes in tree structures. Those properties are specified by logical formulas, such as formulas from first-order or monadic second-order logic. We think of the tree as a database encoding a large dataset and therefore aim for learning algorithms which depend at most sublinearly on the size of the tree. We present a learning algorithm for quantifier-free formulas where the running time only depends polynomially on the number of training examples, but not on the size of the background structure. By a previous result on strings we know that for general first-order or monadic second-order (MSO) formulas a sublinear running time cannot be achieved. However, we show that by building an index on the tree in a linear time preprocessing phase, we can achieve a learning algorithm for MSO formulas with a logarithmic learning phase.

Constraint satisfaction problems form an important and wide class of combinatorial search and optimization problems with many applications in AI and other areas. We introduce a recurrent neural network architecture RUN-CSP (Recurrent Unsupervised Neural Network for Constraint Satisfaction Problems) to train message passing networks solving binary constraint satisfaction problems (CSPs) or their optimization versions (Max-CSP). The architecture is universal in the sense that it works for all binary CSPs: depending on the constraint language, we can automtically design a loss function, which is then used to train generic neural nets. In this paper, we experimentally evaluate our approach for the 3-colorability problem (3-Col) and its optimization version (Max-3-Col) and for the maximum 2-satisfiability problem (Max-2-Sat). We also extend the framework to work for related optimization problems such as the maximum independent set problem (Max-IS). Training is unsupervised, we train the network on arbitrary (unlabeled) instances of the problems. Moreover, we experimentally show that it suffices to train on relatively small instances; the resulting message passing network will perform well on much larger instances (at least 10-times larger).

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically---showing promising results. The following work investigates GNNs from a theoretical point of view and relates them to the $1$-dimensional Weisfeiler-Leman graph isomorphism heuristic ($1$-WL). We show that GNNs have the same expressiveness as the $1$-WL in terms of distinguishing non-isomorphic (sub-)graphs. Hence, both algorithms also have the same shortcomings. Based on this, we propose a generalization of GNNs, so-called $k$-dimensional GNNs ($k$-GNNs), which can take higher-order graph structures at multiple scales into account. These higher-order structures play an essential role in the characterization of social networks and molecule graphs. Our experimental evaluation confirms our theoretical findings as well as confirms that higher-order information is useful in the task of graph classification and regression.