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In order to be able to apply graph isomorphism checking within interactive theorem provers, either graph isomorphism checking algorithms must be mechanically verified, or their results must be verifiable by independent checkers. We analyze a state-of-the-art graph isomorphism checking algorithm (described by McKay and Piperno) and formulate it in a form of a formal proof system. We provide an implementation that can export a proof that an obtained graph is the canonical form of a given graph. Such proofs are then verified by our independent checker, and are used to certify that two given graphs are non-isomorphic.

We study the realizability problem for Safety LTL, the syntactic fragment of Linear Temporal Logic capturing safe formulas. We show that the problem is EXP-complete, disproving the existing conjecture of 2EXP-completeness. We achieve this by comparing the complexity of Safety LTL with seemingly weaker subfragments. In particular, we show that every formula of Safety LTL can be reduced to an equirealizable formula of the form $\alpha \land \Box \psi$, where $\alpha$ is a present formula over system variables and $\psi$ contains Next as the only temporal operator. The realizability problem for this new fragment, which we call $\mathsf{GX}_{\mathsf{0}}$, is also EXP-complete.

We formulate a framework for describing behaviour of effectful higher-order recursive programs. Examples of effects are implemented using effect operations, and include: execution cost, nondeterminism, global store and interaction with a user. The denotational semantics of a program is given by a coinductive tree in a monad, which combines potential return values of the program in terms of effect operations. Using a simple test logic, we construct two sorts of predicate liftings, which lift predicates on a result type to predicates on computations that produce results of that type, each capturing a facet of program behaviour. Firstly, we study inductive predicate liftings which can be used to describe effectful notions of total correctness. Secondly, we study coinductive predicate liftings, which describe effectful notions of partial correctness. The two constructions are dual in the sense that one can be used to disprove the other. The predicate liftings are used as a basis for an endogenous logic of behavioural properties for higher-order programs. The program logic has a derivable notion of negation, arising from the duality of the two sorts of predicate liftings, and it generates a program equivalence which subsumes a notion of bisimilarity. Appropriate definitions of inductive and coinductive predicate liftings are given for a multitude of effect examples. The whole development has been fully formalized in the Agda proof assistant.

Graph Neural Networks (GNNs) have recently been used for node and graph classification tasks with great success, but GNNs model dependencies among the attributes of nearby neighboring nodes rather than dependencies among observed node labels. In this work, we consider the task of inductive node classification using GNNs in supervised and semi-supervised settings, with the goal of incorporating label dependencies. Because current GNNs are not universal (i.e., most-expressive) graph representations, we propose a general collective learning approach to increase the representation power of any existing GNN. Our framework combines ideas from collective classification with self-supervised learning, and uses a Monte Carlo approach to sampling embeddings for inductive learning across graphs. We evaluate performance on five real-world network datasets and demonstrate consistent, significant improvement in node classification accuracy, for a variety of state-of-the-art GNNs.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

Meta-learning extracts the common knowledge acquired from learning different tasks and uses it for unseen tasks. It demonstrates a clear advantage on tasks that have insufficient training data, e.g., few-shot learning. In most meta-learning methods, tasks are implicitly related via the shared model or optimizer. In this paper, we show that a meta-learner that explicitly relates tasks on a graph describing the relations of their output dimensions (e.g., classes) can significantly improve the performance of few-shot learning. This type of graph is usually free or cheap to obtain but has rarely been explored in previous works. We study the prototype based few-shot classification, in which a prototype is generated for each class, such that the nearest neighbor search between the prototypes produces an accurate classification. We introduce "Gated Propagation Network (GPN)", which learns to propagate messages between prototypes of different classes on the graph, so that learning the prototype of each class benefits from the data of other related classes. In GPN, an attention mechanism is used for the aggregation of messages from neighboring classes, and a gate is deployed to choose between the aggregated messages and the message from the class itself. GPN is trained on a sequence of tasks from many-shot to few-shot generated by subgraph sampling. During training, it is able to reuse and update previously achieved prototypes from the memory in a life-long learning cycle. In experiments, we change the training-test discrepancy and test task generation settings for thorough evaluations. GPN outperforms recent meta-learning methods on two benchmark datasets in all studied cases.

Meta-learning has received a tremendous recent attention as a possible approach for mimicking human intelligence, i.e., acquiring new knowledge and skills with little or even no demonstration. Most of the existing meta-learning methods are proposed to tackle few-shot learning problems such as image and text, in rather Euclidean domain. However, there are very few works applying meta-learning to non-Euclidean domains, and the recently proposed graph neural networks (GNNs) models do not perform effectively on graph few-shot learning problems. Towards this, we propose a novel graph meta-learning framework -- Meta-GNN -- to tackle the few-shot node classification problem in graph meta-learning settings. It obtains the prior knowledge of classifiers by training on many similar few-shot learning tasks and then classifies the nodes from new classes with only few labeled samples. Additionally, Meta-GNN is a general model that can be straightforwardly incorporated into any existing state-of-the-art GNN. Our experiments conducted on three benchmark datasets demonstrate that our proposed approach not only improves the node classification performance by a large margin on few-shot learning problems in meta-learning paradigm, but also learns a more general and flexible model for task adaption.

Graphs, which describe pairwise relations between objects, are essential representations of many real-world data such as social networks. In recent years, graph neural networks, which extend the neural network models to graph data, have attracted increasing attention. Graph neural networks have been applied to advance many different graph related tasks such as reasoning dynamics of the physical system, graph classification, and node classification. Most of the existing graph neural network models have been designed for static graphs, while many real-world graphs are inherently dynamic. For example, social networks are naturally evolving as new users joining and new relations being created. Current graph neural network models cannot utilize the dynamic information in dynamic graphs. However, the dynamic information has been proven to enhance the performance of many graph analytical tasks such as community detection and link prediction. Hence, it is necessary to design dedicated graph neural networks for dynamic graphs. In this paper, we propose DGNN, a new {\bf D}ynamic {\bf G}raph {\bf N}eural {\bf N}etwork model, which can model the dynamic information as the graph evolving. In particular, the proposed framework can keep updating node information by capturing the sequential information of edges, the time intervals between edges and information propagation coherently. Experimental results on various dynamic graphs demonstrate the effectiveness of the proposed framework.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.