Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model learns from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with arbitrary depth. Although the primitive GNNs have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.

Knowledge graphs contain knowledge about the world and provide a structured representation of this knowledge. Current knowledge graphs contain only a small subset of what is true in the world. Link prediction approaches aim at predicting new links for a knowledge graph given the existing links among the entities. Tensor factorization approaches have proved promising for such link prediction problems. Proposed in 1927, Canonical Polyadic (CP) decomposition is among the first tensor factorization approaches. CP generally performs poorly for link prediction as it learns two independent embedding vectors for each entity, whereas they are really tied. We present a simple enhancement of CP (which we call SimplE) to allow the two embeddings of each entity to be learned dependently. The complexity of SimplE grows linearly with the size of embeddings. The embeddings learned through SimplE are interpretable, and certain types of background knowledge can be incorporated into these embeddings through weight tying. We prove SimplE is fully expressive and derive a bound on the size of its embeddings for full expressivity. We show empirically that, despite its simplicity, SimplE outperforms several state-of-the-art tensor factorization techniques. SimplE's code is available on GitHub at https://github.com/Mehran-k/SimplE.

We define the capacity of a learning machine to be the logarithm of the number (or volume) of the functions it can implement. We review known results, and derive new results, estimating the capacity of several neuronal models: linear and polynomial threshold gates, linear and polynomial threshold gates with constrained weights (binary weights, positive weights), and ReLU neurons. We also derive some capacity estimates and bounds for fully recurrent networks, as well as feedforward networks.

We propose a data-efficient Gaussian process-based Bayesian approach to the semi-supervised learning problem on graphs. The proposed model shows extremely competitive performance when compared to the state-of-the-art graph neural networks on semi-supervised learning benchmark experiments, and outperforms the neural networks in active learning experiments where labels are scarce. Furthermore, the model does not require a validation data set for early stopping to control over-fitting. Our model can be viewed as an instance of empirical distribution regression weighted locally by network connectivity. We further motivate the intuitive construction of the model with a Bayesian linear model interpretation where the node features are filtered by an operator related to the graph Laplacian. The method can be easily implemented by adapting off-the-shelf scalable variational inference algorithms for Gaussian processes.

We introduce a family of implicit probabilistic integrators for initial value problems (IVPs), taking as a starting point the multistep Adams-Moulton method. The implicit construction allows for dynamic feedback from the forthcoming timestep, in contrast to previous probabilistic integrators, all of which are based on explicit methods. We begin with a concise survey of the rapidly-expanding field of probabilistic ODE solvers. We then introduce our method, which builds on and adapts the work of Conrad et al. (2016) and Teymur et al. (2016), and provide a rigorous proof of its well-definedness and convergence. We discuss the problem of the calibration of such integrators and suggest one approach. We give an illustrative example highlighting the effect of the use of probabilistic integrators--including our new method--in the setting of parameter inference within an inverse problem.

Neural language models (NLMs) have recently gained a renewed interest by achieving state-of-the-art performance across many natural language processing (NLP) tasks. However, NLMs are very computationally demanding largely due to the computational cost of the decoding process, which consists of a softmax layer over a large vocabulary. We observe that in the decoding of many NLP tasks, only the probabilities of the top-K hypotheses need to be calculated preciously and K is often much smaller than the vocabulary size. This paper proposes a novel softmax layer approximation algorithm, called Fast Graph Decoder (FGD), which quickly identifies, for a given context, a set of K words that are most likely to occur according to a NLM. We demonstrate that FGD reduces the decoding time by an order of magnitude while attaining close to the full softmax baseline accuracy on neural machine translation and language modeling tasks. We also prove the theoretical guarantee on the softmax approximation quality.

Generative adversarial networks (GANs) have achieved significant success in generating real-valued data. However, the discrete nature of text hinders the application of GAN to text-generation tasks. Instead of using the standard GAN objective, we propose to improve text-generation GAN via a novel approach inspired by optimal transport. Specifically, we consider matching the latent feature distributions of real and synthetic sentences using a novel metric, termed the feature-mover's distance (FMD). This formulation leads to a highly discriminative critic and easy-to-optimize objective, overcoming the mode-collapsing and brittle-training problems in existing methods. Extensive experiments are conducted on a variety of tasks to evaluate the proposed model empirically, including unconditional text generation, style transfer from non-parallel text, and unsupervised cipher cracking. The proposed model yields superior performance, demonstrating wide applicability and effectiveness.

We describe a new software framework for fast training of generalized linear models. The framework, named Snap Machine Learning (Snap ML), combines recent advances in machine learning systems and algorithms in a nested manner to reflect the hierarchical architecture of modern computing systems. We prove theoretically that such a hierarchical system can accelerate training in distributed environments where intra-node communication is cheaper than inter-node communication. Additionally, we provide a review of the implementation of Snap ML in terms of GPU acceleration, pipelining, communication patterns and software architecture, highlighting aspects that were critical for achieving high performance. We evaluate the performance of Snap ML in both single-node and multi-node environments, quantifying the benefit of the hierarchical scheme and the data streaming functionality, and comparing with other widely-used machine learning software frameworks. Finally, we present a logistic regression benchmark on the Criteo Terabyte Click Logs dataset and show that Snap ML achieves the same test loss an order of magnitude faster than any of the previously reported results, including those obtained using TensorFlow and scikit-learn.

Retrieving indexed documents, not by their topical content but their writing style opens the door for a number of applications in information retrieval (IR). One application is to retrieve textual content of a certain author X, where the queried IR system is provided beforehand with a set of reference texts of X. Authorship verification (AV), which is a research subject in the field of digital text forensics, is suitable for this purpose. The task of AV is to determine if two documents (i.e. an indexed and a reference document) have been written by the same author X. Even though AV represents a unary classification problem, a number of existing approaches consider it as a binary classification task. However, the underlying classification model of an AV method has a number of serious implications regarding its prerequisites, evaluability, and applicability. In our comprehensive literature review, we observed several misunderstandings regarding the differentiation of unary and binary AV approaches that require consideration. The objective of this paper is, therefore, to clarify these by proposing clear criteria and new properties that aim to improve the characterization of existing and future AV approaches. Given both, we investigate the applicability of eleven existing unary and binary AV methods as well as four generic unary classification algorithms on two self-compiled corpora. Furthermore, we highlight an important issue concerning the evaluation of AV methods based on fixed decision criterions, which has not been paid attention in previous AV studies.

In multiagent domains, coping with non-stationary agents that change behaviors from time to time is a challenging problem, where an agent is usually required to be able to quickly detect the other agent's policy during online interaction, and then adapt its own policy accordingly. This paper studies efficient policy detecting and reusing techniques when playing against non-stationary agents in Markov games. We propose a new deep BPR+ algorithm by extending the recent BPR+ algorithm with a neural network as the value-function approximator. To detect policy accurately, we propose the \textit{rectified belief model} taking advantage of the \textit{opponent model} to infer the other agent's policy from reward signals and its behaviors. Instead of directly storing individual policies as BPR+, we introduce \textit{distilled policy network} that serves as the policy library in BPR+, using policy distillation to achieve efficient online policy learning and reuse. Deep BPR+ inherits all the advantages of BPR+ and empirically shows better performance in terms of detection accuracy, cumulative rewards and speed of convergence compared to existing algorithms in complex Markov games with raw visual inputs.