Relational Graph Attention Networks

We investigate Relational Graph Attention Networks, a class of models that extends non-relational graph attention mechanisms to incorporate relational information, opening up these methods to a wider variety of problems. A thorough evaluation of these models is performed, and comparisons are made against established benchmarks. To provide a meaningful comparison, we retrain Relational Graph Convolutional Networks, the spectral counterpart of Relational Graph Attention Networks, and evaluate them under the same conditions. We find that Relational Graph Attention Networks perform worse than anticipated, although some configurations are marginally beneficial for modelling molecular properties. We provide insights as to why this may be, and suggest both modifications to evaluation strategies, as well as directions to investigate for future work.Comment: 10 pages + 8 pages of appendices. Layer implementation available at https://github.com/Babylonpartners/rgat

Cross-Graph Learning of Multi-Relational Associations

Cross-graph Relational Learning (CGRL) refers to the problem of predicting the strengths or labels of multi-relational tuples of heterogeneous object types, through the joint inference over multiple graphs which specify the internal connections among each type of objects. CGRL is an open challenge in machine learning due to the daunting number of all possible tuples to deal with when the numbers of nodes in multiple graphs are large, and because the labeled training instances are extremely sparse as typical. Existing methods such as tensor factorization or tensor-kernel machines do not work well because of the lack of convex formulation for the optimization of CGRL models, the poor scalability of the algorithms in handling combinatorial numbers of tuples, and/or the non-transductive nature of the learning methods which limits their ability to leverage unlabeled data in training. This paper proposes a novel framework which formulates CGRL as a convex optimization problem, enables transductive learning using both labeled and unlabeled tuples, and offers a scalable algorithm that guarantees the optimal solution and enjoys a linear time complexity with respect to the sizes of input graphs. In our experiments with a subset of DBLP publication records and an Enzyme multi-source dataset, the proposed method successfully scaled to the large cross-graph inference problem, and outperformed other representative approaches significantly

Transductive Classification Methods for Mixed Graphs

In this paper we provide a principled approach to solve a transductive classification problem involving a similar graph (edges tend to connect nodes with same labels) and a dissimilar graph (edges tend to connect nodes with opposing labels). Most of the existing methods, e.g., Information Regularization (IR), Weighted vote Relational Neighbor classifier (WvRN) etc, assume that the given graph is only a similar graph. We extend the IR and WvRN methods to deal with mixed graphs. We evaluate the proposed extensions on several benchmark datasets as well as two real world datasets and demonstrate the usefulness of our ideas.Comment: 8 Pages, 2 Tables, 2 Figures, KDD Workshop - MLG'11 San Diego, CA, US

Edge-labeling Graph Neural Network for Few-shot Learning

In this paper, we propose a novel edge-labeling graph neural network (EGNN), which adapts a deep neural network on the edge-labeling graph, for few-shot learning. The previous graph neural network (GNN) approaches in few-shot learning have been based on the node-labeling framework, which implicitly models the intra-cluster similarity and the inter-cluster dissimilarity. In contrast, the proposed EGNN learns to predict the edge-labels rather than the node-labels on the graph that enables the evolution of an explicit clustering by iteratively updating the edge-labels with direct exploitation of both intra-cluster similarity and the inter-cluster dissimilarity. It is also well suited for performing on various numbers of classes without retraining, and can be easily extended to perform a transductive inference. The parameters of the EGNN are learned by episodic training with an edge-labeling loss to obtain a well-generalizable model for unseen low-data problem. On both of the supervised and semi-supervised few-shot image classification tasks with two benchmark datasets, the proposed EGNN significantly improves the performances over the existing GNNs.Comment: accepted to CVPR 201

Learning to learn via Self-Critique

In few-shot learning, a machine learning system learns from a small set of labelled examples relating to a specific task, such that it can generalize to new examples of the same task. Given the limited availability of labelled examples in such tasks, we wish to make use of all the information we can. Usually a model learns task-specific information from a small training-set (support-set) to predict on an unlabelled validation set (target-set). The target-set contains additional task-specific information which is not utilized by existing few-shot learning methods. Making use of the target-set examples via transductive learning requires approaches beyond the current methods; at inference time, the target-set contains only unlabelled input data-points, and so discriminative learning cannot be used. In this paper, we propose a framework called Self-Critique and Adapt or SCA, which learns to learn a label-free loss function, parameterized as a neural network. A base-model learns on a support-set using existing methods (e.g. stochastic gradient descent combined with the cross-entropy loss), and then is updated for the incoming target-task using the learnt loss function. This label-free loss function is itself optimized such that the learnt model achieves higher generalization performance. Experiments demonstrate that SCA offers substantially reduced error-rates compared to baselines which only adapt on the support-set, and results in state of the art benchmark performance on Mini-ImageNet and Caltech-UCSD Birds 200.Comment: Accepted in NeurIPS 201

Graph Based Classification Methods Using Inaccurate External Classifier Information

In this paper we consider the problem of collectively classifying entities where relational information is available across the entities. In practice inaccurate class distribution for each entity is often available from another (external) classifier. For example this distribution could come from a classifier built using content features or a simple dictionary. Given the relational and inaccurate external classifier information, we consider two graph based settings in which the problem of collective classification can be solved. In the first setting the class distribution is used to fix labels to a subset of nodes and the labels for the remaining nodes are obtained like in a transductive setting. In the other setting the class distributions of all nodes are used to define the fitting function part of a graph regularized objective function. We define a generalized objective function that handles both the settings. Methods like harmonic Gaussian field and local-global consistency (LGC) reported in the literature can be seen as special cases. We extend the LGC and weighted vote relational neighbor classification (WvRN) methods to support usage of external classifier information. We also propose an efficient least squares regularization (LSR) based method and relate it to information regularization methods. All the methods are evaluated on several benchmark and real world datasets. Considering together speed, robustness and accuracy, experimental results indicate that the LSR and WvRN-extension methods perform better than other methods.Comment: 12 page

Lifted Convex Quadratic Programming

Symmetry is the essential element of lifted inference that has recently demon- strated the possibility to perform very efficient inference in highly-connected, but symmetric probabilistic models models. This raises the question, whether this holds for optimisation problems in general. Here we show that for a large class of optimisation methods this is actually the case. More precisely, we introduce the concept of fractional symmetries of convex quadratic programs (QPs), which lie at the heart of many machine learning approaches, and exploit it to lift, i.e., to compress QPs. These lifted QPs can then be tackled with the usual optimization toolbox (off-the-shelf solvers, cutting plane algorithms, stochastic gradients etc.). If the original QP exhibits symmetry, then the lifted one will generally be more compact, and hence their optimization is likely to be more efficient

Information Extraction from Scientific Literature for Method Recommendation

As a research community grows, more and more papers are published each year. As a result there is increasing demand for improved methods for finding relevant papers, automatically understanding the key ideas and recommending potential methods for a target problem. Despite advances in search engines, it is still hard to identify new technologies according to a researcher's need. Due to the large variety of domains and extremely limited annotated resources, there has been relatively little work on leveraging natural language processing in scientific recommendation. In this proposal, we aim at making scientific recommendations by extracting scientific terms from a large collection of scientific papers and organizing the terms into a knowledge graph. In preliminary work, we trained a scientific term extractor using a small amount of annotated data and obtained state-of-the-art performance by leveraging large amount of unannotated papers through applying multiple semi-supervised approaches. We propose to construct a knowledge graph in a way that can make minimal use of hand annotated data, using only the extracted terms, unsupervised relational signals such as co-occurrence, and structural external resources such as Wikipedia. Latent relations between scientific terms can be learned from the graph. Recommendations will be made through graph inference for both observed and unobserved relational pairs.Comment: Thesis Proposal. arXiv admin note: text overlap with arXiv:1708.0607

Graph Attention Auto-Encoders

Auto-encoders have emerged as a successful framework for unsupervised learning. However, conventional auto-encoders are incapable of utilizing explicit relations in structured data. To take advantage of relations in graph-structured data, several graph auto-encoders have recently been proposed, but they neglect to reconstruct either the graph structure or node attributes. In this paper, we present the graph attention auto-encoder (GATE), a neural network architecture for unsupervised representation learning on graph-structured data. Our architecture is able to reconstruct graph-structured inputs, including both node attributes and the graph structure, through stacked encoder/decoder layers equipped with self-attention mechanisms. In the encoder, by considering node attributes as initial node representations, each layer generates new representations of nodes by attending over their neighbors' representations. In the decoder, we attempt to reverse the encoding process to reconstruct node attributes. Moreover, node representations are regularized to reconstruct the graph structure. Our proposed architecture does not need to know the graph structure upfront, and thus it can be applied to inductive learning. Our experiments demonstrate competitive performance on several node classification benchmark datasets for transductive and inductive tasks, even exceeding the performance of supervised learning baselines in most cases

A Simple Exponential Family Framework for Zero-Shot Learning

We present a simple generative framework for learning to predict previously unseen classes, based on estimating class-attribute-gated class-conditional distributions. We model each class-conditional distribution as an exponential family distribution and the parameters of the distribution of each seen/unseen class are defined as functions of the respective observed class attributes. These functions can be learned using only the seen class data and can be used to predict the parameters of the class-conditional distribution of each unseen class. Unlike most existing methods for zero-shot learning that represent classes as fixed embeddings in some vector space, our generative model naturally represents each class as a probability distribution. It is simple to implement and also allows leveraging additional unlabeled data from unseen classes to improve the estimates of their class-conditional distributions using transductive/semi-supervised learning. Moreover, it extends seamlessly to few-shot learning by easily updating these distributions when provided with a small number of additional labelled examples from unseen classes. Through a comprehensive set of experiments on several benchmark data sets, we demonstrate the efficacy of our framework.Comment: Accepted in ECML-PKDD 2017, 16 Pages: Code and Data are available: https://github.com/vkverma01/Zero-Shot