We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional architecture via a localized first-order approximation of spectral graph convolutions. Our model scales linearly in the number of graph edges and learns hidden layer representations that encode both local graph structure and features of nodes. In a number of experiments on citation networks and on a knowledge graph dataset we demonstrate that our approach outperforms related methods by a significant margin.

Semi-Supervised Classification with Graph Convolutional Networks

Machine Learning is the study of methods for programming computers to learn. Computers are applied to a wide range of tasks, and for most of these it is relatively easy for programmers to design and implement the necessary software. However, there are many tasks for which this is difficult or impossible. These can be divided into four general categories. First, there are problems for which there exist no human experts. For example, in modern automated manufacturing facilities, there is a need to predict machine failures before they occur by analyzing sensor readings. Because the machines are new, there are no human experts who can be interviewed by a programmer to provide the knowledge necessary to build a computer system. A machine learning system can study recorded data and subsequent machine failures and learn prediction rules. Second, there are problems where human experts exist, but where they are unable to explain their expertise. This is the case in many perceptual tasks, such as speech recognition, hand-writing recognition, and natural language understanding. Virtually all humans exhibit expert-level abilities on these tasks, but none of them can describe the detailed steps that they follow as they perform them. Fortunately, humans can provide machines with examples of the inputs and correct outputs for these tasks, so machine learning algorithms can learn to map the inputs to the outputs. Third, there are problems where phenomena are changing rapidly. In finance, for example, people would like to predict the future behavior of the stock market, of consumer purchases, or of exchange rates. These behaviors change frequently, so that even if a programmer could construct a good predictive computer program, it would need to be rewritten frequently. A learning program can relieve the programmer of this burden by constantly modifying and tuning a set of learned prediction rules. Fourth, there are applications that need to be customized for each computer user separately. Consider, for example, a program to filter unwanted electronic mail messages. Different users will need different filters. It is unreasonable to expect each user to program his or her own rules, and it is infeasible to provide every user with a software engineer to keep the rules up-to-date. A machine learning system can learn which mail messages the user rejects and maintain the filtering rules automatically. Machine learning addresses many of the same research questions as the fields of statistics, data mining, and psychology, but with differences of emphasis. Statistics focuses on understanding the phenomena that have generated the data, often with the goal of testing different hypotheses about those phenomena. Data mining seeks to find patterns in the data that are understandable by people. Psychological studies of human learning aspire to understand the mechanisms underlying the various learning behaviors exhibited by people (concept learning, skill acquisition, strategy change, etc.).

Machine learning

Data Mining Practical Machine Learning Tools and Techniques

Both convolutional and recurrent operations are building blocks that process one local neighborhood at a time. In this paper, we present non-local operations as a generic family of building blocks for capturing long-range dependencies. Inspired by the classical non-local means method [4] in computer vision, our non-local operation computes the response at a position as a weighted sum of the features at all positions. This building block can be plugged into many computer vision architectures. On the task of video classification, even without any bells and whistles, our nonlocal models can compete or outperform current competition winners on both Kinetics and Charades datasets. In static image recognition, our non-local models improve object detection/segmentation and pose estimation on the COCO suite of tasks. Code will be made available.

/pdf/non-local-neural-networks-3293fthesb.pdf

Non-local Neural Networks

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.

Inductive Representation Learning on Large Graphs

Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of graphs. In this paper, we propose a new neural network model, called graph neural network (GNN) model, that extends existing neural network methods for processing the data represented in graph domains. This GNN model, which can directly process most of the practically useful types of graphs, e.g., acyclic, cyclic, directed, and undirected, implements a function tau(G,n) isin IRm that maps a graph G and one of its nodes n into an m-dimensional Euclidean space. A supervised learning algorithm is derived to estimate the parameters of the proposed GNN model. The computational cost of the proposed algorithm is also considered. Some experimental results are shown to validate the proposed learning algorithm, and to demonstrate its generalization capabilities.

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The Graph Neural Network Model

In this paper, we will consider the approximation properties of a recently introduced neural network model called graph neural network (GNN), which can be used to process-structured data inputs, e.g., acyclic graphs, cyclic graphs, and directed or undirected graphs. This class of neural networks implements a function tau(G, n) isin R m that maps a graph G and one of its nodes n onto an m-dimensional Euclidean space. We characterize the functions that can be approximated by GNNs, in probability, up to any prescribed degree of precision. This set contains the maps that satisfy a property called preservation of the unfolding equivalence, and includes most of the practically useful functions on graphs; the only known exception is when the input graph contains particular patterns of symmetries when unfolding equivalence may not be preserved. The result can be considered an extension of the universal approximation property established for the classic feedforward neural networks (FNNs). Some experimental examples are used to show the computational capabilities of the proposed model.

/pdf/computational-capabilities-of-graph-neural-networks-1uc9eg47sv.pdf

Computational Capabilities of Graph Neural Networks

Recent developments in the area of neural networks produced models capable of dealing with structured data. Here, we propose the first fully unsupervised model, namely an extension of traditional self-organizing maps (SOMs), for the processing of labeled directed acyclic graphs (DAGs). The extension is obtained by using the unfolding procedure adopted in recurrent and recursive neural networks, with the replicated neurons in the unfolded network comprising of a full SOM. This approach enables the discovery of similarities among objects including vectors consisting of numerical data. The capabilities of the model are analyzed in detail by utilizing a relatively large data set taken from an artificial benchmark problem involving visual patterns encoded as labeled DAGs. The experimental results demonstrate clearly that the proposed model is capable of exploiting both information conveyed in the labels attached to each node of the input DAGs and information encoded in the DAG topology.

/pdf/a-self-organizing-map-for-adaptive-processing-of-structured-4upc5jtsrb.pdf

A self-organizing map for adaptive processing of structured data

An artificial neural network model, capable of processing general types of graph structured data, has recently been proposed. This paper applies the new model to the computation of customised page ranks problem in the World Wide Web. The class of customised page ranks that can be implemented in this way is very general and easy because the neural network model is learned by examples. Some preliminary experimental findings show that the model generalizes well over unseen web pages, and hence, may be suitable for the task of page rank computation on a large web graph.

http://delab.csd.auth.gr/~dimitris/courses/ir_spring06/page_rank_computing/01517930.pdf

Graph Neural Networks for Ranking Web Pages

https://opus.lib.uts.edu.au/bitstream/10453/121714/3/OCC-110938_am.pdf

Markus Hagenbuchner

Papers

The Graph Neural Network Model

Computational Capabilities of Graph Neural Networks

A self-organizing map for adaptive processing of structured data

Graph Neural Networks for Ranking Web Pages

Breast cancer data analysis for survivability studies and prediction