Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures (like the dependency trees of sentences and the scene graphs of images) is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are neural models that capture the dependence of graphs via message passing between the nodes of graphs. In recent years, variants of GNNs such as graph convolutional network (GCN), graph attention network (GAT), graph recurrent network (GRN) have demonstrated ground-breaking performances on many deep learning tasks. In this survey, we propose a general design pipeline for GNN models and discuss the variants of each component, systematically categorize the applications, and propose four open problems for future research.

Graph Neural Networks: A Review of Methods and Applications

We present the Open Graph Benchmark (OGB), a diverse set of challenging and realistic benchmark datasets to facilitate scalable, robust, and reproducible graph machine learning (ML) research. OGB datasets are large-scale, encompass multiple important graph ML tasks, and cover a diverse range of domains, ranging from social and information networks to biological networks, molecular graphs, source code ASTs, and knowledge graphs. For each dataset, we provide a unified evaluation protocol using meaningful application-specific data splits and evaluation metrics. In addition to building the datasets, we also perform extensive benchmark experiments for each dataset. Our experiments suggest that OGB datasets present significant challenges of scalability to large-scale graphs and out-of-distribution generalization under realistic data splits, indicating fruitful opportunities for future research. Finally, OGB provides an automated end-to-end graph ML pipeline that simplifies and standardizes the process of graph data loading, experimental setup, and model evaluation. OGB will be regularly updated and welcomes inputs from the community. OGB datasets as well as data loaders, evaluation scripts, baseline code, and leaderboards are publicly available at this https URL .

Open Graph Benchmark: Datasets for Machine Learning on Graphs

In his seminal book, Shewhart (1931) makes no demand on the distribution of the characteristic to be plotted on a control chart. How then can we explain the idea that normality is, if not required, at least highly desirable? I believe that it has come about through the many statistical studies of control-chart behavior. If one is to study how a control chart behaves, it is necessary to relate it to some distribution. The obvious choice is the normal distribution because of its ubiquity as a satisfactory model. This is bolstered by the existence of the Central Limit Theorem.

Sampling: Design and Analysis

Chit-chat models are known to have several problems: they lack specificity, do not display a consistent personality and are often not very captivating. In this work we present the task of making chit-chat more engaging by conditioning on profile information. We collect data and train models to (i)condition on their given profile information; and (ii) information about the person they are talking to, resulting in improved dialogues, as measured by next utterance prediction. Since (ii) is initially unknown our model is trained to engage its partner with personal topics, and we show the resulting dialogue can be used to predict profile information about the interlocutors.

Personalizing Dialogue Agents: I have a dog, do you have pets too?

Graph neural networks (GNNs) have become the standard toolkit for analyzing and learning from data on graphs. As the field grows, it becomes critical to identify key architectures and validate new ideas that generalize to larger, more complex datasets. Unfortunately, it has been increasingly difficult to gauge the effectiveness of new models in the absence of a standardized benchmark with consistent experimental settings. In this paper, we introduce a reproducible GNN benchmarking framework, with the facility for researchers to add new models conveniently for arbitrary datasets. We demonstrate the usefulness of our framework by presenting a principled investigation into the recent Weisfeiler-Lehman GNNs (WL-GNNs) compared to message passing-based graph convolutional networks (GCNs) for a variety of graph tasks, i.e. graph regression/classification and node/link prediction, with medium-scale datasets.

Benchmarking Graph Neural Networks

This paper introduces a new learning-based approach for approximately solving the Travelling Salesman Problem on 2D Euclidean graphs. We use deep Graph Convolutional Networks to build efficient TSP graph representations and output tours in a non-autoregressive manner via highly parallelized beam search. Our approach outperforms all recently proposed autoregressive deep learning techniques in terms of solution quality, inference speed and sample efficiency for problem instances of fixed graph sizes. In particular, we reduce the average optimality gap from 0.52% to 0.01% for 50 nodes, and from 2.26% to 1.39% for 100 nodes. Finally, despite improving upon other learning-based approaches for TSP, our approach falls short of standard Operations Research solvers.

An Efficient Graph Convolutional Network Technique for the Travelling Salesman Problem

The main goal of modeling human conversation is to create agents which can interact with people in both open-ended and goal-oriented scenarios. End-to-end trained neural dialog systems are an important line of research for such generalized dialog models as they do not resort to any situation-specific handcrafting of rules. However, incorporating personalization into such systems is a largely unexplored topic as there are no existing corpora to facilitate such work. In this paper, we present a new dataset of goal-oriented dialogs which are influenced by speaker profiles attached to them. We analyze the shortcomings of an existing end-to-end dialog system based on Memory Networks and propose modifications to the architecture which enable personalization. We also investigate personalization in dialog as a multi-task learning problem, and show that a single model which shares features among various profiles outperforms separate models for each profile.

Personalization in Goal-Oriented Dialog.

End-to-end training of neural network solvers for combinatorial optimization problems such as the Travelling Salesman Problem is intractable and inefficient beyond a few hundreds of nodes. While state-of-the-art Machine Learning approaches perform closely to classical solvers when trained on trivially small sizes, they are unable to generalize the learnt policy to larger instances of practical scales. Towards leveraging transfer learning to solve large-scale TSPs, this paper identifies inductive biases, model architectures and learning algorithms that promote generalization to instances larger than those seen in training. Our controlled experiments provide the first principled investigation into such zero-shot generalization, revealing that extrapolating beyond training data requires rethinking the neural combinatorial optimization pipeline, from network layers and learning paradigms to evaluation protocols.

Chaitanya K. Joshi

Papers

Benchmarking Graph Neural Networks

Benchmarking Graph Neural Networks

An Efficient Graph Convolutional Network Technique for the Travelling Salesman Problem

Personalization in Goal-Oriented Dialog.

Learning TSP Requires Rethinking Generalization