Representation and Synthesis of Molecular Graphs

Dec 13, 2019

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Graph-structured data is ubiquitous throughout the natural and social sciences, from telecommunication networks to quantum chemistry. Building relational inductive biases into deep learning architectures is crucial if we want systems that can learn, reason, and generalize from this kind of data. Furthermore, graphs can be seen as a natural generalization of simpler kinds of structured data (such as images), and therefore, they represent a natural avenue for the next breakthroughs in machine learning. Recent years have seen a surge in research on graph representation learning, including techniques for deep graph embeddings, generalizations of convolutional neural networks to graph-structured data, and neural message-passing approaches inspired by belief propagation. These advances in graph neural networks and related techniques have led to new state-of-the-art results in numerous domains, including chemical synthesis, 3D-vision, recommender systems, question answering, and social network analysis. The workshop will consist of contributed talks, contributed posters, and invited talks on a wide variety of methods and problems related to graph representation learning. We will welcome 4-page original research papers on work that has not previously been published in a machine learning conference or workshop. In addition to traditional research paper submissions, we will also welcome 1-page submissions describing open problems and challenges in the domain of graph representation learning. These open problems will be presented as short talks (5-10 minutes) immediately preceding a coffee break to facilitate and spark discussions. The primary goal for this workshop is to facilitate community building; with hundreds of new researchers beginning projects in this area, we hope to bring them together to consolidate this fast-growing area of graph representation learning into a healthy and vibrant subfield.

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Neural Information Processing Systems (NeurIPS) is a multi-track machine learning and computational neuroscience conference that includes invited talks, demonstrations, symposia and oral and poster presentations of refereed papers. Following the conference, there are workshops which provide a less formal setting.

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