Interacting systems are prevalent in nature, from dynamical systems in physics to complex societ al dynamics. The interplay of components can give rise to complex behavior, which can often be explained using a simple model of the system's constituent parts. In this work, we introduce the neural relational inference (NRI) model: an unsupervised model that learns to infer interactions while simultaneously learning the dynamics purely from observational data. Our model takes the form of a variational auto-encoder, in which the latent code represents the underlying interaction graph and the reconstruction is based on graph neural networks. In experiments on simulated physical systems, we show that our NRI model can accurately recover ground-truth interactions in an unsupervised manner. We further demonstrate that we can find an interpretable structure and predict complex dynamics in real motion capture and sports tracking data.
A number of recent works @cite_15 @cite_20 @cite_29 @cite_39 @cite_33 @cite_19 parameterize messages in GNNs with a soft attention mechanism @cite_36 @cite_3 . This equips these models with the ability to focus on specific interactions with neighbors when aggregating messages. Our work is different from this line of research, as we explicitly perform inference over the latent graph structure. This allows for the incorporation of prior beliefs (such as sparsity) and for an interpretable discrete structure with multiple relation types.
@cite_33 @cite_36 @cite_29 @cite_3 @cite_39 @cite_19 @cite_15 @cite_20
2905224888 2123429492 2963105487 2158535911
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 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 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 variants of graph neural networks such as graph convolutional network (GCN), graph attention network (GAT), 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. We consider the model of population protocols introduced by (Computation in networks of passively mobile finite-state sensors, pp. 290–299. ACM, New York, 2004), in which anonymous finite-state agents stably compute a predicate of the multiset of their inputs via two-way interactions in the family of all-pairs communication networks. We prove that all predicates stably computable in this model (and certain generalizations of it) are semilinear, answering a central open question about the power of the model. Removing the assumption of two-way interaction, we also consider several variants of the model in which agents communicate by anonymous message-passing where the recipient of each message is chosen by an adversary and the sender is not identified to the recipient. These one-way models are distinguished by whether messages are delivered immediately or after a delay, whether a sender can record that it has sent a message, and whether a recipient can queue incoming messages, refusing to accept new messages until it has had a chance to send out messages of its own. We characterize the classes of predicates stably computable in each of these one-way models using natural subclasses of the semilinear predicates. Generative adversarial networks (GANs) learn a deep generative model that is able to synthesize novel, high-dimensional data samples. New data samples are synthesized by passing latent samples, drawn from a chosen prior distribution, through the generative model. Once trained, the latent space exhibits interesting properties that may be useful for downstream tasks such as classification or retrieval. Unfortunately, GANs do not offer an “inverse model,” a mapping from data space back to latent space, making it difficult to infer a latent representation for a given data sample. In this paper, we introduce a technique, inversion , to project data samples, specifically images, to the latent space using a pretrained GAN. Using our proposed inversion technique, we are able to identify which attributes of a data set a trained GAN is able to model and quantify GAN performance, based on a reconstruction loss. We demonstrate how our proposed inversion technique may be used to quantitatively compare the performance of various GAN models trained on three image data sets. We provide codes for all of our experiments in the website ( https: github.com ToniCreswell InvertingGAN ). As the availability and importance of relational data—such as the friendships summarized on a social networking website—increases, it becomes increasingly important to have good models for such data. The kinds of latent structure that have been considered for use in predicting links in such networks have been relatively limited. In particular, the machine learning community has focused on latent class models, adapting Bayesian nonparametric methods to jointly infer how many latent classes there are while learning which entities belong to each class. We pursue a similar approach with a richer kind of latent variable—latent features—using a Bayesian nonparametric approach to simultaneously infer the number of features at the same time we learn which entities have each feature. Our model combines these inferred features with known covariates in order to perform link prediction. We demonstrate that the greater expressiveness of this approach allows us to improve performance on three datasets.