While mobile social apps have become increasingly important in people's daily life, we have limited understanding on what motivates users to engage with these apps. In this paper, we answer the question whether users' in-app activity patterns help inform their future app engagement (e.g., active days in a future time window)? Previous studies on predicting user app engagement mainly focus on various macroscopic features (e.g., time-series of activity frequency), while ignoring fine-grained inter-dependencies between different in-app actions at the microscopic level. Here we propose to formalize individual user's in-app action transition patterns as a temporally evolving action graph, and analyze its characteristics in terms of informing future user engagement. Our analysis suggested that action graphs are able to characterize user behavior patterns and inform future engagement. We derive a number of high-order graph features to capture in-app usage patterns and construct interpretable models for predicting trends of engagement changes and active rates. To further enhance predictive power, we design an end-to-end, multi-channel neural model to encode temporal action graphs, activity sequences, and other macroscopic features. Experiments on predicting user engagement for 150k Snapchat new users over a 28-day period demonstrate the effectiveness of the proposed models. The prediction framework is deployed at Snapchat to deliver real world business insights. Our proposed framework is also general and can be applied to other social app platforms.

Datasets such as images, text, or movies are embedded in high-dimensional spaces. However, in important cases such as images of objects, the statistical structure in the data constrains samples to a manifold of dramatically lower dimensionality. Learning to identify and extract task-relevant variables from this embedded manifold is crucial when dealing with high-dimensional problems. We find that neural networks are often very effective at solving this task and investigate why. To this end, we apply state-of-the-art techniques for intrinsic dimensionality estimation to show that neural networks learn low-dimensional manifolds in two phases: first, dimensionality expansion driven by feature generation in initial layers, and second, dimensionality compression driven by the selection of task-relevant features in later layers. We model noise generated by Stochastic Gradient Descent and show how this noise balances the dimensionality of neural representations by inducing an effective regularization term in the loss. We highlight the important relationship between low-dimensional compressed representations and generalization properties of the network. Our work contributes by shedding light on the success of deep neural networks in disentangling data in high-dimensional space while achieving good generalization. Furthermore, it invites new learning strategies focused on optimizing measurable geometric properties of learned representations, beginning with their intrinsic dimensionality.

Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we require generative models that guide our search towards systems with desired properties. While graph-based models have previously been proposed, they are restricted by a lack of spatial information such that they are unable to recognize spatial isomerism and non-bonded interactions. Here, we introduce a generative neural network for 3d point sets that respects the rotational invariance of the targeted structures. We apply it to the generation of molecules and demonstrate its ability to approximate the distribution of equilibrium structures using spatial metrics as well as established measures from chemoinformatics. As our model is able to capture the complex relationship between 3d geometry and electronic properties, we bias the distribution of the generator towards molecules with a small HOMO-LUMO gap - an important property for the design of organic solar cells.

Neural network robustness has recently been highlighted by the existence of adversarial examples. Many previous works show that the learned networks do not perform well on perturbed test data, and significantly more labeled data is required to achieve adversarially robust generalization. In this paper, we theoretically and empirically show that with just more unlabeled data, we can learn a model with better adversarially robust generalization. The key insight of our results is based on a risk decomposition theorem, in which the expected robust risk is separated into two parts: the stability part which measures the prediction stability in the presence of perturbations, and the accuracy part which evaluates the standard classification accuracy. As the stability part does not depend on any label information, we can optimize this part using unlabeled data. We further prove that for a specific Gaussian mixture problem illustrated by [35], adversarially robust generalization can be almost as easy as the standard generalization in supervised learning if a sufficiently large amount of unlabeled data is provided. Inspired by the theoretical findings, we propose a new algorithm called PASS by leveraging unlabeled data during adversarial training. We show that in the transductive and semi-supervised settings, PASS achieves higher robust accuracy and defense success rate on the Cifar-10 task.

Most of the successful deep neural network architectures are structured, often consisting of elements like convolutional neural networks and gated recurrent neural networks. Recently, graph neural networks have been successfully applied to graph structured data such as point cloud and molecular data. These networks often only consider pairwise dependencies, as they operate on a graph structure. We generalize the graph neural network into a factor graph neural network (FGNN) in order to capture higher order dependencies. We show that FGNN is able to represent Max-Product Belief Propagation, an approximate inference algorithm on probabilistic graphical models; hence it is able to do well when Max-Product does well. Promising results on both synthetic and real datasets demonstrate the effectiveness of the proposed model.

In this paper, we propose a general framework for using adversarial label learning (ALL) [1] for multiclass classification when the data is weakly supervised. We introduce a new variant of ALL that incorporates human knowledge through multiple constraint types. Like adversarial label learning, we learn by adversarially finding labels constrained to be partially consistent with the weak supervision. However, we describe a different approach to solve the optimization that enjoys faster convergence when training large deep models. Our framework allows for human knowledge to be encoded into the algorithm as a set of linear constraints. We then solve a two-player game optimization subject to these constraints. We test our method on three data sets by training convolutional neural network models that learn to classify image objects with limited access to training labels. Our approach is able to learn even in settings where the weak supervision confounds state-of-the-art weakly supervised learning methods. The results of our experiments demonstrate the applicability of this approach to general classification tasks.

We explore the use of Vector Quantized Variational AutoEncoder (VQ-VAE) models for large scale image generation. To this end, we scale and enhance the autoregressive priors used in VQ-VAE to generate synthetic samples of much higher coherence and fidelity than possible before. We use simple feed-forward encoder and decoder networks, making our model an attractive candidate for applications where the encoding and/or decoding speed is critical. Additionally, VQ-VAE requires sampling an autoregressive model only in the compressed latent space, which is an order of magnitude faster than sampling in the pixel space, especially for large images. We demonstrate that a multi-scale hierarchical organization of VQ-VAE, augmented with powerful priors over the latent codes, is able to generate samples with quality that rivals that of state of the art Generative Adversarial Networks on multifaceted datasets such as ImageNet, while not suffering from GAN's known shortcomings such as mode collapse and lack of diversity.

Uncertainty quantification has been a core of the statistical machine learning, but its computational bottleneck has been a serious challenge for both Bayesians and frequentists. We propose a model-based framework in quantifying uncertainty, called predictive-matching Generative Parameter Sampler (GPS). This procedure considers an Uncertainty Quantification (UQ) distribution, on the targeted parameter, which matches the corresponding predictive distribution to the observed data. This framework adopts a hierarchical modeling perspective such that each observation is modeled by an individual parameter. This individual parameterization permits the resulting inference to be computationally scalable and robust to outliers. Our approach is illustrated for linear models, Poisson processes, and deep neural networks for classification. The results show that the GPS is successful in providing uncertainty quantification as well as additional flexibility beyond what is allowed by classical statistical procedures under the postulated statistical models.

Medication recommendation is an important healthcare application. It is commonly formulated as a temporal prediction task. Hence, most existing works only utilize longitudinal electronic health records (EHRs) from a small number of patients with multiple visits ignoring a large number of patients with a single visit (selection bias). Moreover, important hierarchical knowledge such as diagnosis hierarchy is not leveraged in the representation learning process. To address these challenges, we propose G-BERT, a new model to combine the power of Graph Neural Networks (GNNs) and BERT (Bidirectional Encoder Representations from Transformers) for medical code representation and medication recommendation. We use GNNs to represent the internal hierarchical structures of medical codes. Then we integrate the GNN representation into a transformer-based visit encoder and pre-train it on EHR data from patients only with a single visit. The pre-trained visit encoder and representation are then fine-tuned for downstream predictive tasks on longitudinal EHRs from patients with multiple visits. G-BERT is the first to bring the language model pre-training schema into the healthcare domain and it achieved state-of-the-art performance on the medication recommendation task.

The two-day RE•WORK Deep Learning Summit Boston 2019 gathered more than 60 speakers from top AI labs such as MIT CSAIL, Uber AI Labs, Adobe Research and other experts from the AI healthcare industry who provided high-level deep learning technical discussions and industry application insights. There were two separate tracks this year: Deep Learning and Healthcare Machines are using deep neural networks to solve previously challenging problems such as Go and Atari games. Speaking in the Deep Learning track, Uber AI Labs Co-Founder and Research Scientist Jason Yosinki said that although researchers can train more complex networks than ever on today's large-scale datasets, the gap between what they can build and what they can understand is widening. Yosinki believes this understanding gap hinders progress toward overall AI system competency and bodes poorly for a future world increasingly reliant on algorithms with decreasing interpretability. Yosinki surveyed research aimed at closing this gap, including interactive model exploration, optimization, and visualization.