Syntax-Directed Variational Autoencoder for Structured Data

Deep generative models have been enjoying success in modeling continuous data. However it remains challenging to capture the representations for discrete structures with formal grammars and semantics, e.g., computer programs and molecular structures. How to generate both syntactically and semantically correct data still remains largely an open problem. Inspired by the theory of compiler where the syntax and semantics check is done via syntax-directed translation (SDT), we propose a novel syntax-directed variational autoencoder (SD-VAE) by introducing stochastic lazy attributes. This approach converts the offline SDT check into on-the-fly generated guidance for constraining the decoder. Comparing to the state-of-the-art methods, our approach enforces constraints on the output space so that the output will be not only syntactically valid, but also semantically reasonable. We evaluate the proposed model with applications in programming language and molecules, including reconstruction and program/molecule optimization. The results demonstrate the effectiveness in incorporating syntactic and semantic constraints in discrete generative models, which is significantly better than current state-of-the-art approaches.

Learning Combinatorial Optimization Algorithms over Graphs

The design of good heuristics or approximation algorithms for NP-hard combinatorial optimization problems often requires significant specialized knowledge and trial-and-error. Can we automate this challenging, tedious process, and learn the algorithms instead? In many real-world applications, it is typically the case that the same optimization problem is solved again and again on a regular basis, maintaining the same problem structure but differing in the data. This provides an opportunity for learning heuristic algorithms that exploit the structure of such recurring problems. In this paper, we propose a unique combination of reinforcement learning and graph embedding to address this challenge. The learned greedy policy behaves like a meta-algorithm that incrementally constructs a solution, and the action is determined by the output of a graph embedding network capturing the current state of the solution. We show that our framework can be applied to a diverse range of optimization problems over graphs, and learns effective algorithms for the Minimum Vertex Cover, Maximum Cut and Traveling Salesman problems.

Variational Reasoning for Question Answering with Knowledge Graph

Knowledge graph (KG) is known to be helpful for the task of question answering (QA), since it provides well-structured relational information between entities, and allows one to further infer indirect facts. However, it is challenging to build QA systems which can learn to reason over knowledge graphs based on question-answer pairs alone. First, when people ask questions, their expressions are noisy (for example, typos in texts, or variations in pronunciations), which is non-trivial for the QA system to match those mentioned entities to the knowledge graph. Second, many questions require multi-hop logic reasoning over the knowledge graph to retrieve the answers. To address these challenges, we propose a novel and unified deep learning architecture, and an end-to-end variational learning algorithm which can handle noise in questions, and learn multi-hop reasoning simultaneously. Our method achieves state-of-the-art performance on a recent benchmark dataset in the literature. We also derive a series of new benchmark datasets, including questions for multi-hop reasoning, questions paraphrased by neural translation model, and questions in human voice. Our method yields very promising results on all these challenging datasets.

Scan $B$-Statistic for Kernel Change-Point Detection

Detecting the emergence of an abrupt change-point is a classic problem in statistics and machine learning. Kernel-based nonparametric statistics have been used for this task which enjoy fewer assumptions on the distributions than the parametric approach and can handle high-dimensional data. In this paper we focus on the scenario when the amount of background data is large, and propose two related computationally efficient kernel-based statistics for change-point detection, which are inspired by the recently developed $B$-statistics. A novel theoretical result of the paper is the characterization of the tail probability of these statistics using the change-of-measure technique, which focuses on characterizing the tail of the detection statistics rather than obtaining its asymptotic distribution under the null distribution. Such approximations are crucial to control the false alarm rate, which corresponds to the significance level in offline change-point detection and the average-run-length in online change-point detection. Our approximations are shown to be highly accurate. Thus, they provide a convenient way to find detection thresholds for both offline and online cases without the need to resort to the more expensive simulations or bootstrapping. We show that our methods perform well on both synthetic data and real data.

Know-Evolve: Deep Temporal Reasoning for Dynamic Knowledge Graphs

The availability of large scale event data with time stamps has given rise to dynamically evolving knowledge graphs that contain temporal information for each edge. Reasoning over time in such dynamic knowledge graphs is not yet well understood. To this end, we present Know-Evolve, a novel deep evolutionary knowledge network that learns non-linearly evolving entity representations over time. The occurrence of a fact (edge) is modeled as a multivariate point process whose intensity function is modulated by the score for that fact computed based on the learned entity embeddings. We demonstrate significantly improved performance over various relational learning approaches on two large scale real-world datasets. Further, our method effectively predicts occurrence or recurrence time of a fact which is novel compared to prior reasoning approaches in multi-relational setting.

Deep Coevolutionary Network: Embedding User and Item Features for Recommendation

Recommender systems often use latent features to explain the behaviors of users and capture the properties of items. As users interact with different items over time, user and item features can influence each other, evolve and co-evolve over time. The compatibility of user and item's feature further influence the future interaction between users and items. Recently, point process based models have been proposed in the literature aiming to capture the temporally evolving nature of these latent features. However, these models often make strong parametric assumptions about the evolution process of the user and item latent features, which may not reflect the reality, and has limited power in expressing the complex and nonlinear dynamics underlying these processes. To address these limitations, we propose a novel deep coevolutionary network model (DeepCoevolve), for learning user and item features based on their interaction graph. DeepCoevolve use recurrent neural network (RNN) over evolving networks to define the intensity function in point processes, which allows the model to capture complex mutual influence between users and items, and the feature evolution over time. We also develop an efficient procedure for training the model parameters, and show that the learned models lead to significant improvements in recommendation and activity prediction compared to previous state-of-the-arts parametric models.

Discriminative Embeddings of Latent Variable Models for Structured Data

Kernel classifiers and regressors designed for structured data, such as sequences, trees and graphs, have significantly advanced a number of interdisciplinary areas such as computational biology and drug design. Typically, kernels are designed beforehand for a data type which either exploit statistics of the structures or make use of probabilistic generative models, and then a discriminative classifier is learned based on the kernels via convex optimization. However, such an elegant two-stage approach also limited kernel methods from scaling up to millions of data points, and exploiting discriminative information to learn feature representations. We propose, structure2vec, an effective and scalable approach for structured data representation based on the idea of embedding latent variable models into feature spaces, and learning such feature spaces using discriminative information. Interestingly, structure2vec extracts features by performing a sequence of function mappings in a way similar to graphical model inference procedures, such as mean field and belief propagation. In applications involving millions of data points, we showed that structure2vec runs 2 times faster, produces models which are $10,000$ times smaller, while at the same time achieving the state-of-the-art predictive performance.

Provable Bayesian Inference via Particle Mirror Descent

Bayesian methods are appealing in their flexibility in modeling complex data and ability in capturing uncertainty in parameters. However, when Bayes' rule does not result in tractable closed-form, most approximate inference algorithms lack either scalability or rigorous guarantees. To tackle this challenge, we propose a simple yet provable algorithm, \emph{Particle Mirror Descent} (PMD), to iteratively approximate the posterior density. PMD is inspired by stochastic functional mirror descent where one descends in the density space using a small batch of data points at each iteration, and by particle filtering where one uses samples to approximate a function. We prove result of the first kind that, with $m$ particles, PMD provides a posterior density estimator that converges in terms of $KL$-divergence to the true posterior in rate $O(1/\sqrt{m})$. We demonstrate competitive empirical performances of PMD compared to several approximate inference algorithms in mixture models, logistic regression, sparse Gaussian processes and latent Dirichlet allocation on large scale datasets.

Online Supervised Subspace Tracking

We present a framework for supervised subspace tracking, when there are two time series $x_t$ and $y_t$, one being the high-dimensional predictors and the other being the response variables and the subspace tracking needs to take into consideration of both sequences. It extends the classic online subspace tracking work which can be viewed as tracking of $x_t$ only. Our online sufficient dimensionality reduction (OSDR) is a meta-algorithm that can be applied to various cases including linear regression, logistic regression, multiple linear regression, multinomial logistic regression, support vector machine, the random dot product model and the multi-scale union-of-subspace model. OSDR reduces data-dimensionality on-the-fly with low-computational complexity and it can also handle missing data and dynamic data. OSDR uses an alternating minimization scheme and updates the subspace via gradient descent on the Grassmannian manifold. The subspace update can be performed efficiently utilizing the fact that the Grassmannian gradient with respect to the subspace in many settings is rank-one (or low-rank in certain cases). The optimization problem for OSDR is non-convex and hard to analyze in general; we provide convergence analysis of OSDR in a simple linear regression setting. The good performance of OSDR compared with the conventional unsupervised subspace tracking are demonstrated via numerical examples on simulated and real data.

Sequential Click Prediction for Sponsored Search with Recurrent Neural Networks

Click prediction is one of the fundamental problems in sponsored search. Most of existing studies took advantage of machine learning approaches to predict ad click for each event of ad view independently. However, as observed in the real-world sponsored search system, user's behaviors on ads yield high dependency on how the user behaved along with the past time, especially in terms of what queries she submitted, what ads she clicked or ignored, and how long she spent on the landing pages of clicked ads, etc. Inspired by these observations, we introduce a novel framework based on Recurrent Neural Networks (RNN). Compared to traditional methods, this framework directly models the dependency on user's sequential behaviors into the click prediction process through the recurrent structure in RNN. Large scale evaluations on the click-through logs from a commercial search engine demonstrate that our approach can significantly improve the click prediction accuracy, compared to sequence-independent approaches.