Fundamental Tradeoffs in Distributionally Adversarial Training

Adversarial training is among the most effective techniques to improve the robustness of models against adversarial perturbations. However, the full effect of this approach on models is not well understood. For example, while adversarial training can reduce the adversarial risk (prediction error against an adversary), it sometimes increase standard risk (generalization error when there is no adversary). Even more, such behavior is impacted by various elements of the learning problem, including the size and quality of training data, specific forms of adversarial perturbations in the input, model overparameterization, and adversary's power, among others. In this paper, we focus on \emph{distribution perturbing} adversary framework wherein the adversary can change the test distribution within a neighborhood of the training data distribution. The neighborhood is defined via Wasserstein distance between distributions and the radius of the neighborhood is a measure of adversary's manipulative power. We study the tradeoff between standard risk and adversarial risk and derive the Pareto-optimal tradeoff, achievable over specific classes of models, in the infinite data limit with features dimension kept fixed. We consider three learning settings: 1) Regression with the class of linear models; 2) Binary classification under the Gaussian mixtures data model, with the class of linear classifiers; 3) Regression with the class of random features model (which can be equivalently represented as two-layer neural network with random first-layer weights). We show that a tradeoff between standard and adversarial risk is manifested in all three settings. We further characterize the Pareto-optimal tradeoff curves and discuss how a variety of factors, such as features correlation, adversary's power or the width of two-layer neural network would affect this tradeoff.

Heterogeneous Graphlets

In this paper, we introduce a generalization of graphlets to heterogeneous networks called typed graphlets. Informally, typed graphlets are small typed induced subgraphs. Typed graphlets generalize graphlets to rich heterogeneous networks as they explicitly capture the higher-order typed connectivity patterns in such networks. To address this problem, we describe a general framework for counting the occurrences of such typed graphlets. The proposed algorithms leverage a number of combinatorial relationships for different typed graphlets. For each edge, we count a few typed graphlets, and with these counts along with the combinatorial relationships, we obtain the exact counts of the other typed graphlets in o(1) constant time. Notably, the worst-case time complexity of the proposed approach matches the time complexity of the best known untyped algorithm. In addition, the approach lends itself to an efficient lock-free and asynchronous parallel implementation. While there are no existing methods for typed graphlets, there has been some work that focused on computing a different and much simpler notion called colored graphlet. The experiments confirm that our proposed approach is orders of magnitude faster and more space-efficient than methods for computing the simpler notion of colored graphlet. Unlike these methods that take hours on small networks, the proposed approach takes only seconds on large networks with millions of edges. Notably, since typed graphlet is more general than colored graphlet (and untyped graphlets), the counts of various typed graphlets can be combined to obtain the counts of the much simpler notion of colored graphlets. The proposed methods give rise to new opportunities and applications for typed graphlets.

Graph Deep Factors for Forecasting

Deep probabilistic forecasting techniques have recently been proposed for modeling large collections of time-series. However, these techniques explicitly assume either complete independence (local model) or complete dependence (global model) between time-series in the collection. This corresponds to the two extreme cases where every time-series is disconnected from every other time-series in the collection or likewise, that every time-series is related to every other time-series resulting in a completely connected graph. In this work, we propose a deep hybrid probabilistic graph-based forecasting framework called Graph Deep Factors (GraphDF) that goes beyond these two extremes by allowing nodes and their time-series to be connected to others in an arbitrary fashion. GraphDF is a hybrid forecasting framework that consists of a relational global and relational local model. In particular, we propose a relational global model that learns complex non-linear time-series patterns globally using the structure of the graph to improve both forecasting accuracy and computational efficiency. Similarly, instead of modeling every time-series independently, we learn a relational local model that not only considers its individual time-series but also the time-series of nodes that are connected in the graph. The experiments demonstrate the effectiveness of the proposed deep hybrid graph-based forecasting model compared to the state-of-the-art methods in terms of its forecasting accuracy, runtime, and scalability. Our case study reveals that GraphDF can successfully generate cloud usage forecasts and opportunistically schedule workloads to increase cloud cluster utilization by 47.5% on average.

Graph Neural Networks with Heterophily

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, most existing GNN models have an implicit assumption of homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.

A Context Integrated Relational Spatio-Temporal Model for Demand and Supply Forecasting

Traditional methods for demand forecasting only focus on modeling the temporal dependency. However, forecasting on spatio-temporal data requires modeling of complex nonlinear relational and spatial dependencies. In addition, dynamic contextual information can have a significant impact on the demand values, and therefore needs to be captured. For example, in a bike-sharing system, bike usage can be impacted by weather. Existing methods assume the contextual impact is fixed. However, we note that the contextual impact evolves over time. We propose a novel context integrated relational model, Context Integrated Graph Neural Network (CIGNN), which leverages the temporal, relational, spatial, and dynamic contextual dependencies for multi-step ahead demand forecasting. Our approach considers the demand network over various geographical locations and represents the network as a graph. We define a demand graph, where nodes represent demand time-series, and context graphs (one for each type of context), where nodes represent contextual time-series. Assuming that various contexts evolve and have a dynamic impact on the fluctuation of demand, our proposed CIGNN model employs a fusion mechanism that jointly learns from all available types of contextual information. To the best of our knowledge, this is the first approach that integrates dynamic contexts with graph neural networks for spatio-temporal demand forecasting, thereby increasing prediction accuracy. We present empirical results on two real-world datasets, demonstrating that CIGNN consistently outperforms state-of-the-art baselines, in both periodic and irregular time-series networks.

ML-based Visualization Recommendation: Learning to Recommend Visualizations from Data

Visualization recommendation seeks to generate, score, and recommend to users useful visualizations automatically, and are fundamentally important for exploring and gaining insights into a new or existing dataset quickly. In this work, we propose the first end-to-end ML-based visualization recommendation system that takes as input a large corpus of datasets and visualizations, learns a model based on this data. Then, given a new unseen dataset from an arbitrary user, the model automatically generates visualizations for that new dataset, derive scores for the visualizations, and output a list of recommended visualizations to the user ordered by effectiveness. We also describe an evaluation framework to quantitatively evaluate visualization recommendation models learned from a large corpus of visualizations and datasets. Through quantitative experiments, a user study, and qualitative analysis, we show that our end-to-end ML-based system recommends more effective and useful visualizations compared to existing state-of-the-art rule-based systems. Finally, we observed a strong preference by the human experts in our user study towards the visualizations recommended by our ML-based system as opposed to the rule-based system (5.92 from a 7-point Likert scale compared to only 3.45).

Automating Outlier Detection via Meta-Learning

Given an unsupervised outlier detection (OD) task on a new dataset, how can we automatically select a good outlier detection method and its hyperparameter(s) (collectively called a model)? Thus far, model selection for OD has been a "black art"; as any model evaluation is infeasible due to the lack of (i) hold-out data with labels, and (ii) a universal objective function. In this work, we develop the first principled data-driven approach to model selection for OD, called MetaOD, based on meta-learning. MetaOD capitalizes on the past performances of a large body of detection models on existing outlier detection benchmark datasets, and carries over this prior experience to automatically select an effective model to be employed on a new dataset. To capture task similarity, we introduce specialized meta-features that quantify outlying characteristics of a dataset. Through comprehensive experiments, we show the effectiveness of MetaOD in selecting a detection model that significantly outperforms the most popular outlier detectors (e.g., LOF and iForest) as well as various state-of-the-art unsupervised meta-learners while being extremely fast. To foster reproducibility and further research on this new problem, we open-source our entire meta-learning system, benchmark environment, and testbed datasets.

From Static to Dynamic Node Embeddings

We introduce a general framework for leveraging graph stream data for temporal prediction-based applications. Our proposed framework includes novel methods for learning an appropriate graph time-series representation, modeling and weighting the temporal dependencies, and generalizing existing embedding methods for such data. While previous work on dynamic modeling and embedding has focused on representing a stream of timestamped edges using a time-series of graphs based on a specific time-scale (e.g., 1 month), we propose the notion of an $\epsilon$-graph time-series that uses a fixed number of edges for each graph, and show its superiority over the time-scale representation used in previous work. In addition, we propose a number of new temporal models based on the notion of temporal reachability graphs and weighted temporal summary graphs. These temporal models are then used to generalize existing base (static) embedding methods by enabling them to incorporate and appropriately model temporal dependencies in the data. From the 6 temporal network models investigated (for each of the 7 base embedding methods), we find that the top-3 temporal models are always those that leverage the new $\epsilon$-graph time-series representation. Furthermore, the dynamic embedding methods from the framework almost always achieve better predictive performance than existing state-of-the-art dynamic node embedding methods that are developed specifically for such temporal prediction tasks. Finally, the findings of this work are useful for designing better dynamic embedding methods.

Structured Policy Iteration for Linear Quadratic Regulator

Linear quadratic regulator (LQR) is one of the most popular frameworks to tackle continuous Markov decision process tasks. With its fundamental theory and tractable optimal policy, LQR has been revisited and analyzed in recent years, in terms of reinforcement learning scenarios such as the model-free or model-based setting. In this paper, we introduce the \textit{Structured Policy Iteration} (S-PI) for LQR, a method capable of deriving a structured linear policy. Such a structured policy with (block) sparsity or low-rank can have significant advantages over the standard LQR policy: more interpretable, memory-efficient, and well-suited for the distributed setting. In order to derive such a policy, we first cast a regularized LQR problem when the model is known. Then, our Structured Policy Iteration (S-PI) algorithm, which takes a policy evaluation step and a policy improvement step in an iterative manner, can solve this regularized LQR efficiently. We further extend the S-PI algorithm to the model-free setting where a smoothing procedure is adopted to estimate the gradient. In both the known-model and model-free setting, we prove convergence analysis under the proper choice of parameters. Finally, the experiments demonstrate the advantages of S-PI in terms of balancing the LQR performance and level of structure by varying the weight parameter.

Temporal Network Sampling

Temporal networks representing a stream of timestamped edges are seemingly ubiquitous in the real-world. However, the massive size and continuous nature of these networks make them fundamentally challenging to analyze and leverage for descriptive and predictive modeling tasks. In this work, we propose a general framework for temporal network sampling with unbiased estimation. We develop online, single-pass sampling algorithms and unbiased estimators for temporal network sampling. The proposed algorithms enable fast, accurate, and memory-efficient statistical estimation of temporal network patterns and properties. In addition, we propose a temporally decaying sampling algorithm with unbiased estimators for studying networks that evolve in continuous time, where the strength of links is a function of time, and the motif patterns are temporally-weighted. In contrast to the prior notion of a $\bigtriangleup t$-temporal motif, the proposed formulation and algorithms for counting temporally weighted motifs are useful for forecasting tasks in networks such as predicting future links, or a future time-series variable of nodes and links. Finally, extensive experiments on a variety of temporal networks from different domains demonstrate the effectiveness of the proposed algorithms.