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In this work, we propose GLUE (Graph Deviation Network with Local Uncertainty Estimation), building on the recently proposed Graph Deviation Network (GDN). GLUE not only automatically learns complex dependencies between variables and uses them to better identify anomalous behavior, but also quantifies its predictive uncertainty, allowing us to account for the variation in the data as well to have more interpretable anomaly detection thresholds. Results on two real world datasets tell us that optimizing the negative Gaussian log likelihood is reasonable because GLUE's forecasting results are at par with GDN and in fact better than the vector autoregressor baseline, which is significant given that GDN directly optimizes the MSE loss. In summary, our experiments demonstrate that GLUE is competitive with GDN at anomaly detection, with the added benefit of uncertainty estimations. We also show that GLUE learns meaningful sensor embeddings which clusters similar sensors together.

In this work, we propose a new Gaussian process regression (GPR) method: physics information aided Kriging (PhIK). In the standard data-driven Kriging, the unknown function of interest is usually treated as a Gaussian process with assumed stationary covariance with hyperparameters estimated from data. In PhIK, we compute the mean and covariance function from realizations of available stochastic models, e.g., from realizations of governing stochastic partial differential equations solutions. Such constructed Gaussian process generally is non-stationary, and does not assume a specific form of the covariance function. Our approach avoids the optimization step in data-driven GPR methods to identify the hyperparameters. More importantly, we prove that the physical constraints in the form of a deterministic linear operator are guaranteed in the resulting prediction. We also provide an error estimate in preserving the physical constraints when errors are included in the stochastic model realizations. To reduce the computational cost of obtaining stochastic model realizations, we propose a multilevel Monte Carlo estimate of the mean and covariance functions. Further, we present an active learning algorithm that guides the selection of additional observation locations. The efficiency and accuracy of PhIK are demonstrated for reconstructing a partially known modified Branin function, studying a three-dimensional heat transfer problem and learning a conservative tracer distribution from sparse concentration measurements.

We consider the problem of inferring the conditional independence graph (CIG) of a sparse, high-dimensional stationary multivariate Gaussian time series. A sparse-group lasso-based frequency-domain formulation of the problem based on frequency-domain sufficient statistic for the observed time series is presented. We investigate an alternating direction method of multipliers (ADMM) approach for optimization of the sparse-group lasso penalized log-likelihood. We provide sufficient conditions for convergence in the Frobenius norm of the inverse PSD estimators to the true value, jointly across all frequencies, where the number of frequencies are allowed to increase with sample size. This results also yields a rate of convergence. We also empirically investigate selection of the tuning parameters based on Bayesian information criterion, and illustrate our approach using numerical examples utilizing both synthetic and real data.

Large health care data repositories such as electronic health records (EHR) opens new opportunities to derive individualized treatment strategies to improve disease outcomes. We study the problem of estimating sequential treatment rules tailored to patient's individual characteristics, often referred to as dynamic treatment regimes (DTRs). We seek to find the optimal DTR which maximizes the discontinuous value function through direct maximization of a fisher consistent surrogate loss function. We show that a large class of concave surrogates fails to be Fisher consistent, which differs from the classic setting for binary classification. We further characterize a non-concave family of Fisher consistent smooth surrogate functions, which can be optimized with gradient descent using off-the-shelf machine learning algorithms. Compared to the existing direct search approach under the support vector machine framework (Zhao et al., 2015), our proposed DTR estimation via surrogate loss optimization (DTRESLO) method is more computationally scalable to large sample size and allows for a broader functional class for the predictor effects. We establish theoretical properties for our proposed DTR estimator and obtain a sharp upper bound on the regret corresponding to our DTRESLO method. Finite sample performance of our proposed estimator is evaluated through extensive simulations and an application on deriving an optimal DTR for treatment sepsis using EHR data from patients admitted to intensive care units.

We discuss the role of misspecification and censoring on Bayesian model selection in the contexts of right-censored survival and concave log-likelihood regression. Misspecification includes wrongly assuming the censoring mechanism to be non-informative. Emphasis is placed on additive accelerated failure time, Cox proportional hazards and probit models. We offer a theoretical treatment that includes local and non-local priors, and a general non-linear effect decomposition to improve power-sparsity trade-offs. We discuss a fundamental question: what solution can one hope to obtain when (inevitably) models are misspecified, and how to interpret it? Asymptotically, covariates that do not have predictive power for neither the outcome nor (for survival data) censoring times, in the sense of reducing a likelihood-associated loss, are discarded. Misspecification and censoring have an asymptotically negligible effect on false positives, but their impact on power is exponential. We show that it can be advantageous to consider simple models that are computationally practical yet attain good power to detect potentially complex effects, including the use of finite-dimensional basis to detect truly non-parametric effects. We also discuss algorithms to capitalize on sufficient statistics and fast likelihood approximations for Gaussian-based survival and binary models.

The difficulty in specifying rewards for many real-world problems has led to an increased focus on learning rewards from human feedback, such as demonstrations. However, there are often many different reward functions that explain the human feedback, leaving agents with uncertainty over what the true reward function is. While most policy optimization approaches handle this uncertainty by optimizing for expected performance, many applications demand risk-averse behavior. We derive a novel policy gradient-style robust optimization approach, PG-BROIL, that optimizes a soft-robust objective that balances expected performance and risk. To the best of our knowledge, PG-BROIL is the first policy optimization algorithm robust to a distribution of reward hypotheses which can scale to continuous MDPs. Results suggest that PG-BROIL can produce a family of behaviors ranging from risk-neutral to risk-averse and outperforms state-of-the-art imitation learning algorithms when learning from ambiguous demonstrations by hedging against uncertainty, rather than seeking to uniquely identify the demonstrator's reward function.

Influence maximization is the task of selecting a small number of seed nodes in a social network to maximize the spread of the influence from these seeds, and it has been widely investigated in the past two decades. In the canonical setting, the whole social network as well as its diffusion parameters is given as input. In this paper, we consider the more realistic sampling setting where the network is unknown and we only have a set of passively observed cascades that record the set of activated nodes at each diffusion step. We study the task of influence maximization from these cascade samples (IMS), and present constant approximation algorithms for this task under mild conditions on the seed set distribution. To achieve the optimization goal, we also provide a novel solution to the network inference problem, that is, learning diffusion parameters and the network structure from the cascade data. Comparing with prior solutions, our network inference algorithm requires weaker assumptions and does not rely on maximum-likelihood estimation and convex programming. Our IMS algorithms enhance the learning-and-then-optimization approach by allowing a constant approximation ratio even when the diffusion parameters are hard to learn, and we do not need any assumption related to the network structure or diffusion parameters.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.

Importance sampling is one of the most widely used variance reduction strategies in Monte Carlo rendering. In this paper, we propose a novel importance sampling technique that uses a neural network to learn how to sample from a desired density represented by a set of samples. Our approach considers an existing Monte Carlo rendering algorithm as a black box. During a scene-dependent training phase, we learn to generate samples with a desired density in the primary sample space of the rendering algorithm using maximum likelihood estimation. We leverage a recent neural network architecture that was designed to represent real-valued non-volume preserving ('Real NVP') transformations in high dimensional spaces. We use Real NVP to non-linearly warp primary sample space and obtain desired densities. In addition, Real NVP efficiently computes the determinant of the Jacobian of the warp, which is required to implement the change of integration variables implied by the warp. A main advantage of our approach is that it is agnostic of underlying light transport effects, and can be combined with many existing rendering techniques by treating them as a black box. We show that our approach leads to effective variance reduction in several practical scenarios.

We develop an approach to risk minimization and stochastic optimization that provides a convex surrogate for variance, allowing near-optimal and computationally efficient trading between approximation and estimation error. Our approach builds off of techniques for distributionally robust optimization and Owen's empirical likelihood, and we provide a number of finite-sample and asymptotic results characterizing the theoretical performance of the estimator. In particular, we show that our procedure comes with certificates of optimality, achieving (in some scenarios) faster rates of convergence than empirical risk minimization by virtue of automatically balancing bias and variance. We give corroborating empirical evidence showing that in practice, the estimator indeed trades between variance and absolute performance on a training sample, improving out-of-sample (test) performance over standard empirical risk minimization for a number of classification problems.