We propose a Bayesian approach to spectral graph convolutional networks (GCNs) where the graph parameters are considered as random variables. We develop an inference algorithm to estimate the posterior over these parameters and use it to incorporate prior information that is not naturally considered by standard GCN. The key to our approach is to define a smooth posterior parameterization over the adjacency matrix characterizing the graph, which we estimate via stochastic variational inference. Our experiments show that we can outperform standard GCN methods in the task of semi-supervised classification in noisy-graph regimes.

Conditional Mutual Information (CMI) is a measure of conditional dependence between random variables X and Y, given another random variable Z. It can be used to quantify conditional dependence among variables in many data-driven inference problems such as graphical models, causal learning, feature selection and time-series analysis. While k-nearest neighbor (kNN) based estimators as well as kernel-based methods have been widely used for CMI estimation, they suffer severely from the curse of dimensionality. In this paper, we leverage advances in classifiers and generative models to design methods for CMI estimation. Specifically, we introduce an estimator for KL-Divergence based on the likelihood ratio by training a classifier to distinguish the observed joint distribution from the product distribution. We then show how to construct several CMI estimators using this basic divergence estimator by drawing ideas from conditional generative models. We demonstrate that the estimates from our proposed approaches do not degrade in performance with increasing dimension and obtain significant improvement over the widely used KSG estimator. Finally, as an application of accurate CMI estimation, we use our best estimator for conditional independence testing and achieve superior performance than the state-of-the-art tester on both simulated and real data-sets.

Communication bottleneck has been identified as a significant issue in distributed optimization of large-scale learning models. Recently, several approaches to mitigate this problem have been proposed, including different forms of gradient compression or computing local models and mixing them iteratively. In this paper we propose \emph{Qsparse-local-SGD} algorithm, which combines aggressive sparsification with quantization and local computation along with error compensation, by keeping track of the difference between the true and compressed gradients. We propose both synchronous and asynchronous implementations of \emph{Qsparse-local-SGD}. We analyze convergence for \emph{Qsparse-local-SGD} in the \emph{distributed} setting for smooth non-convex and convex objective functions. We demonstrate that \emph{Qsparse-local-SGD} converges at the same rate as vanilla distributed SGD for many important classes of sparsifiers and quantizers. We use \emph{Qsparse-local-SGD} to train ResNet-50 on ImageNet, and show that it results in significant savings over the state-of-the-art, in the number of bits transmitted to reach target accuracy.

Recently, a parametrized class of loss functions called $\alpha$-loss, $\alpha \in [1,\infty]$, has been introduced for classification. This family, which includes the log-loss and the 0-1 loss as special cases, comes with compelling properties including an equivalent margin-based form which is classification-calibrated for all $\alpha$. We introduce a generalization of this family to the entire range of $\alpha \in (0,\infty]$ and establish how the parameter $\alpha$ enables the practitioner to choose among a host of operating conditions that are important in modern machine learning tasks. We prove that smaller $\alpha$ values are more conducive to faster optimization; in fact, $\alpha$-loss is convex for $\alpha \le 1$ and quasi-convex for $\alpha >1$. Moreover, we establish bounds to quantify the degradation of the local-quasi-convexity of the optimization landscape as $\alpha$ increases; we show that this directly translates to a computational slow down. On the other hand, our theoretical results also suggest that larger $\alpha$ values lead to better generalization performance. This is a consequence of the ability of the $\alpha$-loss to limit the effect of less likely data as $\alpha$ increases from 1, thereby facilitating robustness to outliers and noise in the training data. We provide strong evidence supporting this assertion with several experiments on benchmark datasets that establish the efficacy of $\alpha$-loss for $\alpha > 1$ in robustness to errors in the training data. Of equal interest is the fact that, for $\alpha < 1$, our experiments show that the decreased robustness seems to counteract class imbalances in training data.

In conventional prediction tasks, a machine learning algorithm outputs a single best model that globally optimizes its objective function, which typically is accuracy. Therefore, users cannot access the other models explicitly. In contrast to this, multiple model enumeration attracts increasing interests in non-standard machine learning applications where other criteria, e.g., interpretability or fairness, than accuracy are main concern and a user may want to access more than one non-optimal, but suitable models. In this paper, we propose a K-best model enumeration algorithm for Support Vector Machines (SVM) that given a dataset S and an integer K>0, enumerates the K-best models on S with distinct support vectors in the descending order of the objective function values in the dual SVM problem. Based on analysis of the lattice structure of support vectors, our algorithm efficiently finds the next best model with small latency. This is useful in supporting users's interactive examination of their requirements on enumerated models. By experiments on real datasets, we evaluated the efficiency and usefulness of our algorithm.

We posit that hippocampal place cells encode information about future locations under a transition distribution observed as an agent explores a given (physical or conceptual) space. The encoding of information about the current location, usually associated with place cells, then emerges as a necessary step to achieve this broader goal. We formally derive a biologically-inspired neural network from Nystr\"om kernel approximations and empirically demonstrate that the network successfully approximates transition distributions. The proposed network yields representations that, just like place cells, soft-tile the input space with highly sparse and localized receptive fields. Additionally, we show that the proposed computational motif can be extended to handle supervised problems, creating class-specific place cells while exhibiting low sample complexity.

Simplifying machine learning (ML) application development, including distributed computation, programming interface, resource management, model selection, etc, has attracted intensive interests recently. These research efforts have significantly improved the efficiency and the degree of automation of developing ML models. In this paper, we take a first step in an orthogonal direction towards automated quality management for human-in-the-loop ML application development. We build ease. ml/meter, a system that can automatically detect and measure the degree of overfitting during the whole lifecycle of ML application development. ease. ml/meter returns overfitting signals with strong probabilistic guarantees, based on which developers can take appropriate actions. In particular, ease. ml/meter provides principled guidelines to simple yet nontrivial questions regarding desired validation and test data sizes, which are among commonest questions raised by developers. The fact that ML application development is typically a continuous procedure further worsens the situation: The validation and test data sets can lose their statistical power quickly due to multiple accesses, especially in the presence of adaptive analysis. ease. ml/meter addresses these challenges by leveraging a collection of novel techniques and optimizations, resulting in practically tractable data sizes without compromising the probabilistic guarantees. We present the design and implementation details of ease. ml/meter, as well as detailed theoretical analysis and empirical evaluation of its effectiveness.

Despite remarkable empirical success, the training dynamics of generative adversarial networks (GAN), which involves solving a minimax game using stochastic gradients, is still poorly understood. In this work, we analyze last-iterate convergence of simultaneous gradient descent (simGD) and its variants under the assumption of convex-concavity, guided by a continuous-time analysis with differential equations. First, we show that simGD, as is, converges with stochastic sub-gradients under strict convexity in the primal variable. Second, we generalize optimistic simGD to accommodate an optimism rate separate from the learning rate and show its convergence with full gradients. Finally, we present anchored simGD, a new method, and show convergence with stochastic subgradients.

We show that under mild conditions, Estimation of Distribution Algorithms (EDAs) can be written as variational Expectation-Maximization (EM) that uses a mixture of weighted particles as the approximate posterior. In the infinite particle limit, EDAs can be viewed as exact EM. Because EM sits on a rigorous statistical foundation and has been thoroughly analyzed, this connection provides a coherent framework with which to reason about EDAs. Importantly, the connection also suggests avenues for possible improvements to EDAs owing to our ability to leverage general statistical tools and generalizations of EM. For example, we make use of results about known EM convergence properties to propose an adaptive, hybrid EDA-gradient descent algorithm; this hybrid demonstrates better performance than either component of the hybrid on several canonical, non-convex test functions. We also demonstrate empirically that although one might hypothesize that reducing the variational gap could prove useful, it actually degrades performance of EDAs. Finally, we show that the connection between EM and EDAs provides us with a new perspective on why EDAs are performing approximate natural gradient descent.

Linear regression is a common technique used in the association study between the targeted outcome and some potential risk factors (e.g., age, sex). The violation of the normality assumption sometimes may be attributed by the skewed nature of the dependent variable and may be a concern for naturally skewed outcome variables, such as best corrected visual acuity, 1 refractive error, 2 and Rasch score. Normality violation will affect the estimates of the standard error (SE) and the confidence interval, and hence the significance of the risk factors. Nonparametric regression model or bootstrap techniques are suggested to be performed as they provide more robust estimates of SE. However, nonparametric techniques require large sample sizes to supply; the model structure, and are very sensitive to the outliers. Thus, a key question is whether simple linear regression modeling still is valid if the "normality assumption" is violated.