Recently there has been increasing interest in developing and deploying deep graph learning algorithms for many tasks, such as fraud detection and recommender systems. Albeit, there is a limited number of publicly available graph-structured datasets, most of which are tiny compared to production-sized applications or are limited in their application domain. This work tackles this shortcoming by proposing a scalable synthetic graph generation tool to scale the datasets to production-size graphs with trillions of edges and billions of nodes. The tool learns a series of parametric models from proprietary datasets that can be released to researchers to study various graph methods on the synthetic data increasing prototype development and novel applications. We demonstrate the generalizability of the framework across a series of datasets, mimicking structural and feature distributions as well as the ability to scale them across varying sizes demonstrating their usefulness for benchmarking and model development. Code can be found on github.

Real-world deployment of machine learning models is challenging because data evolves over time. While no model can work when data evolves in an arbitrary fashion, if there is some pattern to these changes, we might be able to design methods to address it. This paper addresses situations when data evolves gradually. We introduce a time-varying propensity score that can detect gradual shifts in the distribution of data which allows us to selectively sample past data to update the model -- not just similar data from the past like that of a standard propensity score but also data that evolved in a similar fashion in the past. The time-varying propensity score is quite general: we demonstrate different ways of implementing it and evaluate it on a variety of problems ranging from supervised learning (e.g., image classification problems) where data undergoes a sequence of gradual shifts, to reinforcement learning tasks (e.g., robotic manipulation and continuous control) where data shifts as the policy or the task changes.

We consider the problem of forming prediction sets in an online setting where the distribution generating the data is allowed to vary over time. Previous approaches to this problem suffer from over-weighting historical data and thus may fail to quickly react to the underlying dynamics. Here we correct this issue and develop a novel procedure with provably small regret over all local time intervals of a given width. We achieve this by modifying the adaptive conformal inference (ACI) algorithm of Gibbs and Cand\`{e}s (2021) to contain an additional step in which the step-size parameter of ACI's gradient descent update is tuned over time. Crucially, this means that unlike ACI, which requires knowledge of the rate of change of the data-generating mechanism, our new procedure is adaptive to both the size and type of the distribution shift. Our methods are highly flexible and can be used in combination with any baseline predictive algorithm that produces point estimates or estimated quantiles of the target without the need for distributional assumptions. We test our techniques on two real-world datasets aimed at predicting stock market volatility and COVID-19 case counts and find that they are robust and adaptive to real-world distribution shifts.

We propose a new gradient descent algorithm with added stochastic terms for finding the global optimizers of nonconvex optimization problems. A key component in the algorithm is the adaptive tuning of the randomness based on the value of the objective function. In the language of simulated annealing, the temperature is state-dependent. With this, we prove the global convergence of the algorithm with an algebraic rate both in probability and in the parameter space. This is a significant improvement over the classical rate from using a more straightforward control of the noise term. The convergence proof is based on the actual discrete setup of the algorithm, not just its continuous limit as often done in the literature. We also present several numerical examples to demonstrate the efficiency and robustness of the algorithm for reasonably complex objective functions.

This paper develops a data-based approach to the closed-loop output feedback control of nonlinear dynamical systems with a partial nonlinear observation model. We propose an information state based approach to rigorously transform the partially observed problem into a fully observed problem where the information state consists of the past several observations and control inputs. We further show the equivalence of the transformed and the initial partially observed optimal control problems and provide the conditions to solve for the deterministic optimal solution. We develop a data based generalization of the iterative Linear Quadratic Regulator (iLQR) to partially observed systems using a local linear time varying model of the information state dynamics approximated by an Autoregressive moving average (ARMA) model, that is generated using only the input-output data. This open-loop trajectory optimization solution is then used to design a local feedback control law, and the composite law then provides an optimum solution to the partially observed feedback design problem. The efficacy of the developed method is shown by controlling complex high dimensional nonlinear dynamical systems in the presence of model and sensing uncertainty.

We consider the problem of learning a graph under the Laplacian constraint with a non-convex penalty: minimax concave penalty (MCP). For solving the MCP penalized graphical model, we design an inexact proximal difference-of-convex algorithm (DCA) and prove its convergence to critical points. We note that each subproblem of the proximal DCA enjoys the nice property that the objective function in its dual problem is continuously differentiable with a semismooth gradient. Therefore, we apply an efficient semismooth Newton method to subproblems of the proximal DCA. Numerical experiments on various synthetic and real data sets demonstrate the effectiveness of the non-convex penalty MCP in promoting sparsity. Compared with the existing state-of-the-art method, our method is demonstrated to be more efficient and reliable for learning graph Laplacian with MCP.

We explore two primary classes of approaches to dimensionality reduction (DR): Independent Dimensionality Reduction (IDR) and Simultaneous Dimensionality Reduction (SDR). In IDR methods, of which Principal Components Analysis is a paradigmatic example, each modality is compressed independently, striving to retain as much variation within each modality as possible. In contrast, in SDR, one simultaneously compresses the modalities to maximize the covariation between the reduced descriptions while paying less attention to how much individual variation is preserved. Paradigmatic examples include Partial Least Squares and Canonical Correlations Analysis. Even though these DR methods are a staple of statistics, their relative accuracy and data set size requirements are poorly understood. We introduce a generative linear model to synthesize multimodal data with known variance and covariance structures to examine these questions. We assess the accuracy of the reconstruction of the covariance structures as a function of the number of samples, signal-to-noise ratio, and the number of varying and covarying signals in the data. Using numerical experiments, we demonstrate that linear SDR methods consistently outperform linear IDR methods and yield higher-quality, more succinct reduced-dimensional representations with smaller datasets. Remarkably, regularized CCA can identify low-dimensional weak covarying structures even when the number of samples is much smaller than the dimensionality of the data, which is a regime challenging for all dimensionality reduction methods. Our work corroborates and explains previous observations in the literature that SDR can be more effective in detecting covariation patterns in data. These findings suggest that SDR should be preferred to IDR in real-world data analysis when detecting covariation is more important than preserving variation.

Information geometry is a study of statistical manifolds, that is, spaces of probability distributions from a geometric perspective. Its classical information-theoretic applications relate to statistical concepts such as Fisher information, sufficient statistics, and efficient estimators. Today, information geometry has emerged as an interdisciplinary field that finds applications in diverse areas such as radar sensing, array signal processing, quantum physics, deep learning, and optimal transport. This article presents an overview of essential information geometry to initiate an information theorist, who may be unfamiliar with this exciting area of research. We explain the concepts of divergences on statistical manifolds, generalized notions of distances, orthogonality, and geodesics, thereby paving the way for concrete applications and novel theoretical investigations. We also highlight some recent information-geometric developments, which are of interest to the broader information theory community.

Set-based learning is an essential component of modern deep learning and network science. Graph Neural Networks (GNNs) and their edge-free counterparts Deepsets have proven remarkably useful on ragged and topologically challenging datasets. The key to learning informative embeddings for set members is a specified aggregation function, usually a sum, max, or mean. We propose Fishnets, an aggregation strategy for learning information-optimal embeddings for sets of data for both Bayesian inference and graph aggregation. We demonstrate that i) Fishnets neural summaries can be scaled optimally to an arbitrary number of data objects, ii) Fishnets aggregations are robust to changes in data distribution, unlike standard deepsets, iii) Fishnets saturate Bayesian information content and extend to regimes where MCMC techniques fail and iv) Fishnets can be used as a drop-in aggregation scheme within GNNs. We show that by adopting a Fishnets aggregation scheme for message passing, GNNs can achieve state-of-the-art performance versus architecture size on ogbn-protein data over existing benchmarks with a fraction of learnable parameters and faster training time.

Bayesian optimization is an effective method for optimizing expensive-to-evaluate black-box functions. High-dimensional problems are particularly challenging as the surrogate model of the objective suffers from the curse of dimensionality, which makes accurate modeling difficult. We propose a group testing approach to identify active variables to facilitate efficient optimization in these domains. The proposed algorithm, Group Testing Bayesian Optimization (GTBO), first runs a testing phase where groups of variables are systematically selected and tested on whether they influence the objective. To that end, we extend the well-established theory of group testing to functions of continuous ranges. In the second phase, GTBO guides optimization by placing more importance on the active dimensions. By exploiting the axis-aligned subspace assumption, GTBO is competitive against state-of-the-art methods on several synthetic and real-world high-dimensional optimization tasks. Furthermore, GTBO aids in the discovery of active parameters in applications, thereby enhancing practitioners' understanding of the problem at hand.