The performance of neural networks on high-dimensional data distributions suggests that it may be possible to parameterize a representation of a given high-dimensional function with controllably small errors, potentially outperforming standard interpolation methods. We demonstrate, both theoretically and numerically, that this is indeed the case. We map the parameters of a neural network to a system of particles relaxing with an interaction potential determined by the loss function. We show that in the limit that the number of parameters $n$ is large, the landscape of the mean-squared error becomes convex and the representation error in the function scales as $O(n^{-1})$. In this limit, we prove a dynamical variant of the universal approximation theorem showing that the optimal representation can be attained by stochastic gradient descent, the algorithm ubiquitously used for parameter optimization in machine learning. In the asymptotic regime, we study the fluctuations around the optimal representation and show that they arise at a scale $O(n^{-1})$. These fluctuations in the landscape identify the natural scale for the noise in stochastic gradient descent. Our results apply to both single and multi-layer neural networks, as well as standard kernel methods like radial basis functions.

Semi-supervised learning (SSL) provides a powerful framework for leveraging unlabeled data when labels are limited or expensive to obtain. SSL algorithms based on deep neural networks have recently proven successful on standard benchmark tasks. However, we argue that these benchmarks fail to address many issues that SSL algorithms would face in real-world applications. After creating a unified reimplementation of various widely-used SSL techniques, we test them in a suite of experiments designed to address these issues. We find that the performance of simple baselines which do not use unlabeled data is often underreported, SSL methods differ in sensitivity to the amount of labeled and unlabeled data, and performance can degrade substantially when the unlabeled dataset contains out-of-distribution examples. To help guide SSL research towards real-world applicability, we make our unified reimplemention and evaluation platform publicly available.

We present novel graph kernels for graphs with node and edge labels that have ordered neighborhoods, i.e. when neighbor nodes follow an order. Graphs with ordered neighborhoods are a natural data representation for evolving graphs where edges are created over time, which induces an order. Combining convolutional subgraph kernels and string kernels, we design new scalable algorithms for generation of explicit graph feature maps using sketching techniques. We obtain precise bounds for the approximation accuracy and computational complexity of the proposed approaches and demonstrate their applicability on real datasets. In particular, our experiments demonstrate that neighborhood ordering results in more informative features. For the special case of general graphs, i.e. graphs without ordered neighborhoods, the new graph kernels yield efficient and simple algorithms for the comparison of label distributions between graphs.

Based on non-local prior distributions, we propose a Bayesian model selection (BMS) procedure for boundary detection in a sequence of data with multiple systematic mean changes. The BMS method can effectively suppress the non-boundary spike points with large instantaneous changes. We speed up the algorithm by reducing the multiple change points to a series of single change point detection problems. We establish the consistency of the estimated number and locations of the change points under various prior distributions. Extensive simulation studies are conducted to compare the BMS with existing methods, and our approach is illustrated with application to the magnetic resonance imaging guided radiation therapy data.

We propose a new type of generative model for high-dimensional data that learns a manifold geometry of the data, rather than density, and can generate points evenly along this manifold. This is in contrast to existing generative models that represent data density, and are strongly affected by noise and other artifacts of data collection. We demonstrate how this approach corrects sampling biases and artifacts, thus improves several downstream data analysis tasks, such as clustering and classification. Finally, we demonstrate that this approach is especially useful in biology where, despite the advent of single-cell technologies, rare subpopulations and gene-interaction relationships are affected by biased sampling. We show that SUGAR can generate hypothetical populations, and it is able to reveal intrinsic patterns and mutual-information relationships between genes on a single-cell RNA sequencing dataset of hematopoiesis.

We draw attention to an important, yet largely overlooked aspect of evaluating fairness for automated decision making systems--namely risk and welfare considerations. Our proposed family of measures corresponds to the long-established formulations of cardinal social welfare in economics, and is justified by the Rawlsian conception of fairness behind a veil of ignorance. The convex formulation of our welfare-based measures of fairness allows us to integrate them as a constraint into any convex loss minimization pipeline. Our empirical analysis reveals interesting trade-offs between our proposal and (a) prediction accuracy, (b) group discrimination, and (c) Dwork et al.'s notion of individual fairness. Furthermore and perhaps most importantly, our work provides both heuristic justification and empirical evidence suggesting that a lower-bound on our measures often leads to bounded inequality in algorithmic outcomes; hence presenting the first computationally feasible mechanism for bounding individual-level inequality.

Many modern machine learning models are trained to achieve zero or near-zero training error in order to obtain near-optimal (but non-zero) test error. This phenomenon of strong generalization performance for ``overfitted'' / interpolated classifiers appears to be ubiquitous in high-dimensional data, having been observed in deep networks, kernel machines, boosting and random forests. Their performance is consistently robust even when the data contain large amounts of label noise. Very little theory is available to explain these observations. The vast majority of theoretical analyses of generalization allows for interpolation only when there is little or no label noise. This paper takes a step toward a theoretical foundation for interpolated classifiers by analyzing local interpolating schemes, including geometric simplicial interpolation algorithm and singularly weighted $k$-nearest neighbor schemes. Consistency or near-consistency is proved for these schemes in classification and regression problems. Moreover, the nearest neighbor schemes exhibit optimal rates under some standard statistical assumptions. Finally, this paper suggests a way to explain the phenomenon of adversarial examples, which are seemingly ubiquitous in modern machine learning, and also discusses some connections to kernel machines and random forests in the interpolated regime.

Active learning is the task of using labelled data to select additional points to label, with the goal of fitting the most accurate model with a fixed budget of labelled points. In binary classification active learning is known to produce faster rates than passive learning for a broad range of settings. However in regression restrictive structure and tailored methods were previously needed to obtain theoretically superior performance. In this paper we propose an intuitive tree based active learning algorithm for non-parametric regression with provable improvement over random sampling. When implemented with Mondrian Trees our algorithm is tuning parameter free, consistent and minimax optimal for Lipschitz functions.

We here focus on the task of learning Granger causality matrices for multivariate point processes. In order to accomplish this task, our work is the first to explore the use of Wold processes. By doing so, we are able to develop asymptotically fast MCMC learning algorithms. With $N$ being the total number of events and $K$ the number of processes, our learning algorithm has a $O(N(\,\log(N)\,+\,\log(K)))$ cost per iteration. This is much faster than the $O(N^3\,K^2)$ or $O(K^3)$ for the state of the art. Our approach, called GrangerBusca, is validated on nine datasets. This is an advance in relation to most prior efforts which focus mostly on subsets of the Memetracker data. Regarding accuracy, GrangerBusca is three times more accurate (in Precision@10) than the state of the art for the commonly explored subsets Memetracker. Due to GrangerBusca's much lower training complexity, our approach is the only one able to train models for larger, full, sets of data.

We consider an inexact variant of the popular Riemannian trust-region algorithm for structured big-data minimization problems. The proposed algorithm approximates the gradient and the Hessian in addition to the solution of a trust-region sub-problem. Addressing large-scale finite-sum problems, we specifically propose sub-sampled algorithms with a fixed bound on sub-sampled Hessian and gradient sizes, where the gradient and Hessian are computed by a random sampling technique. Numerical evaluations demonstrate that the proposed algorithms outperform state-of-the-art Riemannian deterministic and stochastic gradient algorithms across different applications.