Current methods for training recurrent neural networks are based on backpropagation through time, which requires storing a complete history of network states, and prohibits updating the weights `online' (after every timestep). Real Time Recurrent Learning (RTRL) eliminates the need for history storage and allows for online weight updates, but does so at the expense of computational costs that are quartic in the state size. This renders RTRL training intractable for all but the smallest networks, even ones that are made highly sparse. We introduce the Sparse n-step Approximation (SnAp) to the RTRL influence matrix, which only keeps entries that are nonzero within n steps of the recurrent core. SnAp with n=1 is no more expensive than backpropagation, and we find that it substantially outperforms other RTRL approximations with comparable costs such as Unbiased Online Recurrent Optimization. For highly sparse networks, SnAp with n=2 remains tractable and can outperform backpropagation through time in terms of learning speed when updates are done online. SnAp becomes equivalent to RTRL when n is large.

The multinomial and related distributions have long been used to model categorical, count-based data in fields ranging from bioinformatics to natural language processing. Commonly utilized variants include the standard multinomial and the Dirichlet multinomial distributions due to their computational efficiency and straightforward parameter estimation process. However, these distributions make strict assumptions about the mean, variance, and covariance between the categorical features being modeled. If these assumptions are not met by the data, it may result in poor parameter estimates and loss in accuracy for downstream applications like classification. Here, we explore efficient parameter estimation and supervised classification methods using an alternative distribution, called the Beta-Liouville multinomial, which relaxes some of the multinomial assumptions. We show that the Beta-Liouville multinomial is comparable in efficiency to the Dirichlet multinomial for Newton-Raphson maximum likelihood estimation, and that its performance on simulated data matches or exceeds that of the multinomial and Dirichlet multinomial distributions. Finally, we demonstrate that the Beta-Liouville multinomial outperforms the multinomial and Dirichlet multinomial on two out of four gold standard datasets, supporting its use in modeling data with low to medium class overlap in a supervised classification context.

Existing research into online multi-label classification, such as online sequential multi-label extreme learning machine (OSML-ELM) and stochastic gradient descent (SGD), has achieved promising performance. However, these works do not take label dependencies into consideration and lack a theoretical analysis of loss functions. Accordingly, we propose a novel online metric learning paradigm for multi-label classification to fill the current research gap. Generally, we first propose a new metric for multi-label classification which is based on $k$-Nearest Neighbour ($k$NN) and combined with large margin principle. Then, we adapt it to the online settting to derive our model which deals with massive volume ofstreaming data at a higher speed online. Specifically, in order to learn the new $k$NN-based metric, we first project instances in the training dataset into the label space, which make it possible for the comparisons of instances and labels in the same dimension. After that, we project both of them into a new lower dimension space simultaneously, which enables us to extract the structure of dependencies between instances and labels. Finally, we leverage the large margin and $k$NN principle to learn the metric with an efficient optimization algorithm. Moreover, we provide theoretical analysis on the upper bound of the cumulative loss for our method. Comprehensive experiments on a number of benchmark multi-label datasets validate our theoretical approach and illustrate that our proposed online metric learning (OML) algorithm outperforms state-of-the-art methods.

Federated Learning (FL) is very appealing for its privacy benefits: essentially, a global model is trained with updates computed on mobile devices while keeping the data of users local. Standard FL infrastructures are however designed to have no energy or performance impact on mobile devices, and are therefore not suitable for applications that require frequent (online) model updates, such as news recommenders. This paper presents FLeet, the first Online FL system, acting as a middleware between the Android OS and the machine learning application. FLeet combines the privacy of Standard FL with the precision of online learning thanks to two core components: (i) I-Prof, a new lightweight profiler that predicts and controls the impact of learning tasks on mobile devices, and (ii) AdaSGD, a new adaptive learning algorithm that is resilient to delayed updates. Our extensive evaluation shows that Online FL, as implemented by FLeet, can deliver a 2.3x quality boost compared to Standard FL, while only consuming 0.036% of the battery per day. I-Prof can accurately control the impact of learning tasks by improving the prediction accuracy up to 3.6x (computation time) and up to 19x (energy). AdaSGD outperforms alternative FL approaches by 18.4% in terms of convergence speed on heterogeneous data.

We develop a new approach for feature selection via gain penalization in tree-based models. First, we show that previous methods do not perform sufficient regularization and often exhibit sub-optimal out-of-sample performance, especially when correlated features are present. Instead, we develop a new gain penalization idea that exhibits a general local-global regularization for tree-based models. The new method allows for more flexibility in the choice of feature-specific importance weights. We validate our method on both simulated and real data and implement itas an extension of the popular R package ranger.

This paper is an in-depth investigation of using kernel methods to immunize optimization solutions against distributional ambiguity. We propose kernel distributionally robust optimization (K-DRO) using insights from the robust optimization theory and functional analysis. Our method uses reproducing kernel Hilbert spaces (RKHS) to construct ambiguity sets. It can be reformulated as a tractable program by using the conic duality of moment problems and an extension of the RKHS representer theorem. Our insights reveal that universal RKHSs are large enough for K-DRO to be effective. This paper provides both theoretical analyses that extend the robustness properties of kernel methods, as well as practical algorithms that can be applied to general optimization problems, not limited to kernelized models.

Metric learning is an important family of algorithms for classification and similarity search, but the robustness of learned metrics against small adversarial perturbations is less studied. In this paper, we show that existing metric learning algorithms, which focus on boosting the clean accuracy, can result in metrics that are less robust than the Euclidean distance. To overcome this problem, we propose a novel metric learning algorithm to find a Mahalanobis distance that is robust against adversarial perturbations, and the robustness of the resulting model is certifiable. Experimental results show that the proposed metric learning algorithm improves both certified robust errors and empirical robust errors (errors under adversarial attacks). Furthermore, unlike neural network defenses which usually encounter a trade-off between clean and robust errors, our method does not sacrifice clean errors compared with previous metric learning methods. Our code is available at https://github.com/wangwllu/provably_robust_metric_learning.

Learning from data owned by several parties, as in federated learning, raises challenges regarding the privacy guarantees provided to participants and the correctness of the computation in the presence of malicious parties. We tackle these challenges in the context of distributed averaging, an essential building block of distributed and federated learning. Our first contribution is a novel distributed differentially private protocol which naturally scales with the number of parties. The key idea underlying our protocol is to exchange correlated Gaussian noise along the edges of a network graph, complemented by independent noise added by each party. We analyze the differential privacy guarantees of our protocol and the impact of the graph topology, showing that we can match the accuracy of the trusted curator model even when each party communicates with only a logarithmic number of other parties chosen at random. This is in contrast with protocols in the local model of privacy (with lower accuracy) or based on secure aggregation (where all pairs of users need to exchange messages). Our second contribution is to enable users to prove the correctness of their computations without compromising the efficiency and privacy guarantees of the protocol. Our construction relies on standard cryptographic primitives like commitment schemes and zero knowledge proofs.

Molecular geometry prediction of flexible molecules, or conformer search, is a long-standing challenge in computational chemistry. This task is of great importance for predicting structure-activity relationships for a wide variety of substances ranging from biomolecules to ubiquitous materials. Substantial computational resources are invested in Monte Carlo and Molecular Dynamics methods to generate diverse and representative conformer sets for medium to large molecules, which are yet intractable to chemoinformatic conformer search methods. We present TorsionNet, an efficient sequential conformer search technique based on reinforcement learning under the rigid rotor approximation. The model is trained via curriculum learning, whose theoretical benefit is explored in detail, to maximize a novel metric grounded in thermodynamics called the Gibbs Score. Our experimental results show that TorsionNet outperforms the highest scoring chemoinformatics method by 4x on large branched alkanes, and by several orders of magnitude on the previously unexplored biopolymer lignin, with applications in renewable energy.

This paper describes an engine to optimize web publisher revenues from second-price auctions. These auctions are widely used to sell online ad spaces in a mechanism called real-time bidding (RTB). Optimization within these auctions is crucial for web publishers, because setting appropriate reserve prices can significantly increase revenue. We consider a practical real-world setting where the only available information before an auction occurs consists of a user identifier and an ad placement identifier. The real-world challenges we had to tackle consist mainly of tracking the dependencies on both the user and placement in an highly non-stationary environment and of dealing with censored bid observations. These challenges led us to make the following design choices: (i) we adopted a relatively simple non-parametric regression model of auction revenue based on an incremental time-weighted matrix factorization which implicitly builds adaptive users' and placements' profiles; (ii) we jointly used a non-parametric model to estimate the first and second bids' distribution when they are censored, based on an on-line extension of the Aalen's Additive model. Our engine is a component of a deployed system handling hundreds of web publishers across the world, serving billions of ads a day to hundreds of millions of visitors. The engine is able to predict, for each auction, an optimal reserve price in approximately one millisecond and yields a significant revenue increase for the web publishers.