We address the problem of regret minimization in logistic contextual bandits, where a learner decides among sequential actions or arms given their respective contexts to maximize binary rewards. Using a fast inference procedure with Polya-Gamma distributed augmentation variables, we propose an improved version of Thompson Sampling, a Bayesian formulation of contextual bandits with near-optimal performance. Our approach, Polya-Gamma augmented Thompson Sampling (PG-TS), achieves state-of-the-art performance on simulated and real data. PG-TS explores the action space efficiently and exploits high-reward arms, quickly converging to solutions of low regret. Its explicit estimation of the posterior distribution of the context feature covariance leads to substantial empirical gains over approximate approaches. PG-TS is the first approach to demonstrate the benefits of Polya-Gamma augmentation in bandits and to propose an efficient Gibbs sampler for approximating the analytically unsolvable integral of logistic contextual bandits.

This paper studies the problem of distributed stochastic optimization in an adversarial setting where, out of $m$ machines which allegedly compute stochastic gradients every iteration, an $\alpha$-fraction are Byzantine, and may behave adversarially. Our main result is a variant of stochastic gradient descent (SGD) which finds $\varepsilon$-approximate minimizers of convex functions in $T = \tilde{O}\big( \frac{1}{\varepsilon^2 m} + \frac{\alpha^2}{\varepsilon^2} \big)$ iterations. In contrast, traditional mini-batch SGD needs $T = O\big( \frac{1}{\varepsilon^2 m} \big)$ iterations, but cannot tolerate Byzantine failures. Further, we provide a lower bound showing that, up to logarithmic factors, our algorithm is information-theoretically optimal both in terms of sample complexity and time complexity.

Although the recent progress is substantial, deep learning methods can be vulnerable to the maliciously generated adversarial examples. In this paper, we present a novel training procedure and a thresholding test strategy, towards robust detection of adversarial examples. In training, we propose to minimize the reverse cross-entropy (RCE), which encourages a deep network to learn latent representations that better distinguish adversarial examples from normal ones. In testing, we propose to use a thresholding strategy as the detector to filter out adversarial examples for reliable predictions. Our method is simple to implement using standard algorithms, with little extra training cost compared to the common cross-entropy minimization. We apply our method to defend various attacking methods on the widely used MNIST and CIFAR-10 datasets, and achieve significant improvements on robust predictions under all the threat models in the adversarial setting.

A machine learning model may exhibit discrimination when used to make decisions involving people. One potential cause for such outcomes is that the model uses a statistical proxy for a protected demographic attribute. In this paper we formulate a definition of proxy use for the setting of linear regression and present algorithms for detecting proxies. Our definition follows recent work on proxies in classification models, and characterizes a model's constituent behavior that: 1) correlates closely with a protected random variable, and 2) is causally influential in the overall behavior of the model. We show that proxies in linear regression models can be efficiently identified by solving a second-order cone program, and further extend this result to account for situations where the use of a certain input variable is justified as a ``business necessity''. Finally, we present empirical results on two law enforcement datasets that exhibit varying degrees of racial disparity in prediction outcomes, demonstrating that proxies shed useful light on the causes of discriminatory behavior in models.

Decentralized machine learning is a promising emerging paradigm in view of global challenges of data ownership and privacy. We consider learning of linear classification and regression models, in the setting where the training data is decentralized over many user devices, and the learning algorithm must run on-device, on an arbitrary communication network, without a central coordinator. We propose COLA, a new decentralized training algorithm with strong theoretical guarantees and superior practical performance. Our framework overcomes many limitations of existing methods, and achieves communication efficiency, scalability, elasticity as well as resilience to changes in data and allows for unreliable and heterogeneous participating devices.

We propose stochastic optimization algorithms that can find local minima faster than existing algorithms for nonconvex optimization problems, by exploiting the third-order smoothness to escape non-degenerate saddle points more efficiently. More specifically, the proposed algorithm only needs $\tilde{O}(\epsilon^{-10/3})$ stochastic gradient evaluations to converge to an approximate local minimum $\mathbf{x}$, which satisfies $\|\nabla f(\mathbf{x})\|_2\leq\epsilon$ and $\lambda_{\min}(\nabla^2 f(\mathbf{x}))\geq -\sqrt{\epsilon}$ in unconstrained stochastic optimization, where $\tilde{O}(\cdot)$ hides logarithm polynomial terms and constants. This improves upon the $\tilde{O}(\epsilon^{-7/2})$ gradient complexity achieved by the state-of-the-art stochastic local minima finding algorithms by a factor of $\tilde{O}(\epsilon^{-1/6})$. Experiments on two nonconvex optimization problems demonstrate the effectiveness of our algorithm and corroborate our theory.

Understanding and interpreting how machine learning (ML) models make decisions have been a big challenge. While recent research has proposed various technical approaches to provide some clues as to how an ML model makes individual predictions, they cannot provide users with an ability to inspect a model as a complete entity. In this work, we propose a novel technical approach that augments a Bayesian non-parametric regression mixture model with multiple elastic nets. Using the enhanced mixture model, we can extract generalizable insights for a target model through a global approximation. To demonstrate the utility of our approach, we evaluate it on different ML models in the context of image recognition. The empirical results indicate that our proposed approach not only outperforms the state-of-the-art techniques in explaining individual decisions but also provides users with an ability to discover the vulnerabilities of the target ML models.

Huge scale machine learning problems are nowadays tackled by distributed optimization algorithms, i.e. algorithms that leverage the compute power of many devices for training. The communication overhead is a key bottleneck that hinders perfect scalability. Various recent works proposed to use quantization or sparsification techniques to reduce the amount of data that needs to be communicated, for instance by only sending the most significant entries of the stochastic gradient (top-k sparsification). Whilst such schemes showed very promising performance in practice, they have eluded theoretical analysis so far. In this work we analyze Stochastic Gradient Descent (SGD) with k-sparsification or compression (for instance top-k or random-k) and show that this scheme converges at the same rate as vanilla SGD when equipped with error compensation (keeping track of accumulated errors in memory). That is, communication can be reduced by a factor of the dimension of the problem (sometimes even more) whilst still converging at the same rate. We present numerical experiments to illustrate the theoretical findings and the good scalability for distributed applications.

Machine learning models are changing the paradigm of molecular modeling, which is a fundamental tool for material science, chemistry, and computational biology. Of particular interest is the inter-atomic potential energy surface (PES). Here we develop Deep Potential - Smooth Edition (DeepPot-SE), an end-to-end machine learning-based PES model, which is able to efficiently represent the PES for a wide variety of systems with the accuracy of ab initio quantum mechanics models. By construction, DeepPot-SE is extensive and continuously differentiable, scales linearly with system size, and preserves all the natural symmetries of the system. Further, we show that DeepPot-SE describes finite and extended systems including organic molecules, metals, semiconductors, and insulators with high fidelity.

We propose a technique for declaratively specifying strategies for semi-supervised learning (SSL). SSL methods based on different assumptions perform differently on different tasks, which leads to difficulties applying them in practice. In this paper, we propose to use entropy to unify many types of constraints. Our method can be used to easily specify ensembles of semi-supervised learners, as well as agreement constraints and entropic regularization constraints between these learners, and can be used to model both well-known heuristics such as co-training, and novel domain-specific heuristics. Besides, our model is flexible as to the underlying learning mechanism. Compared to prior frameworks for specifying SSL techniques, our technique achieves consistent improvements on a suite of well-studied SSL benchmarks, and obtains a new state-of-the-art result on a difficult relation extraction task.