A key task in Bayesian machine learning is sampling from distributions that are only specified up to a partition function (i.e., constant of proportionality). One prevalent example of this is sampling posteriors in parametric distributions, such as latent-variable generative models. However sampling (even very approximately) can be #P-hard. Classical results (going back to Bakry and Emery) on sampling focus on log-concave distributions, and show a natural Markov chain called Langevin diffusion mix in polynomial time. However, all log-concave distributions are uni-modal, while in practice it is very common for the distribution of interest to have multiple modes. In this case, Langevin diffusion suffers from torpid mixing. We address this problem by combining Langevin diffusion with simulated tempering. The result is a Markov chain that mixes more rapidly by transitioning between different temperatures of the distribution. We analyze this Markov chain for a mixture of (strongly) log-concave distributions of the same shape. In particular, our technique applies to the canonical multi-modal distribution: a mixture of gaussians (of equal variance). Our algorithm efficiently samples from these distributions given only access to the gradient of the log-pdf. To the best of our knowledge, this is the first result that proves fast mixing for multimodal distributions.

We present a convolutional network that is equivariant to rigid body motions. The model uses scalar-, vector-, and tensor fields over 3D Euclidean space to represent data, and equivariant convolutions to map between such representations. These SE(3)-equivariant convolutions utilize kernels which are parameterized as a linear combination of a complete steerable kernel basis, which is derived analytically in this paper. We prove that equivariant convolutions are the most general equivariant linear maps between fields over R^3. Our experimental results confirm the effectiveness of 3D Steerable CNNs for the problem of amino acid propensity prediction and protein structure classification, both of which have inherent SE(3) symmetry.

We present a new algorithm for stochastic variational inference that targets at models with non-differentiable densities. One of the key challenges in stochastic variational inference is to come up with a low-variance estimator of the gradient of a variational objective. We tackle the challenge by generalizing the reparameterization trick, one of the most effective techniques for addressing the variance issue for differentiable models, so that the trick works for non-differentiable models as well. Our algorithm splits the space of latent variables into regions where the density of the variables is differentiable, and their boundaries where the density may fail to be differentiable. For each differentiable region, the algorithm applies the standard reparameterization trick and estimates the gradient restricted to the region. For each potentially non-differentiable boundary, it uses a form of manifold sampling and computes the direction for variational parameters that, if followed, would increase the boundary's contribution to the variational objective. The sum of all the estimates becomes the gradient estimate of our algorithm. Our estimator enjoys the reduced variance of the reparameterization gradient while remaining unbiased even for non-differentiable models. The experiments with our preliminary implementation confirm the benefit of reduced variance and unbiasedness.

Approximate Bayesian computation (ABC) is an important methodology for Bayesian inference when the likelihood function is intractable. Sampling-based ABC algorithms such as rejection- and K2-ABC are inefficient when the parameters have high dimensions, while the regression-based algorithms such as K- and DR-ABC are hard to scale. In this paper, we introduce an optimization-based ABC framework that addresses these deficiencies. Leveraging a generative model for posterior and joint distribution matching, we show that ABC can be framed as saddle point problems, whose objectives can be accessed directly with samples. We present the predictive ABC algorithm (P-ABC), and provide a probabilistically approximately correct (PAC) bound that guarantees its learning consistency. Numerical experiment shows that P-ABC outperforms both K2- and DR-ABC significantly.

Error bound conditions (EBC) are properties that characterize the growth of an objective function when a point is moved away from the optimal set. They have recently received increasing attention in the field of optimization for developing optimization algorithms with fast convergence. However, the studies of EBC in statistical learning are hitherto still limited. The main contributions of this paper are two-fold. First, we develop fast and intermediate rates of empirical risk minimization (ERM) under EBC for risk minimization with Lipschitz continuous, and smooth convex random functions. Second, we establish fast and intermediate rates of an efficient stochastic approximation (SA) algorithm for risk minimization with Lipschitz continuous random functions, which requires only one pass of $n$ samples and adapts to EBC. For both approaches, the convergence rates span a full spectrum between $\widetilde O(1/\sqrt{n})$ and $\widetilde O(1/n)$ depending on the power constant in EBC, and could be even faster than $O(1/n)$ in special cases for ERM. Moreover, these convergence rates are automatically adaptive without using any knowledge of EBC. Overall, this work not only strengthens the understanding of ERM for statistical learning but also brings new fast stochastic algorithms for solving a broad range of statistical learning problems.

Suppose an n x d design matrix in a linear regression problem is given, but the response for each point is hidden unless explicitly requested. The goal is to sample only a small number k << n of the responses, and then produce a weight vector whose sum of squares loss over *all* points is at most 1+epsilon times the minimum. When k is very small (e.g., k=d), jointly sampling diverse subsets of points is crucial. One such method called "volume sampling" has a unique and desirable property that the weight vector it produces is an unbiased estimate of the optimum. It is therefore natural to ask if this method offers the optimal unbiased estimate in terms of the number of responses k needed to achieve a 1+epsilon loss approximation. Surprisingly we show that volume sampling can have poor behavior when we require a very accurate approximation -- indeed worse than some i.i.d. sampling techniques whose estimates are biased, such as leverage score sampling. We then develop a new rescaled variant of volume sampling that produces an unbiased estimate which avoids this bad behavior and has at least as good a tail bound as leverage score sampling: sample size k=O(d log d + d/epsilon) suffices to guarantee total loss at most 1+epsilon times the minimum with high probability. Thus, we improve on the best previously known sample size for an unbiased estimator, k=O(d^2/epsilon). Our rescaling procedure leads to a new efficient algorithm for volume sampling which is based on a "determinantal rejection sampling" technique with potentially broader applications to determinantal point processes. Other contributions include introducing the combinatorics needed for rescaled volume sampling and developing tail bounds for sums of dependent random matrices which arise in the process.

The question of which global minima are accessible by a stochastic gradient decent (SGD) algorithm with specific learning rate and batch size is studied from the perspective of dynamical stability. The concept of non-uniformity is introduced, which, together with sharpness, characterizes the stability property of a global minimum and hence the accessibility of a particular SGD algorithm to that global minimum. In particular, this analysis shows that learning rate and batch size play different roles in minima selection. Extensive empirical results seem to correlate well with the theoretical findings and provide further support to these claims.

Novelty detection is the problem of identifying whether a new data point is considered to be an inlier or an outlier. We assume that training data is available to describe only the inlier distribution. Recent approaches primarily leverage deep encoder-decoder network architectures to compute a reconstruction error that is used to either compute a novelty score or to train a one-class classifier. While we too leverage a novel network of that kind, we take a probabilistic approach and effectively compute how likely it is that a sample was generated by the inlier distribution. We achieve this with two main contributions. First, we make the computation of the novelty probability feasible because we linearize the parameterized manifold capturing the underlying structure of the inlier distribution, and show how the probability factorizes and can be computed with respect to local coordinates of the manifold tangent space. Second, we improve the training of the autoencoder network. An extensive set of results show that the approach achieves state-of-the-art performance on several benchmark datasets.

The co-occurrence of multiple diseases among the general population is an important problem as those patients have more risk of complications and represent a large share of health care expenditure. Learning to predict time-to-event probabilities for these patients is a challenging problem because the risks of events are correlated (there are competing risks) with often only few patients experiencing individual events of interest, and of those only a fraction are actually observed in the data. We introduce in this paper a survival model with the flexibility to leverage a common representation of related events that is designed to correct for the strong imbalance in observed outcomes. The procedure is sequential: outcome-specific survival distributions form the components of nonparametric multivariate estimators which we combine into an ensemble in such a way as to ensure accurate predictions on all outcome types simultaneously. Our algorithm is general and represents the first boosting-like method for time-to-event data with multiple outcomes. We demonstrate the performance of our algorithm on synthetic and real data.

In this paper, we propose a conceptually simple and general framework called MetaGAN for few-shot learning problems. Most state-of-the-art few-shot classification models can be integrated with MetaGAN in a principled and straightforward way. By introducing an adversarial generator conditioned on tasks, we augment vanilla few-shot classification models with the ability to discriminate between real and fake data. We argue that this GAN-based approach can help few-shot classifiers to learn sharper decision boundary, which could generalize better. We show that with our MetaGAN framework, we can extend supervised few-shot learning models to naturally cope with unsupervised data. Different from previous work in semi-supervised few-shot learning, our algorithms can deal with semi-supervision at both sample-level and task-level. We give theoretical justifications of the strength of MetaGAN, and validate the effectiveness of MetaGAN on challenging few-shot image classification benchmarks.