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Motivated by the problem of exploring discrete but very complex state spaces in Bayesian models, we propose a novel Markov Chain Monte Carlo search algorithm: the taxicab sampler. We describe the construction of this sampler and discuss how its interpretation and usage differs from that of standard Metropolis-Hastings as well as the related Hamming ball sampler. The proposed sampling algorithm is then shown to demonstrate substantial improvement in computation time without any loss of efficiency relative to a na\"ive Metropolis-Hastings search in a motivating Bayesian regression tree count model, in which we leverage the discrete state space assumption to construct a novel likelihood function that allows for flexibly describing different mean-variance relationships while preserving parameter interpretability compared to existing likelihood functions for count data.

Skills or low-level policies in reinforcement learning are temporally extended actions that can speed up learning and enable complex behaviours. Recent work in offline reinforcement learning and imitation learning has proposed several techniques for skill discovery from a set of expert trajectories. While these methods are promising, the number K of skills to discover is always a fixed hyperparameter, which requires either prior knowledge about the environment or an additional parameter search to tune it. We first propose a method for offline learning of options (a particular skill framework) exploiting advances in variational inference and continuous relaxations. We then highlight an unexplored connection between Bayesian nonparametrics and offline skill discovery, and show how to obtain a nonparametric version of our model. This version is tractable thanks to a carefully structured approximate posterior with a dynamically-changing number of options, removing the need to specify K. We also show how our nonparametric extension can be applied in other skill frameworks, and empirically demonstrate that our method can outperform state-of-the-art offline skill learning algorithms across a variety of environments. Our code is available at //github.com/layer6ai-labs/BNPO .

Learning a robust classifier from a few samples remains a key challenge in machine learning. A major thrust of research has been focused on developing $k$-nearest neighbor ($k$-NN) based algorithms combined with metric learning that captures similarities between samples. When the samples are limited, robustness is especially crucial to ensure the generalization capability of the classifier. In this paper, we study a minimax distributionally robust formulation of weighted $k$-nearest neighbors, which aims to find the optimal weighted $k$-NN classifiers that hedge against feature uncertainties. We develop an algorithm, \texttt{Dr.k-NN}, that efficiently solves this functional optimization problem and features in assigning minimax optimal weights to training samples when performing classification. These weights are class-dependent, and are determined by the similarities of sample features under the least favorable scenarios. When the size of the uncertainty set is properly tuned, the robust classifier has a smaller Lipschitz norm than the vanilla $k$-NN, and thus improves the generalization capability. We also couple our framework with neural-network-based feature embedding. We demonstrate the competitive performance of our algorithm compared to the state-of-the-art in the few-training-sample setting with various real-data experiments.

We present a numerical method to model dynamical systems from data. We use the recently introduced method Scalable Probabilistic Approximation (SPA) to project points from a Euclidean space to convex polytopes and represent these projected states of a system in new, lower-dimensional coordinates denoting their position in the polytope. We then introduce a specific nonlinear transformation to construct a model of the dynamics in the polytope and to transform back into the original state space. To overcome the potential loss of information from the projection to a lower-dimensional polytope, we use memory in the sense of the delay-embedding theorem of Takens. By construction, our method produces stable models. We illustrate the capacity of the method to reproduce even chaotic dynamics and attractors with multiple connected components on various examples.

When evaluating and comparing models using leave-one-out cross-validation (LOO-CV), the uncertainty of the estimate is typically assessed using the variance of the sampling distribution. Considering the uncertainty is important, as the variability of the estimate can be high in some cases. An important result by Bengio and Grandvalet (2004) states that no general unbiased variance estimator can be constructed, that would apply for any utility or loss measure and any model. We show that it is possible to construct an unbiased estimator considering a specific predictive performance measure and model. We demonstrate an unbiased sampling distribution variance estimator for the Bayesian normal model with fixed model variance using the expected log pointwise predictive density (elpd) utility score. This example demonstrates that it is possible to obtain improved, problem-specific, unbiased estimators for assessing the uncertainty in LOO-CV estimation.

A/B test, a simple type of controlled experiment, refers to the statistical procedure of experimenting to compare two treatments applied to test subjects. For example, many IT companies frequently conduct A/B tests on their users who are connected and form social networks. Often, the users' responses could be related to the network connection. In this paper, we assume that the users, or the test subjects of the experiments, are connected on an undirected network, and the responses of two connected users are correlated. We include the treatment assignment, covariate features, and network connection in a conditional autoregressive model. Based on this model, we propose a design criterion that measures the variance of the estimated treatment effect and allocate the treatment settings to the test subjects by minimizing the criterion. Since the design criterion depends on an unknown network correlation parameter, we adopt the locally optimal design method and develop a hybrid optimization approach to obtain the optimal design. Through synthetic and real social network examples, we demonstrate the value of including network dependence in designing A/B experiments and validate that the proposed locally optimal design is robust to the choices of parameters.

Recent work has proposed stochastic Plackett-Luce (PL) ranking models as a robust choice for optimizing relevance and fairness metrics. Unlike their deterministic counterparts that require heuristic optimization algorithms, PL models are fully differentiable. Theoretically, they can be used to optimize ranking metrics via stochastic gradient descent. However, in practice, the computation of the gradient is infeasible because it requires one to iterate over all possible permutations of items. Consequently, actual applications rely on approximating the gradient via sampling techniques. In this paper, we introduce a novel algorithm: PL-Rank, that estimates the gradient of a PL ranking model w.r.t. both relevance and fairness metrics. Unlike existing approaches that are based on policy gradients, PL-Rank makes use of the specific structure of PL models and ranking metrics. Our experimental analysis shows that PL-Rank has a greater sample-efficiency and is computationally less costly than existing policy gradients, resulting in faster convergence at higher performance. PL-Rank further enables the industry to apply PL models for more relevant and fairer real-world ranking systems.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.

Large margin nearest neighbor (LMNN) is a metric learner which optimizes the performance of the popular $k$NN classifier. However, its resulting metric relies on pre-selected target neighbors. In this paper, we address the feasibility of LMNN's optimization constraints regarding these target points, and introduce a mathematical measure to evaluate the size of the feasible region of the optimization problem. We enhance the optimization framework of LMNN by a weighting scheme which prefers data triplets which yield a larger feasible region. This increases the chances to obtain a good metric as the solution of LMNN's problem. We evaluate the performance of the resulting feasibility-based LMNN algorithm using synthetic and real datasets. The empirical results show an improved accuracy for different types of datasets in comparison to regular LMNN.

In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.