Bayesian interpretations of neural processing require that biological mechanisms represent and operate upon probability distributions in accordance with Bayes' theorem. Many have speculated that synaptic failure constitutes a mechanism of variational, i.e., approximate, Bayesian inference in the brain. Whereas models have previously used synaptic failure to sample over uncertainty in model parameters, we demonstrate that by adapting transmission probabilities to learned network weights, synaptic failure can sample not only over model uncertainty, but complete posterior predictive distributions as well. Our results potentially explain the brain's ability to perform probabilistic searches and to approximate complex integrals. These operations are involved in numerous calculations, including likelihood evaluation and state value estimation for complex planning.

We develop a regression based primal-dual martingale approach for solving finite time horizon MDPs with general state and action space. As a result, our method allows for the construction of tight upper and lower biased approximations of the value functions, and, provides tight approximations to the optimal policy. In particular, we prove tight error bounds for the estimated duality gap featuring polynomial dependence on the time horizon, and sublinear dependence on the cardinality/dimension of the possibly infinite state and action space. From a computational point of view the proposed method is efficient since, in contrast to usual duality-based methods for optimal control problems in the literature, the Monte Carlo procedures here involved do not require nested simulations.

Markov chain Monte Carlo (MCMC) is an established approach for uncertainty quantification and propagation in scientific applications. A key challenge in applying MCMC to scientific domains is computation: the target density of interest is often a function of expensive computations, such as a high-fidelity physical simulation, an intractable integral, or a slowly-converging iterative algorithm. Thus, using an MCMC algorithms with an expensive target density becomes impractical, as these expensive computations need to be evaluated at each iteration of the algorithm. In practice, these computations often approximated via a cheaper, low-fidelity computation, leading to bias in the resulting target density. Multi-fidelity MCMC algorithms combine models of varying fidelities in order to obtain an approximate target density with lower computational cost. In this paper, we describe a class of asymptotically exact multi-fidelity MCMC algorithms for the setting where a sequence of models of increasing fidelity can be computed that approximates the expensive target density of interest. We take a pseudo-marginal MCMC approach for multi-fidelity inference that utilizes a cheaper, randomized-fidelity unbiased estimator of the target fidelity constructed via random truncation of a telescoping series of the low-fidelity sequence of models. Finally, we discuss and evaluate the proposed multi-fidelity MCMC approach on several applications, including log-Gaussian Cox process modeling, Bayesian ODE system identification, PDE-constrained optimization, and Gaussian process regression parameter inference.

Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian Optimization (BO) employs uncertainty-aware machine learning models to select promising designs to evaluate, hence reducing the cost. However, BO with mixed numerical and categorical variables, which is of particular interest in materials design, has not been well studied. In this work, we survey frequentist and Bayesian approaches to uncertainty quantification of machine learning with mixed variables. We then conduct a systematic comparative study of their performances in BO using a popular representative model from each group, the random forest-based Lolo model (frequentist) and the latent variable Gaussian process model (Bayesian). We examine the efficacy of the two models in the optimization of mathematical functions, as well as properties of structural and functional materials, where we observe performance differences as related to problem dimensionality and complexity. By investigating the machine learning models' predictive and uncertainty estimation capabilities, we provide interpretations of the observed performance differences. Our results provide practical guidance on choosing between frequentist and Bayesian uncertainty-aware machine learning models for mixed-variable BO in materials design.

In this paper, we address the problem of sampling-based motion planning under motion and measurement uncertainty with probabilistic guarantees. We generalize traditional sampling-based tree-based motion planning algorithms for deterministic systems and propose belief-$\mathcal{A}$, a framework that extends any kinodynamical tree-based planner to the belief space for linear (or linearizable) systems. We introduce appropriate sampling techniques and distance metrics for the belief space that preserve the probabilistic completeness and asymptotic optimality properties of the underlying planner. We demonstrate the efficacy of our approach for finding safe low-cost paths efficiently and asymptotically optimally in simulation, for both holonomic and non-holonomic systems.

Grazing-Incidence Small-Angle X-ray Scattering (GISAXS) is a modern imaging technique used in material research to study nanoscale materials. Reconstruction of the parameters of an imaged object imposes an ill-posed inverse problem that is further complicated when only an in-plane GISAXS signal is available. Traditionally used inference algorithms such as Approximate Bayesian Computation (ABC) rely on computationally expensive scattering simulation software, rendering analysis highly time-consuming. We propose a simulation-based framework that combines variational auto-encoders and normalizing flows to estimate the posterior distribution of object parameters given its GISAXS data. We apply the inference pipeline to experimental data and demonstrate that our method reduces the inference cost by orders of magnitude while producing consistent results with ABC.

Meta-learning or learning to learn is a popular approach for learning new tasks with limited data (i.e., few-shot learning) by leveraging the commonalities among different tasks. However, meta-learned models can perform poorly when context data is limited, or when data is drawn from an out-of-distribution (OoD) task. Especially in safety-critical settings, this necessitates an uncertainty-aware approach to meta-learning. In addition, the often multimodal nature of task distributions can pose unique challenges to meta-learning methods. In this work, we present UnLiMiTD (uncertainty-aware meta-learning for multimodal task distributions), a novel method for meta-learning that (1) makes probabilistic predictions on in-distribution tasks efficiently, (2) is capable of detecting OoD context data at test time, and (3) performs on heterogeneous, multimodal task distributions. To achieve this goal, we take a probabilistic perspective and train a parametric, tuneable distribution over tasks on the meta-dataset. We construct this distribution by performing Bayesian inference on a linearized neural network, leveraging Gaussian process theory. We demonstrate that UnLiMiTD's predictions compare favorably to, and outperform in most cases, the standard baselines, especially in the low-data regime. Furthermore, we show that UnLiMiTD is effective in detecting data from OoD tasks. Finally, we confirm that both of these findings continue to hold in the multimodal task-distribution setting.

Preferences play a key role in determining what goals/constraints to satisfy when not all constraints can be satisfied simultaneously. In this paper, we study how to synthesize preference satisfying plans in stochastic systems, modeled as an MDP, given a (possibly incomplete) combinative preference model over temporally extended goals. We start by introducing new semantics to interpret preferences over infinite plays of the stochastic system. Then, we introduce a new notion of improvement to enable comparison between two prefixes of an infinite play. Based on this, we define two solution concepts called safe and positively improving (SPI) and safe and almost-surely improving (SASI) that enforce improvements with a positive probability and with probability one, respectively. We construct a model called an improvement MDP, in which the synthesis of SPI and SASI strategies that guarantee at least one improvement reduces to computing positive and almost-sure winning strategies in an MDP. We present an algorithm to synthesize the SPI and SASI strategies that induce multiple sequential improvements. We demonstrate the proposed approach using a robot motion planning problem.

We study the problem of extracting biometric information of individuals by looking at shadows of objects cast on diffuse surfaces. We show that the biometric information leakage from shadows can be sufficient for reliable identity inference under representative scenarios via a maximum likelihood analysis. We then develop a learning-based method that demonstrates this phenomenon in real settings, exploiting the subtle cues in the shadows that are the source of the leakage without requiring any labeled real data. In particular, our approach relies on building synthetic scenes composed of 3D face models obtained from a single photograph of each identity. We transfer what we learn from the synthetic data to the real data using domain adaptation in a completely unsupervised way. Our model is able to generalize well to the real domain and is robust to several variations in the scenes. We report high classification accuracies in an identity classification task that takes place in a scene with unknown geometry and occluding objects.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.