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 Uncertainty


Transfer Learning for Bayesian Optimization: A Survey

arXiv.org Artificial Intelligence

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such expensive "black-box" functions. However, at the beginning of optimization, vanilla Bayesian optimization methods often suffer from slow convergence issue due to inaccurate modeling based on few trials. To address this issue, researchers in the BO community propose to incorporate the spirit of transfer learning to accelerate optimization process, which could borrow strength from the past tasks (source tasks) to accelerate the current optimization problem (target task). This survey paper first summarizes transfer learning methods for Bayesian optimization from four perspectives: initial points design, search space design, surrogate model, and acquisition function. Then it highlights its methodological aspects and technical details for each approach. Finally, it showcases a wide range of applications and proposes promising future directions.


Variational Bayesian Neural Networks via Resolution of Singularities

arXiv.org Artificial Intelligence

In this work, we advocate for the importance of singular learning theory (SLT) as it pertains to the theory and practice of variational inference in Bayesian neural networks (BNNs). To begin, using SLT, we lay to rest some of the confusion surrounding discrepancies between downstream predictive performance measured via e.g., the test log predictive density, and the variational objective. Next, we use the SLT-corrected asymptotic form for singular posterior distributions to inform the design of the variational family itself. Specifically, we build upon the idealized variational family introduced in \citet{bhattacharya_evidence_2020} which is theoretically appealing but practically intractable. Our proposal takes shape as a normalizing flow where the base distribution is a carefully-initialized generalized gamma. We conduct experiments comparing this to the canonical Gaussian base distribution and show improvements in terms of variational free energy and variational generalization error.


Recursive Estimation of Conditional Kernel Mean Embeddings

arXiv.org Artificial Intelligence

Kernel mean embeddings, a widely used technique in machine learning, map probability distributions to elements of a reproducing kernel Hilbert space (RKHS). For supervised learning problems, where input-output pairs are observed, the conditional distribution of outputs given the inputs is a key object. The input dependent conditional distribution of an output can be encoded with an RKHS valued function, the conditional kernel mean map. In this paper we present a new recursive algorithm to estimate the conditional kernel mean map in a Hilbert space valued $L_2$ space, that is in a Bochner space. We prove the weak and strong $L_2$ consistency of our recursive estimator under mild conditions. The idea is to generalize Stone's theorem for Hilbert space valued regression in a locally compact Polish space. We present new insights about conditional kernel mean embeddings and give strong asymptotic bounds regarding the convergence of the proposed recursive method. Finally, the results are demonstrated on three application domains: for inputs coming from Euclidean spaces, Riemannian manifolds and locally compact subsets of function spaces.


Differentially Private Normalizing Flows for Density Estimation, Data Synthesis, and Variational Inference with Application to Electronic Health Records

arXiv.org Artificial Intelligence

Electronic health records (EHR) often contain sensitive medical information about individual patients, posing significant limitations to sharing or releasing EHR data for downstream learning and inferential tasks. We use normalizing flows (NF), a family of deep generative models, to estimate the probability density of a dataset with differential privacy (DP) guarantees, from which privacy-preserving synthetic data are generated. We apply the technique to an EHR dataset containing patients with pulmonary hypertension. We assess the learning and inferential utility of the synthetic data by comparing the accuracy in the prediction of the hypertension status and variational posterior distribution of the parameters of a physics-based model. In addition, we use a simulated dataset from a nonlinear model to compare the results from variational inference (VI) based on privacy-preserving synthetic data, and privacy-preserving VI obtained from directly privatizing NFs for VI with DP guarantees given the original non-private dataset. The results suggest that synthetic data generated through differentially private density estimation with NF can yield good utility at a reasonable privacy cost. We also show that VI obtained from differentially private NF based on the free energy bound loss may produce variational approximations with significantly altered correlation structure, and loss formulations based on alternative dissimilarity metrics between two distributions might provide improved results.


Graph Neural Network-Inspired Kernels for Gaussian Processes in Semi-Supervised Learning

arXiv.org Artificial Intelligence

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a promising class of models for graph-structured data in semi-supervised learning and beyond. Their competitive performance is often attributed to a proper capturing of the graph inductive bias. In this work, we introduce this inductive bias into GPs to improve their predictive performance for graph-structured data. We show that a prominent example of GNNs, the graph convolutional network, is equivalent to some GP when its layers are infinitely wide; and we analyze the kernel universality and the limiting behavior in depth. We further present a programmable procedure to compose covariance kernels inspired by this equivalence and derive example kernels corresponding to several interesting members of the GNN family. We also propose a computationally efficient approximation of the covariance matrix for scalable posterior inference with large-scale data. We demonstrate that these graph-based kernels lead to competitive classification and regression performance, as well as advantages in computation time, compared with the respective GNNs.


Pushing the Accuracy-Group Robustness Frontier with Introspective Self-play

arXiv.org Artificial Intelligence

Standard empirical risk minimization (ERM) training can produce deep neural network (DNN) models that are accurate on average but under-perform in under-represented population subgroups, especially when there are imbalanced group distributions in the long-tailed training data. Therefore, approaches that improve the accuracy-group robustness trade-off frontier of a DNN model (i.e. improving worst-group accuracy without sacrificing average accuracy, or vice versa) is of crucial importance. Uncertainty-based active learning (AL) can potentially improve the frontier by preferentially sampling underrepresented subgroups to create a more balanced training dataset. However, the quality of uncertainty estimates from modern DNNs tend to degrade in the presence of spurious correlations and dataset bias, compromising the effectiveness of AL for sampling tail groups. In this work, we propose Introspective Self-play (ISP), a simple approach to improve the uncertainty estimation of a deep neural network under dataset bias, by adding an auxiliary introspection task requiring a model to predict the bias for each data point in addition to the label. We show that ISP provably improves the bias-awareness of the model representation and the resulting uncertainty estimates. On two real-world tabular and language tasks, ISP serves as a simple "plug-in" for AL model training, consistently improving both the tail-group sampling rate and the final accuracy-fairness trade-off frontier of popular AL methods.


Virtual Reality via Object Pose Estimation and Active Learning: Realizing Telepresence Robots with Aerial Manipulation Capabilities

arXiv.org Artificial Intelligence

This article presents a novel telepresence system for advancing aerial manipulation in dynamic and unstructured environments. The proposed system not only features a haptic device, but also a virtual reality (VR) interface that provides real-time 3D displays of the robot's workspace as well as a haptic guidance to its remotely located operator. To realize this, multiple sensors namely a LiDAR, cameras and IMUs are utilized. For processing of the acquired sensory data, pose estimation pipelines are devised for industrial objects of both known and unknown geometries. We further propose an active learning pipeline in order to increase the sample efficiency of a pipeline component that relies on Deep Neural Networks (DNNs) based object detection. All these algorithms jointly address various challenges encountered during the execution of perception tasks in industrial scenarios. In the experiments, exhaustive ablation studies are provided to validate the proposed pipelines. Methodologically, these results commonly suggest how an awareness of the algorithms' own failures and uncertainty (`introspection') can be used tackle the encountered problems. Moreover, outdoor experiments are conducted to evaluate the effectiveness of the overall system in enhancing aerial manipulation capabilities. In particular, with flight campaigns over days and nights, from spring to winter, and with different users and locations, we demonstrate over 70 robust executions of pick-and-place, force application and peg-in-hole tasks with the DLR cable-Suspended Aerial Manipulator (SAM). As a result, we show the viability of the proposed system in future industrial applications.


Antifragile Control Systems: The case of mobile robot trajectory tracking in the presence of uncertainty

arXiv.org Artificial Intelligence

Mobile robots are ubiquitous. Such vehicles benefit from well-designed and calibrated control algorithms ensuring their task execution under precise uncertainty bounds. Yet, in tasks involving humans in the loop, such as elderly or mobility impaired, the problem takes a new dimension. In such cases, the system needs not only to compensate for uncertainty and volatility in its operation but at the same time to anticipate and offer responses that go beyond robust. Such robots operate in cluttered, complex environments, akin to human residences, and need to face during their operation sensor and, even, actuator faults, and still operate. This is where our thesis comes into the foreground. We propose a new control design framework based on the principles of antifragility. Such a design is meant to offer a high uncertainty anticipation given previous exposure to failures and faults, and exploit this anticipation capacity to provide performance beyond robust. In the current instantiation of antifragile control applied to mobile robot trajectory tracking, we provide controller design steps, the analysis of performance under parametrizable uncertainty and faults, as well as an extended comparative evaluation against state-of-the-art controllers. We believe in the potential antifragile control has in achieving closed-loop performance in the face of uncertainty and volatility by using its exposures to uncertainty to increase its capacity to anticipate and compensate for such events.


Robust multi-item auction design using statistical learning: Overcoming uncertainty in bidders' types distributions

arXiv.org Machine Learning

This paper presents a novel mechanism design for multi-item auction settings with uncertain bidders' type distributions. Our proposed approach utilizes nonparametric density estimation to accurately estimate bidders' types from historical bids, and is built upon the Vickrey-Clarke-Groves (VCG) mechanism, ensuring satisfaction of Bayesian incentive compatibility (BIC) and $\delta$-individual rationality (IR). To further enhance the efficiency of our mechanism, we introduce two novel strategies for query reduction: a filtering method that screens potential winners' value regions within the confidence intervals generated by our estimated distribution, and a classification strategy that designates the lower bound of an interval as the estimated type when the length is below a threshold value. Simulation experiments conducted on both small-scale and large-scale data demonstrate that our mechanism consistently outperforms existing methods in terms of revenue maximization and query reduction, particularly in large-scale scenarios. This makes our proposed mechanism a highly desirable and effective option for sellers in the realm of multi-item auctions.


Incorporating Expert Opinion on Observable Quantities into Statistical Models -- A General Framework

arXiv.org Artificial Intelligence

This article describes an approach to incorporate expert opinion on observable quantities through the use of a loss function which updates a prior belief as opposed to specifying parameters on the priors. Eliciting information on observable quantities allows experts to provide meaningful information on a quantity familiar to them, in contrast to elicitation on model parameters, which may be subject to interactions with other parameters or non-linear transformations before obtaining an observable quantity. The approach to incorporating expert opinion described in this paper is distinctive in that we do not specify a prior to match an expert's opinion on observed quantity, rather we obtain a posterior by updating the model parameters through a loss function. This loss function contains the observable quantity, expressed a function of the parameters, and is related to the expert's opinion which is typically operationalized as a statistical distribution. Parameters which generate observable quantities which are further from the expert's opinion incur a higher loss, allowing for the model parameters to be estimated based on their fidelity to both the data and expert opinion, with the relative strength determined by the number of observations and precision of the elicited belief. Including expert opinion in this fashion allows for a flexible specification of the opinion and in many situations is straightforward to implement with commonly used probabilistic programming software. We highlight this using three worked examples of varying model complexity including survival models, a multivariate normal distribution and a regression problem.