Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment. Bayesian Optimization (BO) techniques are known to be effective in tackling global optimization problems using a relatively small number objective function evaluations, but their performance suffers when dealing with high-dimensional outputs. To overcome the major challenge of dimensionality, here we propose a deep learning framework for BO and sequential decision making based on bootstrapped ensembles of neural architectures with randomized priors. Using appropriate architecture choices, we show that the proposed framework can approximate functional relationships between design variables and quantities of interest, even in cases where the latter take values in high-dimensional vector spaces or even infinite-dimensional function spaces. In the context of BO, we augmented the proposed probabilistic surrogates with re-parameterized Monte Carlo approximations of multiple-point (parallel) acquisition functions, as well as methodological extensions for accommodating black-box constraints and multi-fidelity information sources. We test the proposed framework against state-of-the-art methods for BO and demonstrate superior performance across several challenging tasks with high-dimensional outputs, including a constrained optimization task involving shape optimization of rotor blades in turbo-machinery.
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Gaussianization is a simple generative model that can be trained without backpropagation. It has shown compelling performance on low dimensional data. As the dimension increases, however, it has been observed that the convergence speed slows down. We show analytically that the number of required layers scales linearly with the dimension for Gaussian input. We argue that this is because the model is unable to capture dependencies between dimensions. Empirically, we find the same linear increase in cost for arbitrary input $p(x)$, but observe favorable scaling for some distributions. We explore potential speed-ups and formulate challenges for further research.
We introduce a new approach to prediction in graphical models with latent-shift adaptation, i.e., where source and target environments differ in the distribution of an unobserved confounding latent variable. Previous work has shown that as long as "concept" and "proxy" variables with appropriate dependence are observed in the source environment, the latent-associated distributional changes can be identified, and target predictions adapted accurately. However, practical estimation methods do not scale well when the observations are complex and high-dimensional, even if the confounding latent is categorical. Here we build upon a recently proposed probabilistic unsupervised learning framework, the recognition-parametrised model (RPM), to recover low-dimensional, discrete latents from image observations. Applied to the problem of latent shifts, our novel form of RPM identifies causal latent structure in the source environment, and adapts properly to predict in the target. We demonstrate results in settings where predictor and proxy are high-dimensional images, a context to which previous methods fail to scale.
Ultra-reliable and low-latency communication has received significant research attention. A key part of this evolution are the Time-Sensitive Networking (TSN) standards, which extend Ethernet with real-time mechanisms. To guarantee high reliability, the standard IEEE 802.1CB-2017 Frame Replication and Elimination for Reliability enables redundant communication over disjoint paths. While this mechanism is essential for time-critical applications, the standard contains some fundamental limitations that can compromise safety. Although some of these limitations have been addressed, none of the previous works provide solutions to these problems. This paper presents solutions to four main limitations of the IEEE 802.1CB-2017 standard. These are 1) choosing match versus vector recovery algorithm, 2) defining the length of the sequence history, 3) setting a timer to reset the sequence history, and 4) dimensioning the burst size in case of link failures. We show how these challenges can be solved by using best- and worst-case path delays of the network. We have performed simulations to illustrate the impact of the limitations and prove the correctness of our solutions. Thereby, we demonstrate how our solutions can improve reliability in TSN networks and propose these methods as guidance for users of the IEEE 802.1CB standard.
We propose to use L\'evy {\alpha}-stable distributions for constructing priors for Bayesian inverse problems. The construction is based on Markov fields with stable-distributed increments. Special cases include the Cauchy and Gaussian distributions, with stability indices {\alpha} = 1, and {\alpha} = 2, respectively. Our target is to show that these priors provide a rich class of priors for modelling rough features. The main technical issue is that the {\alpha}-stable probability density functions do not have closed-form expressions in general, and this limits their applicability. For practical purposes, we need to approximate probability density functions through numerical integration or series expansions. Current available approximation methods are either too time-consuming or do not function within the range of stability and radius arguments needed in Bayesian inversion. To address the issue, we propose a new hybrid approximation method for symmetric univariate and bivariate {\alpha}-stable distributions, which is both fast to evaluate, and accurate enough from a practical viewpoint. Then we use approximation method in the numerical implementation of {\alpha}-stable random field priors. We demonstrate the applicability of the constructed priors on selected Bayesian inverse problems which include the deconvolution problem, and the inversion of a function governed by an elliptic partial differential equation. We also demonstrate hierarchical {\alpha}-stable priors in the one-dimensional deconvolution problem. We employ maximum-a-posterior-based estimation at all the numerical examples. To that end, we exploit the limited-memory BFGS and its bounded variant for the estimator.
We use the lens of weak signal asymptotics to study a class of sequentially randomized experiments, including those that arise in solving multi-armed bandit problems. In an experiment with $n$ time steps, we let the mean reward gaps between actions scale to the order $1/\sqrt{n}$ so as to preserve the difficulty of the learning task as $n$ grows. In this regime, we show that the sample paths of a class of sequentially randomized experiments -- adapted to this scaling regime and with arm selection probabilities that vary continuously with state -- converge weakly to a diffusion limit, given as the solution to a stochastic differential equation. The diffusion limit enables us to derive refined, instance-specific characterization of stochastic dynamics, and to obtain several insights on the regret and belief evolution of a number of sequential experiments including Thompson sampling (but not UCB, which does not satisfy our continuity assumption). We show that all sequential experiments whose randomization probabilities have a Lipschitz-continuous dependence on the observed data suffer from sub-optimal regret performance when the reward gaps are relatively large. Conversely, we find that a version of Thompson sampling with an asymptotically uninformative prior variance achieves near-optimal instance-specific regret scaling, including with large reward gaps, but these good regret properties come at the cost of highly unstable posterior beliefs.
Moving horizon estimation (MHE) is a widely studied state estimation approach in several practical applications. In the MHE problem, the state estimates are obtained via the solution of an approximated nonlinear optimization problem. However, this optimization step is known to be computationally complex. Given this limitation, this paper investigates the idea of iteratively preconditioned gradient-descent (IPG) to solve MHE problem with the aim of an improved performance than the existing solution techniques. To our knowledge, the preconditioning technique is used for the first time in this paper to reduce the computational cost and accelerate the crucial optimization step for MHE. The convergence guarantee of the proposed iterative approach for a class of MHE problems is presented. Additionally, sufficient conditions for the MHE problem to be convex are also derived. Finally, the proposed method is implemented on a unicycle localization example. The simulation results demonstrate that the proposed approach can achieve better accuracy with reduced computational costs.
Long-term visual localization is an essential problem in robotics and computer vision, but remains challenging due to the environmental appearance changes caused by lighting and seasons. While many existing works have attempted to solve it by directly learning invariant sparse keypoints and descriptors to match scenes, these approaches still struggle with adverse appearance changes. Recent developments in image transformations such as neural style transfer have emerged as an alternative to address such appearance gaps. In this work, we propose to combine an image transformation network and a feature-learning network to improve long-term localization performance. Given night-to-day image pairs, the image transformation network transforms the night images into day-like conditions prior to feature matching; the feature network learns to detect keypoint locations with their associated descriptor values, which can be passed to a classical pose estimator to compute the relative poses. We conducted various experiments to examine the effectiveness of combining style transfer and feature learning and its training strategy, showing that such a combination greatly improves long-term localization performance.
We study how to train personalized models for different tasks on decentralized devices with limited local data. We propose "Structured Cooperative Learning (SCooL)", in which a cooperation graph across devices is generated by a graphical model prior to automatically coordinate mutual learning between devices. By choosing graphical models enforcing different structures, we can derive a rich class of existing and novel decentralized learning algorithms via variational inference. In particular, we show three instantiations of SCooL that adopt Dirac distribution, stochastic block model (SBM), and attention as the prior generating cooperation graphs. These EM-type algorithms alternate between updating the cooperation graph and cooperative learning of local models. They can automatically capture the cross-task correlations among devices by only monitoring their model updating in order to optimize the cooperation graph. We evaluate SCooL and compare it with existing decentralized learning methods on an extensive set of benchmarks, on which SCooL always achieves the highest accuracy of personalized models and significantly outperforms other baselines on communication efficiency. Our code is available at //github.com/ShuangtongLi/SCooL.
Stochastic optimization has found wide applications in minimizing objective functions in machine learning, which motivates a lot of theoretical studies to understand its practical success. Most of existing studies focus on the convergence of optimization errors, while the generalization analysis of stochastic optimization is much lagging behind. This is especially the case for nonconvex and nonsmooth problems often encountered in practice. In this paper, we initialize a systematic stability and generalization analysis of stochastic optimization on nonconvex and nonsmooth problems. We introduce novel algorithmic stability measures and establish their quantitative connection on the gap between population gradients and empirical gradients, which is then further extended to study the gap between the Moreau envelope of the empirical risk and that of the population risk. To our knowledge, these quantitative connection between stability and generalization in terms of either gradients or Moreau envelopes have not been studied in the literature. We introduce a class of sampling-determined algorithms, for which we develop bounds for three stability measures. Finally, we apply these discussions to derive error bounds for stochastic gradient descent and its adaptive variant, where we show how to achieve an implicit regularization by tuning the step sizes and the number of iterations.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
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