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We introduce a suite of new particle-based algorithms for sampling on constrained domains which are entirely learning rate free. Our approach leverages coin betting ideas from convex optimisation, and the viewpoint of constrained sampling as a mirrored optimisation problem on the space of probability measures. Based on this viewpoint, we also introduce a unifying framework for several existing constrained sampling algorithms, including mirrored Langevin dynamics and mirrored Stein variational gradient descent. We demonstrate the performance of our algorithms on a range of numerical examples, including sampling from targets on the simplex, sampling with fairness constraints, and constrained sampling problems in post-selection inference. Our results indicate that our algorithms achieve competitive performance with existing constrained sampling methods, without the need to tune any hyperparameters.

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Population-based structural health monitoring (PBSHM) aims to share valuable information among members of a population, such as normal- and damage-condition data, to improve inferences regarding the health states of the members. Even when the population is comprised of nominally-identical structures, benign variations among the members will exist as a result of slight differences in material properties, geometry, boundary conditions, or environmental effects (e.g., temperature changes). These discrepancies can affect modal properties and present as changes in the characteristics of the resonance peaks of the frequency response function (FRF). Many SHM strategies depend on monitoring the dynamic properties of structures, so benign variations can be challenging for the practical implementation of these systems. Another common challenge with vibration-based SHM is data loss, which may result from transmission issues, sensor failure, a sample-rate mismatch between sensors, and other causes. Missing data in the time domain will result in decreased resolution in the frequency domain, which can impair dynamic characterisation. The hierarchical Bayesian approach provides a useful modelling structure for PBSHM, because statistical distributions at the population and individual (or domain) level are learnt simultaneously to bolster statistical strength among the parameters. As a result, variance is reduced among the parameter estimates, particularly when data are limited. In this paper, combined probabilistic FRF models are developed for a small population of nominally-identical helicopter blades under varying temperature conditions, using a hierarchical Bayesian structure. These models address critical challenges in SHM, by accommodating benign variations that present as differences in the underlying dynamics, while also considering (and utilising), the similarities among the blades.

We study optimality for the safety-constrained Markov decision process which is the underlying framework for safe reinforcement learning. Specifically, we consider a constrained Markov decision process (with finite states and finite actions) where the goal of the decision maker is to reach a target set while avoiding an unsafe set(s) with certain probabilistic guarantees. Therefore the underlying Markov chain for any control policy will be multichain since by definition there exists a target set and an unsafe set. The decision maker also has to be optimal (with respect to a cost function) while navigating to the target set. This gives rise to a multi-objective optimization problem. We highlight the fact that Bellman's principle of optimality may not hold for constrained Markov decision problems with an underlying multichain structure (as shown by the counterexample due to Haviv. We resolve the counterexample by formulating the aforementioned multi-objective optimization problem as a zero-sum game and thereafter construct an asynchronous value iteration scheme for the Lagrangian (similar to Shapley's algorithm). Finally, we consider the reinforcement learning problem for the same and construct a modified $Q$-learning algorithm for learning the Lagrangian from data. We also provide a lower bound on the number of iterations required for learning the Lagrangian and corresponding error bounds.

We propose a general framework for obtaining probabilistic solutions to PDE-based inverse problems. Bayesian methods are attractive for uncertainty quantification but assume knowledge of the likelihood model or data generation process. This assumption is difficult to justify in many inverse problems, where the specification of the data generation process is not obvious. We adopt a Gibbs posterior framework that directly posits a regularized variational problem on the space of probability distributions of the parameter. We propose a novel model comparison framework that evaluates the optimality of a given loss based on its ''predictive performance''. We provide cross-validation procedures to calibrate the regularization parameter of the variational objective and compare multiple loss functions. Some novel theoretical properties of Gibbs posteriors are also presented. We illustrate the utility of our framework via a simulated example, motivated by dispersion-based wave models used to characterize arterial vessels in ultrasound vibrometry.

Bayesian deep learning approaches assume model parameters to be latent random variables and infer posterior distributions to quantify uncertainty, increase safety and trust, and prevent overconfident and unpredictable behavior. However, weight-space priors are model-specific, can be difficult to interpret and are hard to specify. Instead, we apply a Dirichlet prior in predictive space and perform approximate function-space variational inference. To this end, we interpret conventional categorical predictions from stochastic neural network classifiers as samples from an implicit Dirichlet distribution. By adapting the inference, the same function-space prior can be combined with different models without affecting model architecture or size. We illustrate the flexibility and efficacy of such a prior with toy experiments and demonstrate scalability, improved uncertainty quantification and adversarial robustness with large-scale image classification experiments.

In this paper, we provide a novel framework for the analysis of generalization error of first-order optimization algorithms for statistical learning when the gradient can only be accessed through partial observations given by an oracle. Our analysis relies on the regularity of the gradient w.r.t. the data samples, and allows to derive near matching upper and lower bounds for the generalization error of multiple learning problems, including supervised learning, transfer learning, robust learning, distributed learning and communication efficient learning using gradient quantization. These results hold for smooth and strongly-convex optimization problems, as well as smooth non-convex optimization problems verifying a Polyak-Lojasiewicz assumption. In particular, our upper and lower bounds depend on a novel quantity that extends the notion of conditional standard deviation, and is a measure of the extent to which the gradient can be approximated by having access to the oracle. As a consequence, our analysis provides a precise meaning to the intuition that optimization of the statistical learning objective is as hard as the estimation of its gradient. Finally, we show that, in the case of standard supervised learning, mini-batch gradient descent with increasing batch sizes and a warm start can reach a generalization error that is optimal up to a multiplicative factor, thus motivating the use of this optimization scheme in practical applications.

Sequential Bayesian inference can be used for continual learning to prevent catastrophic forgetting of past tasks and provide an informative prior when learning new tasks. We revisit sequential Bayesian inference and test whether having access to the true posterior is guaranteed to prevent catastrophic forgetting in Bayesian neural networks. To do this we perform sequential Bayesian inference using Hamiltonian Monte Carlo. We propagate the posterior as a prior for new tasks by fitting a density estimator on Hamiltonian Monte Carlo samples. We find that this approach fails to prevent catastrophic forgetting demonstrating the difficulty in performing sequential Bayesian inference in neural networks. From there we study simple analytical examples of sequential Bayesian inference and CL and highlight the issue of model misspecification which can lead to sub-optimal continual learning performance despite exact inference. Furthermore, we discuss how task data imbalances can cause forgetting. From these limitations, we argue that we need probabilistic models of the continual learning generative process rather than relying on sequential Bayesian inference over Bayesian neural network weights. In this vein, we also propose a simple baseline called Prototypical Bayesian Continual Learning, which is competitive with state-of-the-art Bayesian continual learning methods on class incremental continual learning vision benchmarks.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.

Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. For years, great progress has been achieved. This paper presents the first review for recent advances in domain generalization. First, we provide a formal definition of domain generalization and discuss several related fields. Next, we thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. Then, we categorize recent algorithms into three classes and present them in detail: data manipulation, representation learning, and learning strategy, each of which contains several popular algorithms. Third, we introduce the commonly used datasets and applications. Finally, we summarize existing literature and present some potential research topics for the future.

Deep neural networks have achieved remarkable success in computer vision tasks. Existing neural networks mainly operate in the spatial domain with fixed input sizes. For practical applications, images are usually large and have to be downsampled to the predetermined input size of neural networks. Even though the downsampling operations reduce computation and the required communication bandwidth, it removes both redundant and salient information obliviously, which results in accuracy degradation. Inspired by digital signal processing theories, we analyze the spectral bias from the frequency perspective and propose a learning-based frequency selection method to identify the trivial frequency components which can be removed without accuracy loss. The proposed method of learning in the frequency domain leverages identical structures of the well-known neural networks, such as ResNet-50, MobileNetV2, and Mask R-CNN, while accepting the frequency-domain information as the input. Experiment results show that learning in the frequency domain with static channel selection can achieve higher accuracy than the conventional spatial downsampling approach and meanwhile further reduce the input data size. Specifically for ImageNet classification with the same input size, the proposed method achieves 1.41% and 0.66% top-1 accuracy improvements on ResNet-50 and MobileNetV2, respectively. Even with half input size, the proposed method still improves the top-1 accuracy on ResNet-50 by 1%. In addition, we observe a 0.8% average precision improvement on Mask R-CNN for instance segmentation on the COCO dataset.

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