Bayesian methods have become a popular way to incorporate prior knowledge and a notion of uncertainty into machine learning models. At the same time, the complexity of modern machine learning makes it challenging to comprehend a model's reasoning process, let alone express specific prior assumptions in a rigorous manner. While primarily interested in the former issue, recent developments intransparent machine learning could also broaden the range of prior information that we can provide to complex Bayesian models. Inspired by the idea of self-explaining models, we introduce a corresponding concept for variational GaussianProcesses. On the one hand, our contribution improves transparency for these types of models. More importantly though, our proposed self-explaining variational posterior distribution allows to incorporate both general prior knowledge about a target function as a whole and prior knowledge about the contribution of individual features.
Normalizing flows are a popular class of models for approximating probability distributions. However, their invertible nature limits their ability to model target distributions with a complex topological structure, such as Boltzmann distributions. Several procedures have been proposed to solve this problem but many of them sacrifice invertibility and, thereby, tractability of the log-likelihood as well as other desirable properties. To address these limitations, we introduce a base distribution for normalizing flows based on learned rejection sampling, allowing the resulting normalizing flow to model complex topologies without giving up bijectivity. Furthermore, we develop suitable learning algorithms using both maximizing the log-likelihood and the optimization of the reverse Kullback-Leibler divergence, and apply them to various sample problems, i.e.\ approximating 2D densities, density estimation of tabular data, image generation, and modeling Boltzmann distributions. In these experiments our method is competitive with or outperforms the baselines.
Multi-task learning requires accurate identification of the correlations between tasks. In real-world time-series, tasks are rarely perfectly temporally aligned; traditional multi-task models do not account for this and subsequent errors in correlation estimation will result in poor predictive performance and uncertainty quantification. We introduce a method that automatically accounts for temporal misalignment in a unified generative model that improves predictive performance. Our method uses Gaussian processes (GPs) to model the correlations both within and between the tasks. Building on the previous work by Kazlauskaiteet al. [2019], we include a separate monotonic warp of the input data to model temporal misalignment. In contrast to previous work, we formulate a lower bound that accounts for uncertainty in both the estimates of the warping process and the underlying functions. Also, our new take on a monotonic stochastic process, with efficient path-wise sampling for the warp functions, allows us to perform full Bayesian inference in the model rather than MAP estimates. Missing data experiments, on synthetic and real time-series, demonstrate the advantages of accounting for misalignments (vs standard unaligned method) as well as modelling the uncertainty in the warping process(vs baseline MAP alignment approach).
Bayesian inference provides a framework to combine an arbitrary number of model components with shared parameters, allowing joint uncertainty estimation and the use of all available data sources. However, misspecification of any part of the model might propagate to all other parts and lead to unsatisfactory results. Cut distributions have been proposed as a remedy, where the information is prevented from flowing along certain directions. We consider cut distributions from an asymptotic perspective, find the equivalent of the Laplace approximation, and notice a lack of frequentist coverage for the associate credible regions. We propose algorithms based on the Posterior Bootstrap that deliver credible regions with the nominal frequentist asymptotic coverage. The algorithms involve numerical optimization programs that can be performed fully in parallel. The results and methods are illustrated in various settings, such as causal inference with propensity scores and epidemiological studies.
Structured latent variables allow incorporating meaningful prior knowledge into deep learning models. However, learning with such variables remains challenging because of their discrete nature. Nowadays, the standard learning approach is to define a latent variable as a perturbed algorithm output and to use a differentiable surrogate for training. In general, the surrogate puts additional constraints on the model and inevitably leads to biased gradients. To alleviate these shortcomings, we extend the Gumbel-Max trick to define distributions over structured domains. We avoid the differentiable surrogates by leveraging the score function estimators for optimization. In particular, we highlight a family of recursive algorithms with a common feature we call stochastic invariant. The feature allows us to construct reliable gradient estimates and control variates without additional constraints on the model. In our experiments, we consider various structured latent variable models and achieve results competitive with relaxation-based counterparts.
Partial observations of continuous time-series dynamics at arbitrary time stamps exist in many disciplines. Fitting this type of data using statistical models with continuous dynamics is not only promising at an intuitive level but also has practical benefits, including the ability to generate continuous trajectories and to perform inference on previously unseen time stamps. Despite exciting progress in this area, the existing models still face challenges in terms of their representational power and the quality of their variational approximations. We tackle these challenges with continuous latent process flows (CLPF), a principled architecture decoding continuous latent processes into continuous observable processes using a time-dependent normalizing flow driven by a stochastic differential equation. To optimize our model using maximum likelihood, we propose a novel piecewise construction of a variational posterior process and derive the corresponding variational lower bound using trajectory re-weighting. Our ablation studies demonstrate the effectiveness of our contributions in various inference tasks on irregular time grids. Comparisons to state-of-the-art baselines show our model's favourable performance on both synthetic and real-world time-series data.
In data analysis problems where we are not able to rely on distributional assumptions, what types of inference guarantees can still be obtained? Many popular methods, such as holdout methods, cross-validation methods, and conformal prediction, are able to provide distribution-free guarantees for predictive inference, but the problem of providing inference for the underlying regression function (for example, inference on the conditional mean $\mathbb{E}[Y|X]$) is more challenging. In the setting where the features $X$ are continuously distributed, recent work has established that any confidence interval for $\mathbb{E}[Y|X]$ must have non-vanishing width, even as sample size tends to infinity. At the other extreme, if $X$ takes only a small number of possible values, then inference on $\mathbb{E}[Y|X]$ is trivial to achieve. In this work, we study the problem in settings in between these two extremes. We find that there are several distinct regimes in between the finite setting and the continuous setting, where vanishing-width confidence intervals are achievable if and only if the effective support size of the distribution of $X$ is smaller than the square of the sample size.
Approaches based on deep neural networks have achieved striking performance when testing data and training data share similar distribution, but can significantly fail otherwise. Therefore, eliminating the impact of distribution shifts between training and testing data is crucial for building performance-promising deep models. Conventional methods assume either the known heterogeneity of training data (e.g. domain labels) or the approximately equal capacities of different domains. In this paper, we consider a more challenging case where neither of the above assumptions holds. We propose to address this problem by removing the dependencies between features via learning weights for training samples, which helps deep models get rid of spurious correlations and, in turn, concentrate more on the true connection between discriminative features and labels. Extensive experiments clearly demonstrate the effectiveness of our method on multiple distribution generalization benchmarks compared with state-of-the-art counterparts. Through extensive experiments on distribution generalization benchmarks including PACS, VLCS, MNIST-M, and NICO, we show the effectiveness of our method compared with state-of-the-art counterparts.
A comprehensive artificial intelligence system needs to not only perceive the environment with different `senses' (e.g., seeing and hearing) but also infer the world's conditional (or even causal) relations and corresponding uncertainty. The past decade has seen major advances in many perception tasks such as visual object recognition and speech recognition using deep learning models. For higher-level inference, however, probabilistic graphical models with their Bayesian nature are still more powerful and flexible. In recent years, Bayesian deep learning has emerged as a unified probabilistic framework to tightly integrate deep learning and Bayesian models. In this general framework, the perception of text or images using deep learning can boost the performance of higher-level inference and in turn, the feedback from the inference process is able to enhance the perception of text or images. This survey provides a comprehensive introduction to Bayesian deep learning and reviews its recent applications on recommender systems, topic models, control, etc. Besides, we also discuss the relationship and differences between Bayesian deep learning and other related topics such as Bayesian treatment of neural networks.
The Variational Auto-Encoder (VAE) is one of the most used unsupervised machine learning models. But although the default choice of a Gaussian distribution for both the prior and posterior represents a mathematically convenient distribution often leading to competitive results, we show that this parameterization fails to model data with a latent hyperspherical structure. To address this issue we propose using a von Mises-Fisher (vMF) distribution instead, leading to a hyperspherical latent space. Through a series of experiments we show how such a hyperspherical VAE, or $\mathcal{S}$-VAE, is more suitable for capturing data with a hyperspherical latent structure, while outperforming a normal, $\mathcal{N}$-VAE, in low dimensions on other data types.
Interest point descriptors have fueled progress on almost every problem in computer vision. Recent advances in deep neural networks have enabled task-specific learned descriptors that outperform hand-crafted descriptors on many problems. We demonstrate that commonly used metric learning approaches do not optimally leverage the feature hierarchies learned in a Convolutional Neural Network (CNN), especially when applied to the task of geometric feature matching. While a metric loss applied to the deepest layer of a CNN, is often expected to yield ideal features irrespective of the task, in fact the growing receptive field as well as striding effects cause shallower features to be better at high precision matching tasks. We leverage this insight together with explicit supervision at multiple levels of the feature hierarchy for better regularization, to learn more effective descriptors in the context of geometric matching tasks. Further, we propose to use activation maps at different layers of a CNN, as an effective and principled replacement for the multi-resolution image pyramids often used for matching tasks. We propose concrete CNN architectures employing these ideas, and evaluate them on multiple datasets for 2D and 3D geometric matching as well as optical flow, demonstrating state-of-the-art results and generalization across datasets.