Uncertainty
Linear-Time Probabilistic Solutions of Boundary Value Problems
Krämer, Nicholas, Hennig, Philipp
We propose a fast algorithm for the probabilistic solution of boundary value problems (BVPs), which are ordinary differential equations subject to boundary conditions. In contrast to previous work, we introduce a Gauss--Markov prior and tailor it specifically to BVPs, which allows computing a posterior distribution over the solution in linear time, at a quality and cost comparable to that of well-established, non-probabilistic methods. Our model further delivers uncertainty quantification, mesh refinement, and hyperparameter adaptation. We demonstrate how these practical considerations positively impact the efficiency of the scheme. Altogether, this results in a practically usable probabilistic BVP solver that is (in contrast to non-probabilistic algorithms) natively compatible with other parts of the statistical modelling tool-chain.
Variational Causal Networks: Approximate Bayesian Inference over Causal Structures
Annadani, Yashas, Rothfuss, Jonas, Lacoste, Alexandre, Scherrer, Nino, Goyal, Anirudh, Bengio, Yoshua, Bauer, Stefan
Learning the causal structure that underlies data is a crucial step towards robust real-world decision making. The majority of existing work in causal inference focuses on determining a single directed acyclic graph (DAG) or a Markov equivalence class thereof. However, a crucial aspect to acting intelligently upon the knowledge about causal structure which has been inferred from finite data demands reasoning about its uncertainty. For instance, planning interventions to find out more about the causal mechanisms that govern our data requires quantifying epistemic uncertainty over DAGs. While Bayesian causal inference allows to do so, the posterior over DAGs becomes intractable even for a small number of variables. Aiming to overcome this issue, we propose a form of variational inference over the graphs of Structural Causal Models (SCMs). To this end, we introduce a parametric variational family modelled by an autoregressive distribution over the space of discrete DAGs. Its number of parameters does not grow exponentially with the number of variables and can be tractably learned by maximising an Evidence Lower Bound (ELBO). In our experiments, we demonstrate that the proposed variational posterior is able to provide a good approximation of the true posterior.
Analysis of a Target-Based Actor-Critic Algorithm with Linear Function Approximation
Barakat, Anas, Bianchi, Pascal, Lehmann, Julien
Actor-critic methods integrating target networks have exhibited a stupendous empirical success in deep reinforcement learning. However, a theoretical understanding of the use of target networks in actor-critic methods is largely missing in the literature. In this paper, we bridge this gap between theory and practice by proposing the first theoretical analysis of an online target-based actor-critic algorithm with linear function approximation in the discounted reward setting. Our algorithm uses three different timescales: one for the actor and two for the critic. Instead of using the standard single timescale temporal difference (TD) learning algorithm as a critic, we use a two timescales target-based version of TD learning closely inspired from practical actor-critic algorithms implementing target networks. First, we establish asymptotic convergence results for both the critic and the actor under Markovian sampling. Then, we provide a finite-time analysis showing the impact of incorporating a target network into actor-critic methods.
Improving Bridge estimators via $f$-GAN
Bridge sampling is a powerful Monte Carlo method for estimating ratios of normalizing constants. Various methods have been introduced to improve its efficiency. These methods aim to increase the overlap between the densities by applying appropriate transformations to them without changing their normalizing constants. In this paper, we first give a new estimator of the asymptotic relative mean square error (RMSE) of the optimal Bridge estimator by equivalently estimating an $f$-divergence between the two densities. We then utilize this framework and propose $f$-GAN-Bridge estimator ($f$-GB) based on a bijective transformation that maps one density to the other. Such transformation is chosen to minimize a specific $f$-divergence between them using an $f$-GAN \citep{nowozin2016f}. We show it is equivalent to minimizing the asymptotic RMSE of the optimal Bridge estimator with respect to the densities. In other words, $f$-GB is optimal in the sense that asymptotically, it can achieve an RMSE lower than that achieved by Bridge estimators based on any transformed density within the class of densities generated by the candidate transformations. Numerical experiments show that $f$-GB outperforms existing methods in simulated and real-world examples. In addition, we discuss how Bridge estimators naturally arise from the problem of $f$-divergence estimation.
Marginalising over Stationary Kernels with Bayesian Quadrature
Hamid, Saad, Schulze, Sebastian, Osborne, Michael A., Roberts, Stephen J.
Marginalising over families of Gaussian Process kernels produces flexible model classes with well-calibrated uncertainty estimates. Existing approaches require likelihood evaluations of many kernels, rendering them prohibitively expensive for larger datasets. We propose a Bayesian Quadrature scheme to make this marginalisation more efficient and thereby more practical. Through use of the maximum mean discrepancies between distributions, we define a kernel over kernels that captures invariances between Spectral Mixture (SM) Kernels. Kernel samples are selected by generalising an information-theoretic acquisition function for warped Bayesian Quadrature. We show that our framework achieves more accurate predictions with better calibrated uncertainty than state-of-the-art baselines, especially when given limited (wall-clock) time budgets.
A new soft computing method for integration of expert's knowledge in reinforcement learn-ing problems
Annabestani, Mohsen, Abedi, Ali, Nematollahi, Mohammad Reza, Sis-tani, Mohammad Bagher Naghibi
This paper proposes a novel fuzzy action selection method to leverage human knowledge in reinforcement learning problems. Based on the estimates of the most current action-state values, the proposed fuzzy nonlinear mapping as-signs each member of the action set to its probability of being chosen in the next step. A user tunable parameter is introduced to control the action selection policy, which determines the agent's greedy behavior throughout the learning process. This parameter resembles the role of the temperature parameter in the softmax action selection policy, but its tuning process can be more knowledge-oriented since this parameter reflects the human knowledge into the learning agent by making modifications in the fuzzy rule base. Simulation results indicate that including fuzzy logic within the reinforcement learning in the proposed manner improves the learning algorithm's convergence rate, and provides superior performance.
Deep Bayesian Unsupervised Lifelong Learning
Zhao, Tingting, Wang, Zifeng, Masoomi, Aria, Dy, Jennifer
Lifelong Learning (LL) refers to the ability to continually learn and solve new problems with incremental available information over time while retaining previous knowledge. Much attention has been given lately to Supervised Lifelong Learning (SLL) with a stream of labelled data. In contrast, we focus on resolving challenges in Unsupervised Lifelong Learning (ULL) with streaming unlabelled data when the data distribution and the unknown class labels evolve over time. Bayesian framework is natural to incorporate past knowledge and sequentially update the belief with new data. We develop a fully Bayesian inference framework for ULL with a novel end-to-end Deep Bayesian Unsupervised Lifelong Learning (DBULL) algorithm, which can progressively discover new clusters without forgetting the past with unlabelled data while learning latent representations. To efficiently maintain past knowledge, we develop a novel knowledge preservation mechanism via sufficient statistics of the latent representation for raw data. To detect the potential new clusters on the fly, we develop an automatic cluster discovery and redundancy removal strategy in our inference inspired by Nonparametric Bayesian statistics techniques. We demonstrate the effectiveness of our approach using image and text corpora benchmark datasets in both LL and batch settings.
Post-hoc loss-calibration for Bayesian neural networks
Vadera, Meet P., Ghosh, Soumya, Ng, Kenney, Marlin, Benjamin M.
Bayesian decision theory provides an elegant framework for acting optimally under uncertainty when tractable posterior distributions are available. Modern Bayesian models, however, typically involve intractable posteriors that are approximated with, potentially crude, surrogates. This difficulty has engendered loss-calibrated techniques that aim to learn posterior approximations that favor high-utility decisions. In this paper, focusing on Bayesian neural networks, we develop methods for correcting approximate posterior predictive distributions encouraging them to prefer high-utility decisions. In contrast to previous work, our approach is agnostic to the choice of the approximate inference algorithm, allows for efficient test time decision making through amortization, and empirically produces higher quality decisions. We demonstrate the effectiveness of our approach through controlled experiments spanning a diversity of tasks and datasets.
D2C: Diffusion-Denoising Models for Few-shot Conditional Generation
Sinha, Abhishek, Song, Jiaming, Meng, Chenlin, Ermon, Stefano
Conditional generative models of high-dimensional images have many applications, but supervision signals from conditions to images can be expensive to acquire. This paper describes Diffusion-Decoding models with Contrastive representations (D2C), a paradigm for training unconditional variational autoencoders (VAEs) for few-shot conditional image generation. D2C uses a learned diffusion-based prior over the latent representations to improve generation and contrastive self-supervised learning to improve representation quality. D2C can adapt to novel generation tasks conditioned on labels or manipulation constraints, by learning from as few as 100 labeled examples. On conditional generation from new labels, D2C achieves superior performance over state-of-the-art VAEs and diffusion models. On conditional image manipulation, D2C generations are two orders of magnitude faster to produce over StyleGAN2 ones and are preferred by 50% - 60% of the human evaluators in a double-blind study.
Doubly Non-Central Beta Matrix Factorization for DNA Methylation Data
Schein, Aaron, Nagulpally, Anjali, Wallach, Hanna, Flaherty, Patrick
We present a new non-negative matrix factorization model for $(0,1)$ bounded-support data based on the doubly non-central beta (DNCB) distribution, a generalization of the beta distribution. The expressiveness of the DNCB distribution is particularly useful for modeling DNA methylation datasets, which are typically highly dispersed and multi-modal; however, the model structure is sufficiently general that it can be adapted to many other domains where latent representations of $(0,1)$ bounded-support data are of interest. Although the DNCB distribution lacks a closed-form conjugate prior, several augmentations let us derive an efficient posterior inference algorithm composed entirely of analytic updates. Our model improves out-of-sample predictive performance on both real and synthetic DNA methylation datasets over state-of-the-art methods in bioinformatics. In addition, our model yields meaningful latent representations that accord with existing biological knowledge.