Bayesian Inference
DPER: Efficient Parameter Estimation for Randomly Missing Data
Nguyen, Thu, Nguyen-Duy, Khoi Minh, Nguyen, Duy Ho Minh, Nguyen, Binh T., Wade, Bruce Alan
The missing data problem has been broadly studied in the last few decades and has various applications in different areas such as statistics or bioinformatics. Even though many methods have been developed to tackle this challenge, most of those are imputation techniques that require multiple iterations through the data before yielding convergence. In addition, such approaches may introduce extra biases and noises to the estimated parameters. In this work, we propose novel algorithms to find the maximum likelihood estimates (MLEs) for a one-class/multiple-class randomly missing data set under some mild assumptions. As the computation is direct without any imputation, our algorithms do not require multiple iterations through the data, thus promising to be less time-consuming than other methods while maintaining superior estimation performance. We validate these claims by empirical results on various data sets of different sizes and release all codes in a GitHub repository to contribute to the research community related to this problem.
Control-Oriented Model-Based Reinforcement Learning with Implicit Differentiation
Nikishin, Evgenii, Abachi, Romina, Agarwal, Rishabh, Bacon, Pierre-Luc
The shortcomings of maximum likelihood estimation in the context of model-based reinforcement learning have been highlighted by an increasing number of papers. When the model class is misspecified or has a limited representational capacity, model parameters with high likelihood might not necessarily result in high performance of the agent on a downstream control task. To alleviate this problem, we propose an end-to-end approach for model learning which directly optimizes the expected returns using implicit differentiation. We treat a value function that satisfies the Bellman optimality operator induced by the model as an implicit function of model parameters and show how to differentiate the function. We provide theoretical and empirical evidence highlighting the benefits of our approach in the model misspecification regime compared to likelihood-based methods.
Meta-Learning Reliable Priors in the Function Space
Rothfuss, Jonas, Heyn, Dominique, Chen, Jinfan, Krause, Andreas
Meta-Learning promises to enable more data-efficient inference by harnessing previous experience from related learning tasks. While existing meta-learning methods help us to improve the accuracy of our predictions in face of data scarcity, they fail to supply reliable uncertainty estimates, often being grossly overconfident in their predictions. Addressing these shortcomings, we introduce a novel meta-learning framework, called F-PACOH, that treats meta-learned priors as stochastic processes and performs meta-level regularization directly in the function space. This allows us to directly steer the probabilistic predictions of the meta-learner towards high epistemic uncertainty in regions of insufficient meta-training data and, thus, obtain well-calibrated uncertainty estimates. Finally, we showcase how our approach can be integrated with sequential decision making, where reliable uncertainty quantification is imperative. In our benchmark study on meta-learning for Bayesian Optimization (BO), F-PACOH significantly outperforms all other meta-learners and standard baselines. Even in a challenging lifelong BO setting, where optimization tasks arrive one at a time and the meta-learner needs to build up informative prior knowledge incrementally, our proposed method demonstrates strong positive transfer.
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Hierarchical Bayesian Mixture Models for Time Series Using Context Trees as State Space Partitions
Papageorgiou, Ioannis, Kontoyiannis, Ioannis
A general Bayesian framework is introduced for mixture modelling and inference with real-valued time series. At the top level, the state space is partitioned via the choice of a discrete context tree, so that the resulting partition depends on the values of some of the most recent samples. At the bottom level, a different model is associated with each region of the partition. This defines a very rich and flexible class of mixture models, for which we provide algorithms that allow for efficient, exact Bayesian inference. In particular, we show that the maximum a posteriori probability (MAP) model (including the relevant MAP context tree partition) can be precisely identified, along with its exact posterior probability. The utility of this general framework is illustrated in detail when a different autoregressive (AR) model is used in each state-space region, resulting in a mixture-of-AR model class. The performance of the associated algorithmic tools is demonstrated in the problems of model selection and forecasting on both simulated and real-world data, where they are found to provide results as good or better than state-of-the-art methods.
Fisher-Pitman permutation tests based on nonparametric Poisson mixtures with application to single cell genomics
Miao, Zhen, Kong, Weihao, Vinayak, Ramya Korlakai, Sun, Wei, Han, Fang
This paper investigates the theoretical and empirical performance of Fisher-Pitman-type permutation tests for assessing the equality of unknown Poisson mixture distributions. Building on nonparametric maximum likelihood estimators (NPMLEs) of the mixing distribution, these tests are theoretically shown to be able to adapt to complicated unspecified structures of count data and also consistent against their corresponding ANOVA-type alternatives; the latter is a result in parallel to classic claims made by Robinson (Robinson, 1973). The studied methods are then applied to a single-cell RNA-seq data obtained from different cell types from brain samples of autism subjects and healthy controls; empirically, they unveil genes that are differentially expressed between autism and control subjects yet are missed using common tests. For justifying their use, rate optimality of NPMLEs is also established in settings similar to nonparametric Gaussian (Wu and Yang, 2020a) and binomial mixtures (Tian et al., 2017; Vinayak et al., 2019).
Data-driven discovery of interacting particle systems using Gaussian processes
Feng, Jinchao, Ren, Yunxiang, Tang, Sui
Interacting particle or agent systems that display a rich variety of collection motions are ubiquitous in science and engineering. A fundamental and challenging goal is to understand the link between individual interaction rules and collective behaviors. In this paper, we study the data-driven discovery of distance-based interaction laws in second-order interacting particle systems. We propose a learning approach that models the latent interaction kernel functions as Gaussian processes, which can simultaneously fulfill two inference goals: one is the nonparametric inference of interaction kernel function with the pointwise uncertainty quantification, and the other one is the inference of unknown parameters in the non-collective forces of the system. We formulate learning interaction kernel functions as a statistical inverse problem and provide a detailed analysis of recoverability conditions, establishing that a coercivity condition is sufficient for recoverability. We provide a finite-sample analysis, showing that our posterior mean estimator converges at an optimal rate equal to the one in the classical 1-dimensional Kernel Ridge regression. Numerical results on systems that exhibit different collective behaviors demonstrate efficient learning of our approach from scarce noisy trajectory data.
Implicit MLE: Backpropagating Through Discrete Exponential Family Distributions
Niepert, Mathias, Minervini, Pasquale, Franceschi, Luca
Integrating discrete probability distributions and combinatorial optimization problems into neural networks has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable: it only requires the ability to compute the most probable states; and does not rely on smooth relaxations. The framework encompasses several approaches, such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.
Towards a Mathematical Theory of Abstraction
While the utility of well-chosen abstractions for understanding and predicting the behaviour of complex systems is well appreciated, precisely what an abstraction $\textit{is}$ has so far has largely eluded mathematical formalization. In this paper, we aim to set out a mathematical theory of abstraction. We provide a precise characterisation of what an abstraction is and, perhaps more importantly, suggest how abstractions can be learnt directly from data both for static datasets and for dynamical systems. We define an abstraction to be a small set of `summaries' of a system which can be used to answer a set of queries about the system or its behaviour. The difference between the ground truth behaviour of the system on the queries and the behaviour of the system predicted only by the abstraction provides a measure of the `leakiness' of the abstraction which can be used as a loss function to directly learn abstractions from data. Our approach can be considered a generalization of classical statistics where we are not interested in reconstructing `the data' in full, but are instead only concerned with answering a set of arbitrary queries about the data. While highly theoretical, our results have deep implications for statistical inference and machine learning and could be used to develop explicit methods for learning precise kinds of abstractions directly from data.
Semi-supervised Conditional Density Estimation for Imputation and Classification of Incomplete Instances
Incomplete instances with various missing attributes in many real-world scenes have brought challenges to the classification task. There are some missing values imputation methods to fill the missing values with substitute values before classification. However, the separation between imputation and classification may lead to inferior performance since label information are ignored during imputation. Moreover, these imputation methods tend to initialize these missing values with strong prior assumptions, while the unreliability of such initialization is rarely considered. To tackle these problems, a novel semi-supervised conditional normalizing flow (SSCFlow) is proposed in this paper. SSCFlow explicitly utilizes the observed labels to facilitate the imputation and classification simultaneously by employing a semi-supervised algorithm to estimate the conditional probability density of missing values. Moreover, SSCFlow takes the initialized missing values as corrupted initial imputation and iteratively reconstructs their latent representations with an overcomplete denoising autoencoder to approximate the true conditional probability density of missing values. Experiments have been conducted with real-world datasets to demonstrate the robustness and efficiency of the proposed algorithm.