Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which allows one to cope with the computational complexity and also interpret and communicate the obtained knowledge. In the thesis, we consider two different types of PGMs: Bayesian networks (BNs) which are static, and continuous time Bayesian networks which, as the name suggests, have a temporal component. We are interested in recovering their true structure, which is the first step in learning any PGM. This is a challenging task, which is interesting in itself from the causal point of view, for the purposes of interpretation of the model and the decision-making process. All approaches for structure learning in the thesis are united by the same idea of maximum likelihood estimation with the LASSO penalty. The problem of structure learning is reduced to the problem of finding non-zero coefficients in the LASSO estimator for a generalized linear model. In the case of CTBNs, we consider the problem both for complete and incomplete data. We support the theoretical results with experiments.
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Various contrastive learning approaches have been proposed in recent years and achieve significant empirical success. While effective and prevalent, contrastive learning has been less explored for time series data. A key component of contrastive learning is to select appropriate augmentations imposing some priors to construct feasible positive samples, such that an encoder can be trained to learn robust and discriminative representations. Unlike image and language domains where ``desired'' augmented samples can be generated with the rule of thumb guided by prefabricated human priors, the ad-hoc manual selection of time series augmentations is hindered by their diverse and human-unrecognizable temporal structures. How to find the desired augmentations of time series data that are meaningful for given contrastive learning tasks and datasets remains an open question. In this work, we address the problem by encouraging both high \textit{fidelity} and \textit{variety} based upon information theory. A theoretical analysis leads to the criteria for selecting feasible data augmentations. On top of that, we propose a new contrastive learning approach with information-aware augmentations, InfoTS, that adaptively selects optimal augmentations for time series representation learning. Experiments on various datasets show highly competitive performance with up to 12.0\% reduction in MSE on forecasting tasks and up to 3.7\% relative improvement in accuracy on classification tasks over the leading baselines.
The concepts of sparsity, and regularised estimation, have proven useful in many high-dimensional statistical applications. Dynamic factor models (DFMs) provide a parsimonious approach to modelling high-dimensional time series, however, it is often hard to interpret the meaning of the latent factors. This paper formally introduces a class of sparse DFMs whereby the loading matrices are constrained to have few non-zero entries, thus increasing interpretability of factors. We present a regularised M-estimator for the model parameters, and construct an efficient expectation maximisation algorithm to enable estimation. Synthetic experiments demonstrate consistency in terms of estimating the loading structure, and superior predictive performance where a low-rank factor structure may be appropriate. The utility of the method is further illustrated in an application forecasting electricity consumption across a large set of smart meters.
We review Quasi Maximum Likelihood estimation of factor models for high-dimensional panels of time series. We consider two cases: (1) estimation when no dynamic model for the factors is specified (Bai and Li, 2016); (2) estimation based on the Kalman smoother and the Expectation Maximization algorithm thus allowing to model explicitly the factor dynamics (Doz et al., 2012). Our interest is in approximate factor models, i.e., when we allow for the idiosyncratic components to be mildly cross-sectionally, as well as serially, correlated. Although such setting apparently makes estimation harder, we show, in fact, that factor models do not suffer of the curse of dimensionality problem, but instead they enjoy a blessing of dimensionality property. In particular, we show that if the cross-sectional dimension of the data, $N$, grows to infinity, then: (i) identification of the model is still possible, (ii) the mis-specification error due to the use of an exact factor model log-likelihood vanishes. Moreover, if we let also the sample size, $T$, grow to infinity, we can also consistently estimate all parameters of the model and make inference. The same is true for estimation of the latent factors which can be carried out by weighted least-squares, linear projection, or Kalman filtering/smoothing. We also compare the approaches presented with: Principal Component analysis and the classical, fixed $N$, exact Maximum Likelihood approach. We conclude with a discussion on efficiency of the considered estimators.
Autoencoders have demonstrated remarkable success in learning low-dimensional latent features of high-dimensional data across various applications. Assuming that data are sampled near a low-dimensional manifold, we employ chart autoencoders, which encode data into low-dimensional latent features on a collection of charts, preserving the topology and geometry of the data manifold. Our paper establishes statistical guarantees on the generalization error of chart autoencoders, and we demonstrate their denoising capabilities by considering $n$ noisy training samples, along with their noise-free counterparts, on a $d$-dimensional manifold. By training autoencoders, we show that chart autoencoders can effectively denoise the input data with normal noise. We prove that, under proper network architectures, chart autoencoders achieve a squared generalization error in the order of $\displaystyle n^{-\frac{2}{d+2}}\log^4 n$, which depends on the intrinsic dimension of the manifold and only weakly depends on the ambient dimension and noise level. We further extend our theory on data with noise containing both normal and tangential components, where chart autoencoders still exhibit a denoising effect for the normal component. As a special case, our theory also applies to classical autoencoders, as long as the data manifold has a global parametrization. Our results provide a solid theoretical foundation for the effectiveness of autoencoders, which is further validated through several numerical experiments.
We consider the problem of state estimation from $m$ linear measurements, where the state $u$ to recover is an element of the manifold $\mathcal{M}$ of solutions of a parameter-dependent equation. The state is estimated using a prior knowledge on $\mathcal{M}$ coming from model order reduction. Variational approaches based on linear approximation of $\mathcal{M}$, such as PBDW, yields a recovery error limited by the Kolmogorov $m$-width of $\mathcal{M}$. To overcome this issue, piecewise-affine approximations of $\mathcal{M}$ have also be considered, that consist in using a library of linear spaces among which one is selected by minimizing some distance to $\mathcal{M}$. In this paper, we propose a state estimation method relying on dictionary-based model reduction, where a space is selected from a library generated by a dictionary of snapshots, using a distance to the manifold. The selection is performed among a set of candidate spaces obtained from the path of a $\ell_1$-regularized least-squares problem. Then, in the framework of parameter-dependent operator equations (or PDEs) with affine parameterizations, we provide an efficient offline-online decomposition based on randomized linear algebra, that ensures efficient and stable computations while preserving theoretical guarantees.
In survival contexts, substantial literature exists on estimating optimal treatment regimes, where treatments are assigned based on personal characteristics for the purpose of maximizing the survival probability. These methods assume that a set of covariates is sufficient to deconfound the treatment-outcome relationship. Nevertheless, the assumption can be limiting in observational studies or randomized trials in which noncompliance occurs. Thus, we advance a novel approach for estimating the optimal treatment regime when certain confounders are not observable and a binary instrumental variable is available. Specifically, via a binary instrumental variable, we propose two semiparametric estimators for the optimal treatment regime, one of which possesses the desirable property of double robustness, by maximizing Kaplan-Meier-like estimators within a pre-defined class of regimes. Because the Kaplan-Meier-like estimators are jagged, we incorporate kernel smoothing methods to enhance their performance. Under appropriate regularity conditions, the asymptotic properties are rigorously established. Furthermore, the finite sample performance is assessed through simulation studies. We exemplify our method using data from the National Cancer Institute's (NCI) prostate, lung, colorectal, and ovarian cancer screening trial.
The Wasserstein distance between mixing measures has come to occupy a central place in the statistical analysis of mixture models. This work proposes a new canonical interpretation of this distance and provides tools to perform inference on the Wasserstein distance between mixing measures in topic models. We consider the general setting of an identifiable mixture model consisting of mixtures of distributions from a set $\mathcal{A}$ equipped with an arbitrary metric $d$, and show that the Wasserstein distance between mixing measures is uniquely characterized as the most discriminative convex extension of the metric $d$ to the set of mixtures of elements of $\mathcal{A}$. The Wasserstein distance between mixing measures has been widely used in the study of such models, but without axiomatic justification. Our results establish this metric to be a canonical choice. Specializing our results to topic models, we consider estimation and inference of this distance. Though upper bounds for its estimation have been recently established elsewhere, we prove the first minimax lower bounds for the estimation of the Wasserstein distance in topic models. We also establish fully data-driven inferential tools for the Wasserstein distance in the topic model context. Our results apply to potentially sparse mixtures of high-dimensional discrete probability distributions. These results allow us to obtain the first asymptotically valid confidence intervals for the Wasserstein distance in topic models.
Physics-based covariance models provide a systematic way to construct covariance models that are consistent with the underlying physical laws in Gaussian process analysis. The unknown parameters in the covariance models can be estimated using maximum likelihood estimation, but direct construction of the covariance matrix and classical strategies of computing with it requires $n$ physical model runs, $n^2$ storage complexity, and $n^3$ computational complexity. To address such challenges, we propose to approximate the discretized covariance function using hierarchical matrices. By utilizing randomized range sketching for individual off-diagonal blocks, the construction process of the hierarchical covariance approximation requires $O(\log{n})$ physical model applications and the maximum likelihood computations require $O(n\log^2{n})$ effort per iteration. We propose a new approach to compute exactly the trace of products of hierarchical matrices which results in the expected Fischer information matrix being computable in $O(n\log^2{n})$ as well. The construction is totally matrix-free and the derivatives of the covariance matrix can then be approximated in the same hierarchical structure by differentiating the whole process. Numerical results are provided to demonstrate the effectiveness, accuracy, and efficiency of the proposed method for parameter estimations and uncertainty quantification.
We consider the problem of discovering $K$ related Gaussian directed acyclic graphs (DAGs), where the involved graph structures share a consistent causal order and sparse unions of supports. Under the multi-task learning setting, we propose a $l_1/l_2$-regularized maximum likelihood estimator (MLE) for learning $K$ linear structural equation models. We theoretically show that the joint estimator, by leveraging data across related tasks, can achieve a better sample complexity for recovering the causal order (or topological order) than separate estimations. Moreover, the joint estimator is able to recover non-identifiable DAGs, by estimating them together with some identifiable DAGs. Lastly, our analysis also shows the consistency of union support recovery of the structures. To allow practical implementation, we design a continuous optimization problem whose optimizer is the same as the joint estimator and can be approximated efficiently by an iterative algorithm. We validate the theoretical analysis and the effectiveness of the joint estimator in experiments.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
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