Graphical models, used to express conditional dependence between random variables observed at various nodes, are used extensively in many fields such as genetics, neuroscience, and social network analysis. While most current statistical methods for estimating graphical models focus on scalar data, there is interest in estimating analogous dependence structures when the data observed at each node are functional, such as signals or images. In this paper, we propose a fully Bayesian regularization scheme for estimating functional graphical models. We first consider a direct Bayesian analog of the functional graphical lasso proposed by Qiao et al. (2019). We then propose a regularization strategy via the graphical horseshoe. We compare these approaches via simulation study and apply our proposed functional graphical horseshoe to two motivating applications, electroencephalography data for comparing brain activation between an alcoholic group and controls, as well as changes in structural connectivity in the presence of traumatic brain injury (TBI). Our results yield insight into how the brain attempts to compensate for disconnected networks after injury.
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Mixtures of regression are a powerful class of models for regression learning with respect to a highly uncertain and heterogeneous response variable of interest. In addition to being a rich predictive model for the response given some covariates, the parameters in this model class provide useful information about the heterogeneity in the data population, which is represented by the conditional distributions for the response given the covariates associated with a number of distinct but latent subpopulations. In this paper, we investigate conditions of strong identifiability, rates of convergence for conditional density and parameter estimation, and the Bayesian posterior contraction behavior arising in finite mixture of regression models, under exact-fitted and over-fitted settings and when the number of components is unknown. This theory is applicable to common choices of link functions and families of conditional distributions employed by practitioners. We provide simulation studies and data illustrations, which shed some light on the parameter learning behavior found in several popular regression mixture models reported in the literature.
This paper presents an algorithm to solve the Soft k-Means problem globally. Unlike Fuzzy c-Means, Soft k-Means (SkM) has a matrix factorization-type objective and has been shown to have a close relation with the popular probability decomposition-type clustering methods, e.g., Left Stochastic Clustering (LSC). Though some work has been done for solving the Soft k-Means problem, they usually use an alternating minimization scheme or the projected gradient descent method, which cannot guarantee global optimality since the non-convexity of SkM. In this paper, we present a sufficient condition for a feasible solution of Soft k-Means problem to be globally optimal and show the output of the proposed algorithm satisfies it. Moreover, for the Soft k-Means problem, we provide interesting discussions on stability, solutions non-uniqueness, and connection with LSC. Then, a new model, named Minimal Volume Soft k-Means (MVSkM), is proposed to address the solutions non-uniqueness issue. Finally, experimental results support our theoretical results.
Missing data can lead to inefficiencies and biases in analyses, in particular when data are missing not at random (MNAR). It is thus vital to understand and correctly identify the missing data mechanism. Recovering missing values through a follow up sample allows researchers to conduct hypothesis tests for MNAR, which are not possible when using only the original incomplete data. Investigating how properties of these tests are affected by the follow up sample design is little explored in the literature. Our results provide comprehensive insight into the properties of one such test, based on the commonly used selection model framework. We determine conditions for recovery samples that allow the test to be applied appropriately and effectively, i.e. with known Type I error rates and optimized with respect to power. We thus provide an integrated framework for testing for the presence of MNAR and designing follow up samples in an efficient cost-effective way. The performance of our methodology is evaluated through simulation studies as well as on a real data sample.
In social, medical, and behavioral research we often encounter datasets with a multilevel structure and multiple correlated dependent variables. These data are frequently collected from a study population that distinguishes several subpopulations with different (i.e. heterogeneous) effects of an intervention. Despite the frequent occurrence of such data, methods to analyze them are less common and researchers often resort to either ignoring the multilevel and/or heterogeneous structure, analyzing only a single dependent variable, or a combination of these. These analysis strategies are suboptimal: Ignoring multilevel structures inflates Type I error rates, while neglecting the multivariate or heterogeneous structure masks detailed insights. To analyze such data comprehensively, the current paper presents a novel Bayesian multilevel multivariate logistic regression model. The clustered structure of multilevel data is taken into account, such that posterior inferences can be made with accurate error rates. Further, the model shares information between different subpopulations in the estimation of average and conditional average multivariate treatment effects. To facilitate interpretation, multivariate logistic regression parameters are transformed to posterior success probabilities and differences between them. A numerical evaluation compared our framework to less comprehensive alternatives and highlighted the need to model the multilevel structure: Treatment comparisons based on the multilevel model had targeted Type I error rates, while single-level alternatives resulted in inflated Type I errors. A re-analysis of the Third International Stroke Trial data illustrated how incorporating a multilevel structure, assessing treatment heterogeneity, and combining dependent variables contributed to an in-depth understanding of treatment effects.
Prototype-based interpretability methods provide intuitive explanations of model prediction by comparing samples to a reference set of memorized exemplars or typical representatives in terms of similarity. In the field of sequential data modeling, similarity calculations of prototypes are usually based on encoded representation vectors. However, due to highly recursive functions, there is usually a non-negligible disparity between the prototype-based explanations and the original input. In this work, we propose a Self-Explaining Selective Model (SESM) that uses a linear combination of prototypical concepts to explain its own predictions. The model employs the idea of case-based reasoning by selecting sub-sequences of the input that mostly activate different concepts as prototypical parts, which users can compare to sub-sequences selected from different example inputs to understand model decisions. For better interpretability, we design multiple constraints including diversity, stability, and locality as training objectives. Extensive experiments in different domains demonstrate that our method exhibits promising interpretability and competitive accuracy.
Brain extraction and registration are important preprocessing steps in neuroimaging data analysis, where the goal is to extract the brain regions from MRI scans (i.e., extraction step) and align them with a target brain image (i.e., registration step). Conventional research mainly focuses on developing methods for the extraction and registration tasks separately under supervised settings. The performance of these methods highly depends on the amount of training samples and visual inspections performed by experts for error correction. However, in many medical studies, collecting voxel-level labels and conducting manual quality control in high-dimensional neuroimages (e.g., 3D MRI) are very expensive and time-consuming. Moreover, brain extraction and registration are highly related tasks in neuroimaging data and should be solved collectively. In this paper, we study the problem of unsupervised collective extraction and registration in neuroimaging data. We propose a unified end-to-end framework, called ERNet (Extraction-Registration Network), to jointly optimize the extraction and registration tasks, allowing feedback between them. Specifically, we use a pair of multi-stage extraction and registration modules to learn the extraction mask and transformation, where the extraction network improves the extraction accuracy incrementally and the registration network successively warps the extracted image until it is well-aligned with the target image. Experiment results on real-world datasets show that our proposed method can effectively improve the performance on extraction and registration tasks in neuroimaging data. Our code and data can be found at //github.com/ERNetERNet/ERNet
Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference -- other unobserved quantities that are not of direct interest (e.g., the full causal model) ought to be marginalized out in this process and contribute to our epistemic uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, which jointly infers a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient, nonlinear additive noise models, which we model using Gaussian processes. We sequentially design experiments that are maximally informative about our target causal query, collect the corresponding interventional data, and update our beliefs to choose the next experiment. Through simulations, we demonstrate that our approach is more data-efficient than several baselines that only focus on learning the full causal graph. This allows us to accurately learn downstream causal queries from fewer samples while providing well-calibrated uncertainty estimates for the quantities of interest.
Diffusion models are a class of deep generative models that have shown impressive results on various tasks with dense theoretical founding. Although diffusion models have achieved impressive quality and diversity of sample synthesis than other state-of-the-art models, they still suffer from costly sampling procedure and sub-optimal likelihood estimation. Recent studies have shown great enthusiasm on improving the performance of diffusion model. In this article, we present a first comprehensive review of existing variants of the diffusion models. Specifically, we provide a first taxonomy of diffusion models and categorize them variants to three types, namely sampling-acceleration enhancement, likelihood-maximization enhancement and data-generalization enhancement. We also introduce in detail other five generative models (i.e., variational autoencoders, generative adversarial networks, normalizing flow, autoregressive models, and energy-based models), and clarify the connections between diffusion models and these generative models. Then we make a thorough investigation into the applications of diffusion models, including computer vision, natural language processing, waveform signal processing, multi-modal modeling, molecular graph generation, time series modeling, and adversarial purification. Furthermore, we propose new perspectives pertaining to the development of this generative model.
With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
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