Brain function relies on a precisely coordinated and dynamic balance between the functional integration and segregation of distinct neural systems. Characterizing the way in which neural systems reconfigure their interactions to give rise to distinct but hidden brain states remains an open challenge. In this paper, we propose a Bayesian model-based characterization of latent brain states and showcase a novel method based on posterior predictive discrepancy using the latent block model to detect transitions between latent brain states in blood oxygen level-dependent (BOLD) time series. The set of estimated parameters in the model includes a latent label vector that assigns network nodes to communities, and also block model parameters that reflect the weighted connectivity within and between communities. Besides extensive in-silico model evaluation, we also provide empirical validation (and replication) using the Human Connectome Project (HCP) dataset of 100 healthy adults. Our results obtained through an analysis of task-fMRI data during working memory performance show appropriate lags between external task demands and change-points between brain states, with distinctive community patterns distinguishing fixation, low-demand and high-demand task conditions.

We study the problem of estimating a rank-1 additive deformation of a Gaussian tensor according to the \emph{maximum-likelihood estimator} (MLE). The analysis is carried out in the sparse setting, where the underlying signal has a support that scales sublinearly with the total number of dimensions. We show that for Bernoulli distributed signals, the MLE undergoes an \emph{all-or-nothing} (AoN) phase transition, already established for the minimum mean-square-error estimator (MMSE) in the same problem. The result follows from two main technical points: (i) the connection established between the MLE and the MMSE, using the first and second-moment methods in the constrained signal space, (ii) a recovery regime for the MMSE stricter than the simple error vanishing characterization given in the standard AoN, that is here proved as a general result.

This article focuses on numerical issues in maximum likelihood parameter estimation for Gaussian process regression (GPR). This article investigates the origin of the numerical issues and provides simple but effective improvement strategies. This work targets a basic problem but a host of studies, particularly in the literature of Bayesian optimization, rely on off-the-shelf GPR implementations. For the conclusions of these studies to be reliable and reproducible, robust GPR implementations are critical.

Feature attribution is widely used in interpretable machine learning to explain how influential each measured input feature value is for an output inference. However, measurements can be uncertain, and it is unclear how the awareness of input uncertainty can affect the trust in explanations. We propose and study two approaches to help users to manage their perception of uncertainty in a model explanation: 1) transparently show uncertainty in feature attributions to allow users to reflect on, and 2) suppress attribution to features with uncertain measurements and shift attribution to other features by regularizing with an uncertainty penalty. Through simulation experiments, qualitative interviews, and quantitative user evaluations, we identified the benefits of moderately suppressing attribution uncertainty, and concerns regarding showing attribution uncertainty. This work adds to the understanding of handling and communicating uncertainty for model interpretability.

The lack of explainability of a decision from an Artificial Intelligence (AI) based "black box" system/model, despite its superiority in many real-world applications, is a key stumbling block for adopting AI in many high stakes applications of different domain or industry. While many popular Explainable Artificial Intelligence (XAI) methods or approaches are available to facilitate a human-friendly explanation of the decision, each has its own merits and demerits, with a plethora of open challenges. We demonstrate popular XAI methods with a mutual case study/task (i.e., credit default prediction), analyze for competitive advantages from multiple perspectives (e.g., local, global), provide meaningful insight on quantifying explainability, and recommend paths towards responsible or human-centered AI using XAI as a medium. Practitioners can use this work as a catalog to understand, compare, and correlate competitive advantages of popular XAI methods. In addition, this survey elicits future research directions towards responsible or human-centric AI systems, which is crucial to adopt AI in high stakes applications.

We consider the problem of representation and learning of causal models that encode context-specific information for discrete data. To represent such models we define the class of CStrees. This class is a subclass of staged tree models that captures context-specific information in a DAG model by the use of a staged tree, or equivalently, by a collection of DAGs. We provide a characterization of the complete set of asymmetric conditional independence relations encoded by a CStree that generalizes the global Markov property for DAGs. As a consequence, we obtain a graphical characterization of model equivalence for CStrees generalizing that of Verma and Pearl for DAG models. We also provide a closed-form formula for the maximum likelihood estimator of a CStree and use it to show that the Bayesian Information Criterion is a locally consistent score function for this model class. We then use the theory for general interventions in staged tree models to provide a global Markov property and a characterization of model equivalence for general interventions in CStrees. As examples, we apply these results to two real data sets, learning BIC-optimal CStrees for each and analyzing their context-specific causal structure.

Score-based generative modeling has recently emerged as a promising alternative to traditional likelihood-based or implicit approaches. Learning in score-based models involves first perturbing data with a continuous-time stochastic process, and then matching the time-dependent gradient of the logarithm of the noisy data density - or score function - using a continuous mixture of score matching losses. In this note, we show that such an objective is equivalent to maximum likelihood for certain choices of mixture weighting. This connection provides a principled way to weight the objective function, and justifies its use for comparing different score-based generative models. Taken together with previous work, our result reveals that both maximum likelihood training and test-time log-likelihood evaluation can be achieved through parameterization of the score function alone, without the need to explicitly parameterize a density function.

Stacking is a widely used model averaging technique that yields asymptotically optimal prediction among all linear averages. We show that stacking is most effective when the model predictive performance is heterogeneous in inputs, so that we can further improve the stacked mixture with a hierarchical model. With the input-varying yet partially-pooled model weights, hierarchical stacking improves average and conditional predictions. Our Bayesian formulation includes constant-weight (complete-pooling) stacking as a special case. We generalize to incorporate discrete and continuous inputs, other structured priors, and time-series and longitudinal data. We demonstrate on several applied problems.

For a d-ary Boolean function Φ: {0, 1}d → {0, 1} and an assignment to its variables x = (x1, x2, . . . , xd) we consider the problem of finding those subsets of the variables that are sufficient to determine the function value with a given probability δ. This is motivated by the task of interpreting predictions of binary classifiers described as Boolean circuits, which can be seen as special cases of neural networks. We show that the problem of deciding whether such subsets of relevant variables of limited size k ≤ d exist is complete for the complexity class NPPP and thus, generally, unfeasible to solve. We then introduce a variant, in which it suffices to check whether a subset determines the function value with probability at least δ or at most δ − γ for 0 < γ < δ. This promise of a probability gap reduces the complexity to the class NPBPP. Finally, we show that finding the minimal set of relevant variables cannot be reasonably approximated, i.e. with an approximation factor d1−α for α > 0, by a polynomial time algorithm unless P = NP. This holds even with the promise of a probability gap.

Nonparametric maximum likelihood estimation is intended to infer the unknown density distribution while making as few assumptions as possible. To alleviate the over parameterization in nonparametric data fitting, smoothing assumptions are usually merged into the estimation. In this paper a novel boosting-based method is introduced to the nonparametric estimation in univariate cases. We deduce the boosting algorithm by the second-order approximation of nonparametric log-likelihood. Gaussian kernel and smooth spline are chosen as weak learners in boosting to satisfy the smoothing assumptions. Simulations and real data experiments demonstrate the efficacy of the proposed approach.