There are proposals that extend the classical generalized additive models (GAMs) to accommodate high-dimensional data ($p>>n$) using group sparse regularization. However, the sparse regularization may induce excess shrinkage when estimating smoothing functions, damaging predictive performance. Moreover, most of these GAMs consider an "all-in-all-out" approach for functional selection, rendering them difficult to answer if nonlinear effects are necessary. While some Bayesian models can address these shortcomings, using Markov chain Monte Carlo algorithms for model fitting creates a new challenge, scalability. Hence, we propose Bayesian hierarchical generalized additive models as a solution: we consider the smoothing penalty for proper shrinkage of curve interpolation and separation of smoothing function linear and nonlinear spaces. A novel spike-and-slab spline prior is proposed to select components of smoothing functions. Two scalable and deterministic algorithms, EM-Coordinate Descent and EM-Iterative Weighted Least Squares, are developed for different utilities. Simulation studies and metabolomics data analyses demonstrate improved predictive or computational performance against state-of-the-art models, mgcv, COSSO and sparse Bayesian GAM. The software implementation of the proposed models is freely available via an R package BHAM.

The Chow-Liu algorithm (IEEE Trans.~Inform.~Theory, 1968) has been a mainstay for the learning of tree-structured graphical models from i.i.d.\ sampled data vectors. Its theoretical properties have been well-studied and are well-understood. In this paper, we focus on the class of trees that are arguably even more fundamental, namely {\em homogeneous} trees in which each pair of nodes that forms an edge has the same correlation $\rho$. We ask whether we are able to further reduce the error probability of learning the structure of the homogeneous tree model when {\em active learning} or {\em active sampling of nodes or variables} is allowed. Our figure of merit is the {\em error exponent}, which quantifies the exponential rate of decay of the error probability with an increasing number of data samples. At first sight, an improvement in the error exponent seems impossible, as all the edges are statistically identical. We design and analyze an algorithm Active Learning Algorithm for Trees with Homogeneous Edge (Active-LATHE), which surprisingly boosts the error exponent by at least 40\% when $\rho$ is at least $0.8$. For all other values of $\rho$, we also observe commensurate, but more modest, improvements in the error exponent. Our analysis hinges on judiciously exploiting the minute but detectable statistical variation of the samples to allocate more data to parts of the graph in which we are less confident of being correct.

Aggregated predictors are obtained by making a set of basic predictors vote according to some weights, that is, to some probability distribution. Randomized predictors are obtained by sampling in a set of basic predictors, according to some prescribed probability distribution. Thus, aggregated and randomized predictors have in common that they are not defined by a minimization problem, but by a probability distribution on the set of predictors. In statistical learning theory, there is a set of tools designed to understand the generalization ability of such procedures: PAC-Bayesian or PAC-Bayes bounds. Since the original PAC-Bayes bounds of D. McAllester, these tools have been considerably improved in many directions (we will for example describe a simplified version of the localization technique of O. Catoni that was missed by the community, and later rediscovered as "mutual information bounds"). Very recently, PAC-Bayes bounds received a considerable attention: for example there was workshop on PAC-Bayes at NIPS 2017, "(Almost) 50 Shades of Bayesian Learning: PAC-Bayesian trends and insights", organized by B. Guedj, F. Bach and P. Germain. One of the reason of this recent success is the successful application of these bounds to neural networks by G. Dziugaite and D. Roy. An elementary introduction to PAC-Bayes theory is still missing. This is an attempt to provide such an introduction.

Copulas are a powerful tool for modeling multivariate distributions as they allow to separately estimate the univariate marginal distributions and the joint dependency structure. However, known parametric copulas offer limited flexibility especially in high dimensions, while commonly used non-parametric methods suffer from the curse of dimensionality. A popular remedy is to construct a tree-based hierarchy of conditional bivariate copulas. In this paper, we propose a flexible, yet conceptually simple alternative based on implicit generative neural networks. The key challenge is to ensure marginal uniformity of the estimated copula distribution. We achieve this by learning a multivariate latent distribution with unspecified marginals but the desired dependency structure. By applying the probability integral transform, we can then obtain samples from the high-dimensional copula distribution without relying on parametric assumptions or the need to find a suitable tree structure. Experiments on synthetic and real data from finance, physics, and image generation demonstrate the performance of this approach.

The interdependence between nodes in graphs is key to improve class predictions on nodes and utilized in approaches like Label Propagation (LP) or in Graph Neural Networks (GNN). Nonetheless, uncertainty estimation for non-independent node-level predictions is under-explored. In this work, we explore uncertainty quantification for node classification in three ways: (1) We derive three axioms explicitly characterizing the expected predictive uncertainty behavior in homophilic attributed graphs. (2) We propose a new model Graph Posterior Network (GPN) which explicitly performs Bayesian posterior updates for predictions on interdependent nodes. GPN provably obeys the proposed axioms. (3) We extensively evaluate GPN and a strong set of baselines on semi-supervised node classification including detection of anomalous features, and detection of left-out classes. GPN outperforms existing approaches for uncertainty estimation in the experiments.

We consider a selection problem where sequentially arrived applicants apply for a limited number of positions/jobs. At each time step, a decision maker accepts or rejects the given applicant using a pre-trained supervised learning model until all the vacant positions are filled. In this paper, we discuss whether the fairness notions (e.g., equal opportunity, statistical parity, etc.) that are commonly used in classification problems are suitable for the sequential selection problems. In particular, we show that even with a pre-trained model that satisfies the common fairness notions, the selection outcomes may still be biased against certain demographic groups. This observation implies that the fairness notions used in classification problems are not suitable for a selection problem where the applicants compete for a limited number of positions. We introduce a new fairness notion, ``Equal Selection (ES),'' suitable for sequential selection problems and propose a post-processing approach to satisfy the ES fairness notion. We also consider a setting where the applicants have privacy concerns, and the decision maker only has access to the noisy version of sensitive attributes. In this setting, we can show that the perfect ES fairness can still be attained under certain conditions.

Graph embedding techniques have been increasingly employed in real-world machine learning tasks on graph-structured data, such as social recommendations and protein structure modeling. Since the generation of a graph is inevitably affected by some sensitive node attributes (such as gender and age of users in a social network), the learned graph representations can inherit such sensitive information and introduce undesirable biases in downstream tasks. Most existing works on debiasing graph representations add ad-hoc constraints on the learned embeddings to restrict their distributions, which however compromise the utility of resulting graph representations in downstream tasks. In this paper, we propose a principled new way for obtaining unbiased representations by learning from an underlying bias-free graph that is not influenced by sensitive attributes. Based on this new perspective, we propose two complementary methods for uncovering such an underlying graph with the goal of introducing minimum impact on the utility of learned representations in downstream tasks. Both our theoretical justification and extensive experiment comparisons against state-of-the-art solutions demonstrate the effectiveness of our proposed methods.

Goal-directed generation, aiming for solving downstream tasks by generating diverse data, has a potentially wide range of applications in the real world. Previous works tend to formulate goal-directed generation as a purely data-driven problem, which directly searches or approximates the distribution of samples satisfying the goal. However, the generation ability of preexisting work is heavily restricted by inefficient sampling, especially for sparse goals that rarely show up in off-the-shelf datasets. For instance, generating safety-critical traffic scenes with the goal of increasing the risk of collision is critical to evaluate autonomous vehicles, but the rareness of such scenes is the biggest resistance. In this paper, we integrate causality as a prior into the safety-critical scene generation process and propose a flow-based generative framework - Causal Autoregressive Flow (CausalAF). CausalAF encourages the generative model to uncover and follow the causal relationship among generated objects via novel causal masking operations instead of searching the sample only from observational data. By learning the cause-and-effect mechanism of how the generated scene achieves the goal rather than just learning correlations from data, CausalAF significantly improves the learning efficiency. Extensive experiments on three heterogeneous traffic scenes illustrate that CausalAF requires much fewer optimization resources to effectively generate goal-directed scenes for safety evaluation tasks.

In human pedagogy, teachers and students can interact adaptively to maximize communication efficiency. The teacher adjusts her teaching method for different students, and the student, after getting familiar with the teacher's instruction mechanism, can infer the teacher's intention to learn faster. Recently, the benefits of integrating this cooperative pedagogy into machine concept learning in discrete spaces have been proved by multiple works. However, how cooperative pedagogy can facilitate machine parameter learning hasn't been thoroughly studied. In this paper, we propose a gradient optimization based teacher-aware learner who can incorporate teacher's cooperative intention into the likelihood function and learn provably faster compared with the naive learning algorithms used in previous machine teaching works. We give theoretical proof that the iterative teacher-aware learning (ITAL) process leads to local and global improvements. We then validate our algorithms with extensive experiments on various tasks including regression, classification, and inverse reinforcement learning using synthetic and real data. We also show the advantage of modeling teacher-awareness when agents are learning from human teachers.

Recently, the information-theoretical framework has been proven to be able to obtain non-vacuous generalization bounds for large models trained by Stochastic Gradient Langevin Dynamics (SGLD) with isotropic noise. In this paper, we optimize the information-theoretical generalization bound by manipulating the noise structure in SGLD. We prove that with constraint to guarantee low empirical risk, the optimal noise covariance is the square root of the expected gradient covariance if both the prior and the posterior are jointly optimized. This validates that the optimal noise is quite close to the empirical gradient covariance. Technically, we develop a new information-theoretical bound that enables such an optimization analysis. We then apply matrix analysis to derive the form of optimal noise covariance. Presented constraint and results are validated by the empirical observations.