A decision tree is commonly restricted to use a single hyperplane to split the covariate space at each of its internal nodes. It often requires a large number of nodes to achieve high accuracy, hurting its interpretability. In this paper, we propose convex polytope trees (CPT) to expand the family of decision trees by an interpretable generalization of their decision boundary. The splitting function at each node of CPT is based on the logical disjunction of a community of differently weighted probabilistic linear decision-makers, which also geometrically corresponds to a convex polytope in the covariate space. We use a nonparametric Bayesian prior at each node to infer the community's size, encouraging simpler decision boundaries by shrinking the number of polytope facets. We develop a greedy method to efficiently construct CPT and scalable end-to-end training algorithms for the tree parameters when the tree structure is given. We empirically demonstrate the efficiency of CPT over existing state-of-the-art decision trees in several real-world classification and regression tasks from diverse domains.

Domains where supervised models are deployed often come with task-specific constraints, such as prior expert knowledge on the ground-truth function, or desiderata like safety and fairness. We introduce a novel probabilistic framework for reasoning with such constraints and formulate a prior that enables us to effectively incorporate them into Bayesian neural networks (BNNs), including a variant that can be amortized over tasks. The resulting Output-Constrained BNN (OC-BNN) is fully consistent with the Bayesian framework for uncertainty quantification and is amenable to black-box inference. Unlike typical BNN inference in uninterpretable parameter space, OC-BNNs widen the range of functional knowledge that can be incorporated, especially for model users without expertise in machine learning. We demonstrate the efficacy of OC-BNNs on real-world datasets, spanning multiple domains such as healthcare, criminal justice, and credit scoring.

Compared to the conditional mean as a simple point estimator, the conditional density function is more informative to describe the distributions with multi-modality, asymmetry or heteroskedasticity. In this paper, we propose a novel parametric conditional density estimation method by showing the connection between the general density and the likelihood function of inhomogeneous Poisson process models. The maximum likelihood estimates can be obtained via weighted logistic regressions, and the computation can be significantly relaxed by combining a block-wise alternating maximization scheme and local case-control sampling. We also provide simulation studies for illustration.

A common problem in neuroscience is to elucidate the collective neural representations of behaviorally important variables such as head direction, spatial location, upcoming movements, or mental spatial transformations. Often, these latent variables are internal constructs not directly accessible to the experimenter. Here, we propose a new probabilistic latent variable model to simultaneously identify the latent state and the way each neuron contributes to its representation in an unsupervised way. In contrast to previous models which assume Euclidean latent spaces, we embrace the fact that latent states often belong to symmetric manifolds such as spheres, tori, or rotation groups of various dimensions. We therefore propose the manifold Gaussian process latent variable model (mGPLVM), where neural responses arise from (i) a shared latent variable living on a specific manifold, and (ii) a set of non-parametric tuning curves determining how each neuron contributes to the representation. Cross-validated comparisons of models with different topologies can be used to distinguish between candidate manifolds, and variational inference enables quantification of uncertainty. We demonstrate the validity of the approach on several synthetic datasets, as well as on calcium recordings from the ellipsoid body of Drosophila melanogaster and extracellular recordings from the mouse anterodorsal thalamic nucleus. These circuits are both known to encode head direction, and mGPLVM correctly recovers the ring topology expected from neural populations representing a single angular variable.

Among existing uncertainty estimation approaches, Dirichlet Prior Network (DPN) distinctly models different predictive uncertainty types. However, for in-domain examples with high data uncertainties among multiple classes, even a DPN model often produces indistinguishable representations from the out-of-distribution (OOD) examples, compromising their OOD detection performance. We address this shortcoming by proposing a novel loss function for DPN to maximize the \textit{representation gap} between in-domain and OOD examples. Experimental results demonstrate that our proposed approach consistently improves OOD detection performance.

Attention modules, as simple and effective tools, have not only enabled deep neural networks to achieve state-of-the-art results in many domains, but also enhanced their interpretability. Most current models use deterministic attention modules due to their simplicity and ease of optimization. Stochastic counterparts, on the other hand, are less popular despite their potential benefits. The main reason is that stochastic attention often introduces optimization issues or requires significant model changes. In this paper, we propose a scalable stochastic version of attention that is easy to implement and optimize. We construct simplex-constrained attention distributions by normalizing reparameterizable distributions, making the training process differentiable. We learn their parameters in a Bayesian framework where a data-dependent prior is introduced for regularization. We apply the proposed stochastic attention modules to various attention-based models, with applications to graph node classification, visual question answering, image captioning, machine translation, and language understanding. Our experiments show the proposed method brings consistent improvements over the corresponding baselines.

Understanding systems by forward and inverse modeling is a recurrent topic of research in many domains of science and engineering. In this context, Monte Carlo methods have been widely used as powerful tools for numerical inference and optimization. They require the choice of a suitable proposal density that is crucial for their performance. For this reason, several adaptive importance sampling (AIS) schemes have been proposed in the literature. We here present an AIS framework called Regression-based Adaptive Deep Importance Sampling (RADIS). In RADIS, the key idea is the adaptive construction via regression of a non-parametric proposal density (i.e., an emulator), which mimics the posterior distribution and hence minimizes the mismatch between proposal and target densities. RADIS is based on a deep architecture of two (or more) nested IS schemes, in order to draw samples from the constructed emulator. The algorithm is highly efficient since employs the posterior approximation as proposal density, which can be improved adding more support points. As a consequence, RADIS asymptotically converges to an exact sampler under mild conditions. Additionally, the emulator produced by RADIS can be in turn used as a cheap surrogate model for further studies. We introduce two specific RADIS implementations that use Gaussian Processes (GPs) and Nearest Neighbors (NN) for constructing the emulator. Several numerical experiments and comparisons show the benefits of the proposed schemes. A real-world application in remote sensing model inversion and emulation confirms the validity of the approach.

Non-negative matrix factorization (NMF) has become a well-established class of methods for the analysis of non-negative data. In particular, a lot of effort has been devoted to probabilistic NMF, namely estimation or inference tasks in probabilistic models describing the data, based for example on Poisson or exponential likelihoods. When dealing with time series data, several works have proposed to model the evolution of the activation coefficients as a non-negative Markov chain, most of the time in relation with the Gamma distribution, giving rise to so-called temporal NMF models. In this paper, we review four Gamma Markov chains of the NMF literature, and show that they all share the same drawback: the absence of a well-defined stationary distribution. We then introduce a fifth process, an overlooked model of the time series literature named BGAR(1), which overcomes this limitation. These temporal NMF models are then compared in a MAP framework on a prediction task, in the context of the Poisson likelihood.

We consider the fundamental problem of how to automatically construct summary statistics for implicit generative models where the evaluation of likelihood function is intractable but sampling / simulating data from the model is possible. The idea is to frame the task of constructing sufficient statistics as learning mutual information maximizing representation of the data. This representation is computed by a deep neural network trained by a joint statistic-posterior learning strategy. We apply our approach to both traditional approximate Bayesian computation (ABC) and recent neural likelihood approaches, boosting their performance on a range of tasks.

Artificial intelligence (AI), machine learning (ML), and predictive analytics (PA) are current buzzwords eclipsing the tech industry hype curve. At this point, most tech savvy people are tired of hearing how these techniques will save the day. Let's eliminate some of the hype and paint a more realistic picture of what's happening with these technologies. All three are surprisingly old concepts. Predictive analytics can trace its origins back to Thomas Bayes, who laid the foundation to Bayesian probability theory in 1736. Nothing new here, except within the last 50 years, computers have made it much easier to work with the math.