Traditional approaches to probabilistic inference such as loopy belief propagation and Gibbs sampling typically compute marginals for it all the unobserved variables in a graphical model. However, in many real-world applications the user's interests are focused on a subset of the variables, specified by a query. In this case it would be wasteful to uniformly sample, say, one million variables when the query concerns only ten. In this paper we propose a query-specific approach to MCMC that accounts for the query variables and their generalized mutual information with neighboring variables in order to achieve higher computational efficiency. Surprisingly there has been almost no previous work on query-aware MCMC.

Statistical relational learning models combine the power of first-order logic, the de facto tool for handling relational structure, with that of probabilistic graphical models, the de facto tool for handling uncertainty. Lifted probabilistic inference algorithms for them have been the subject of much recent research. The main idea in these algorithms is to improve the speed, accuracy and scalability of existing graphical models' inference algorithms by exploiting symmetry in the first-order representation. In this paper, we consider blocked Gibbs sampling, an advanced variation of the classic Gibbs sampling algorithm and lift it to the first-order level. We propose to achieve this by partitioning the first-order atoms in the relational model into a set of disjoint clusters such that exact lifted inference is polynomial in each cluster given an assignment to all other atoms not in the cluster.

Population activity measurement by calcium imaging can be combined with cellular resolution optogenetic activity perturbations to enable the mapping of neural connectivity in vivo. This requires accurate inference of perturbed and unperturbed neural activity from calcium imaging measurements, which are noisy and indirect, and can also be contaminated by photostimulation artifacts. We have developed a new fully Bayesian approach to jointly inferring spiking activity and neural connectivity from in vivo all-optical perturbation experiments. In contrast to standard approaches that perform spike inference and analysis in two separate maximum-likelihood phases, our joint model is able to propagate uncertainty in spike inference to the inference of connectivity and vice versa. We use the framework of variational autoencoders to model spiking activity using discrete latent variables, low-dimensional latent common input, and sparse spike-and-slab generalized linear coupling between neurons.

Graph neural networks (GNNs) have achieved lots of success on graph-structured data. In light of this, there has been increasing interest in studying their representation power. One line of work focuses on the universal approximation of permutation-invariant functions by certain classes of GNNs, and another demonstrates the limitation of GNNs via graph isomorphism tests. Our work connects these two perspectives and proves their equivalence. We further develop a framework of the representation power of GNNs with the language of sigma-algebra, which incorporates both viewpoints.

Recently, Charikar and Siminelakis (2017) presented a framework for kernel density estimation in provably sublinear query time, for kernels that possess a certain hashing-based property. However, their data structure requires a significantly increased super-linear storage space, as well as super-linear preprocessing time. These limitations inhibit the practical applicability of their approach on large datasets. In this work, we present an improvement to their framework that retains the same query time, while requiring only linear space and linear preprocessing time. We instantiate our framework with the Laplacian and Exponential kernels, two popular kernels which possess the aforementioned property.

We propose a projected Stein variational Newton (pSVN) method for high-dimensional Bayesian inference. To address the curse of dimensionality, we exploit the intrinsic low-dimensional geometric structure of the posterior distribution in the high-dimensional parameter space via its Hessian (of the log posterior) operator and perform a parallel update of the parameter samples projected into a low-dimensional subspace by an SVN method. The subspace is adaptively constructed using the eigenvectors of the averaged Hessian at the current samples. We demonstrate fast convergence of the proposed method, complexity independent of the parameter and sample dimensions, and parallel scalability. Papers published at the Neural Information Processing Systems Conference.

Smart portable applications increasingly rely on edge computing due to privacy and latency concerns. But guaranteeing always-on functionality comes with two major challenges: heavily resource-constrained hardware; and dynamic application conditions. Probabilistic models present an ideal solution to these challenges: they are robust to missing data, allow for joint predictions and have small data needs. In addition, ongoing efforts in field of tractable learning have resulted in probabilistic models with strict inference efficiency guarantees. However, the current notions of tractability are often limited to model complexity, disregarding the hardware's specifications and constraints.

We developed a Nonlinear Level-set Learning (NLL) method for dimensionality reduction in high-dimensional function approximation with small data. This work is motivated by a variety of design tasks in real-world engineering applications, where practitioners would replace their computationally intensive physical models (e.g., high-resolution fluid simulators) with fast-to-evaluate predictive machine learning models, so as to accelerate the engineering design processes. There are two major challenges in constructing such predictive models: (a) high-dimensional inputs (e.g., many independent design parameters) and (b) small training data, generated by running extremely time-consuming simulations. Thus, reducing the input dimension is critical to alleviate the over-fitting issue caused by data insufficiency. Existing methods, including sliced inverse regression and active subspace approaches, reduce the input dimension by learning a linear coordinate transformation; our main contribution is to extend the transformation approach to a nonlinear regime.

When maximum likelihood estimation is infeasible, one often turns to score matching, contrastive divergence, or minimum probability flow to obtain tractable parameter estimates. We provide a unifying perspective of these techniques as minimum Stein discrepancy estimators, and use this lens to design new diffusion kernel Stein discrepancy (DKSD) and diffusion score matching (DSM) estimators with complementary strengths. We establish the consistency, asymptotic normality, and robustness of DKSD and DSM estimators, then derive stochastic Riemannian gradient descent algorithms for their efficient optimisation. The main strength of our methodology is its flexibility, which allows us to design estimators with desirable properties for specific models at hand by carefully selecting a Stein discrepancy. We illustrate this advantage for several challenging problems for score matching, such as non-smooth, heavy-tailed or light-tailed densities.

Learning the causal-interaction network of multivariate Hawkes processes is a useful task in many applications. Maximum-likelihood estimation is the most common approach to solve the problem in the presence of long observation sequences. However, when only short sequences are available, the lack of data amplifies the risk of overfitting and regularization becomes critical. Due to the challenges of hyper-parameter tuning, state-of-the-art methods only parameterize regularizers by a single shared hyper-parameter, hence limiting the power of representation of the model. To solve both issues, we develop in this work an efficient algorithm based on variational expectation-maximization.