Gaussian latent variable models are a key class of Bayesian hierarchical models with applications in many fields. Performing Bayesian inference on such models can be challenging as Markov chain Monte Carlo algorithms struggle with the geometry of the resulting posterior distribution and can be prohibitively slow. An alternative is to use a Laplace approximation to marginalize out the latent Gaussian variables and then integrate out the remaining hyperparameters using dynamic Hamiltonian Monte Carlo, a gradient-based Markov chain Monte Carlo sampler. To implement this scheme efficiently, we derive a novel adjoint method that propagates the minimal information needed to construct the gradient of the approximate marginal likelihood. This strategy yields a scalable differentiation method that is orders of magnitude faster than state of the art differentiation techniques when the hyperparameters are high dimensional.

We consider a matrix completion problem that exploits social or item similarity graphs as side information. We develop a universal, parameter-free, and computationally efficient algorithm that starts with hierarchical graph clustering and then iteratively refines estimates both on graph clustering and matrix ratings. Under a hierarchical stochastic block model that well respects practically-relevant social graphs and a low-rank rating matrix model (to be detailed), we demonstrate that our algorithm achieves the information-theoretic limit on the number of observed matrix entries (i.e., optimal sample complexity) that is derived by maximum likelihood estimation together with a lower-bound impossibility result. One consequence of this result is that exploiting the hierarchical structure of social graphs yields a substantial gain in sample complexity relative to the one that simply identifies different groups without resorting to the relational structure across them. We conduct extensive experiments both on synthetic and real-world datasets to corroborate our theoretical results as well as to demonstrate significant performance improvements over other matrix completion algorithms that leverage graph side information.

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works.

Understanding the consequences of mutation for molecular fitness and function is a fundamental problem in biology. Recently, generative probabilistic models have emerged as a powerful tool for estimating fitness from evolutionary sequence data, with accuracy sufficient to predict both laboratory measurements of function and disease risk in humans, and to design novel functional proteins. Existing techniques rest on an assumed relationship between density estimation and fitness estimation, a relationship that we interrogate in this article. We prove that fitness is not identifiable from observational sequence data alone, placing fundamental limits on our ability to disentangle fitness landscapes from phylogenetic history. We show on real datasets that perfect density estimation in the limit of infinite data would, with high confidence, result in poor fitness estimation; current models perform accurate fitness estimation because of, not despite, misspecification.

Temporal-difference learning with gradient correction (TDC) is a two time-scale algorithm for policy evaluation in reinforcement learning. This algorithm was initially proposed with linear function approximation, and was later extended to the one with general smooth function approximation. The asymptotic convergence for the on-policy setting with general smooth function approximation was established in [Bhatnagar et al., 2009], however, the non-asymptotic convergence analysis remains unsolved due to challenges in the non-linear and two-time-scale update structure, non-convex objective function and the projection onto a time-varying tangent plane. In this paper, we develop novel techniques to address the above challenges and explicitly characterize the non-asymptotic error bound for the general off-policy setting with i.i.d. or Markovian samples, and show that it converges as fast as \mathcal O(1/\sqrt T) (up to a factor of \mathcal O(\log T)). Our approach can be applied to a wide range of value-based reinforcement learning algorithms with general smooth function approximation.

We consider the problem of computing the maximum likelihood multivariate log-concave distribution for a set of points. Specifically, we present an algorithm which, given n points in \mathbb{R} d and an accuracy parameter \eps 0, runs in time \poly(n,d,1/\eps), and returns a log-concave distribution which, with high probability, has the property that the likelihood of the n points under the returned distribution is at most an additive \eps less than the maximum likelihood that could be achieved via any log-concave distribution. This is the first computationally efficient (polynomial time) algorithm for this fundamental and practically important task. Our algorithm rests on a novel connection with exponential families: the maximum likelihood log-concave distribution belongs to a class of structured distributions which, while not an exponential family, locally'' possesses key properties of exponential families. This connection then allows the problem of computing the log-concave maximum likelihood distribution to be formulated as a convex optimization problem, and solved via an approximate first-order method. Efficiently approximating the (sub) gradients of the objective function of this optimization problem is quite delicate, and is the main technical challenge in this work.

Probabilistic programs provide an expressive representation language for generative models. Given a probabilistic program, we are interested in the task of posterior inference: estimating a latent variable given a set of observed variables. Existing techniques for inference in probabilistic programs often require choosing many hyper-parameters, are computationally expensive, and/or only work for restricted classes of programs. Here we formulate inference as masked language modeling: given a program, we generate a supervised dataset of variables and assignments, and randomly mask a subset of the assignments. We then train a neural network to unmask the random values, defining an approximate posterior distribution.

We present an efficient algorithm for maximum likelihood estimation (MLE) of exponential family models, with a general parametrization of the energy function that includes neural networks. We exploit the primal-dual view of the MLE with a kinetics augmented model to obtain an estimate associated with an adversarial dual sampler. To represent this sampler, we introduce a novel neural architecture, dynamics embedding, that generalizes Hamiltonian Monte-Carlo (HMC). The proposed approach inherits the flexibility of HMC while enabling tractable entropy estimation for the augmented model. By learning both a dual sampler and the primal model simultaneously, and sharing parameters between them, we obviate the requirement to design a separate sampling procedure once the model has been trained, leading to more effective learning.

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when.In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model.