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 Uncertainty


Graphical model inference: Sequential Monte Carlo meets deterministic approximations

Neural Information Processing Systems

Approximate inference in probabilistic graphical models (PGMs) can be grouped into deterministic methods and Monte-Carlo-based methods. The former can often provide accurate and rapid inferences, but are typically associated with biases that are hard to quantify. The latter enjoy asymptotic consistency, but can suffer from high computational costs. In this paper we present a way of bridging the gap between deterministic and stochastic inference. Specifically, we suggest an efficient sequential Monte Carlo (SMC) algorithm for PGMs which can leverage the output from deterministic inference methods. While generally applicable, we show explicitly how this can be done with loopy belief propagation, expectation propagation, and Laplace approximations. The resulting algorithm can be viewed as a post-correction of the biases associated with these methods and, indeed, numerical results show clear improvements over the baseline deterministic methods as well as over "plain" SMC.


Proximal Graphical Event Models

Neural Information Processing Systems

Event datasets include events that occur irregularly over the timeline and are prevalent in numerous domains. We introduce proximal graphical event models (PGEM) as a representation of such datasets. PGEMs belong to a broader family of models that characterize relationships between various types of events, where the rate of occurrence of an event type depends only on whether or not its parents have occurred in the most recent history. The main advantage over the state of the art models is that they are entirely data driven and do not require additional inputs from the user, which can require knowledge of the domain such as choice of basis functions or hyperparameters in graphical event models. We theoretically justify our learning of optimal windows for parental history and the choices of parental sets, and the algorithm are sound and complete in terms of parent structure learning. We present additional efficient heuristics for learning PGEMs from data, demonstrating their effectiveness on synthetic and real datasets.


Approximate Knowledge Compilation by Online Collapsed Importance Sampling

Neural Information Processing Systems

We introduce collapsed compilation, a novel approximate inference algorithm for discrete probabilistic graphical models. It is a collapsed sampling algorithm that incrementally selects which variable to sample next based on the partial compila- tion obtained so far. This online collapsing, together with knowledge compilation inference on the remaining variables, naturally exploits local structure and context- specific independence in the distribution. These properties are used implicitly in exact inference, but are difficult to harness for approximate inference. More- over, by having a partially compiled circuit available during sampling, collapsed compilation has access to a highly effective proposal distribution for importance sampling. Our experimental evaluation shows that collapsed compilation performs well on standard benchmarks. In particular, when the amount of exact inference is equally limited, collapsed compilation is competitive with the state of the art, and outperforms it on several benchmarks.


Stochastic Expectation Maximization with Variance Reduction

Neural Information Processing Systems

Expectation-Maximization (EM) is a popular tool for learning latent variable models, but the vanilla batch EM does not scale to large data sets because the whole data set is needed at every E-step. Stochastic Expectation Maximization (sEM) reduces the cost of E-step by stochastic approximation. However, sEM has a slower asymptotic convergence rate than batch EM, and requires a decreasing sequence of step sizes, which is difficult to tune. In this paper, we propose a variance reduced stochastic EM (sEM-vr) algorithm inspired by variance reduced stochastic gradient descent algorithms. We show that sEM-vr has the same exponential asymptotic convergence rate as batch EM. Moreover, sEM-vr only requires a constant step size to achieve this rate, which alleviates the burden of parameter tuning. We compare sEM-vr with batch EM, sEM and other algorithms on Gaussian mixture models and probabilistic latent semantic analysis, and sEM-vr converges significantly faster than these baselines.


Cluster Variational Approximations for Structure Learning of Continuous-Time Bayesian Networks from Incomplete Data

Neural Information Processing Systems

Continuous-time Bayesian networks (CTBNs) constitute a general and powerful framework for modeling continuous-time stochastic processes on networks. This makes them particularly attractive for learning the directed structures among interacting entities. However, if the available data is incomplete, one needs to simulate the prohibitively complex CTBN dynamics. Existing approximation techniques, such as sampling and low-order variational methods, either scale unfavorably in system size, or are unsatisfactory in terms of accuracy. Inspired by recent advances in statistical physics, we present a new approximation scheme based on cluster-variational methods that significantly improves upon existing variational approximations. We can analytically marginalize the parameters of the approximate CTBN, as these are of secondary importance for structure learning. This recovers a scalable scheme for direct structure learning from incomplete and noisy time-series data. Our approach outperforms existing methods in terms of scalability.


Rectangular Bounding Process

Neural Information Processing Systems

Stochastic partition models divide a multi-dimensional space into a number of rectangular regions, such that the data within each region exhibit certain types of homogeneity. Due to the nature of their partition strategy, existing partition models may create many unnecessary divisions in sparse regions when trying to describe data in dense regions. To avoid this problem we introduce a new parsimonious partition model -- the Rectangular Bounding Process (RBP) -- to efficiently partition multi-dimensional spaces, by employing a bounding strategy to enclose data points within rectangular bounding boxes. Unlike existing approaches, the RBP possesses several attractive theoretical properties that make it a powerful nonparametric partition prior on a hypercube. In particular, the RBP is self-consistent and as such can be directly extended from a finite hypercube to infinite (unbounded) space. We apply the RBP to regression trees and relational models as a flexible partition prior. The experimental results validate the merit of the RBP {in rich yet parsimonious expressiveness} compared to the state-of-the-art methods.


Simple, Distributed, and Accelerated Probabilistic Programming

Neural Information Processing Systems

We describe a simple, low-level approach for embedding probabilistic programming in a deep learning ecosystem. In particular, we distill probabilistic programming down to a single abstraction—the random variable. Our lightweight implementation in TensorFlow enables numerous applications: a model-parallel variational auto-encoder (VAE) with 2nd-generation tensor processing units (TPUv2s); a data-parallel autoregressive model (Image Transformer) with TPUv2s; and multi-GPU No-U-Turn Sampler (NUTS). For both a state-of-the-art VAE on 64x64 ImageNet and Image Transformer on 256x256 CelebA-HQ, our approach achieves an optimal linear speedup from 1 to 256 TPUv2 chips. With NUTS, we see a 100x speedup on GPUs over Stan and 37x over PyMC3.


Inference in Deep Gaussian Processes using Stochastic Gradient Hamiltonian Monte Carlo

Neural Information Processing Systems

Deep Gaussian Processes (DGPs) are hierarchical generalizations of Gaussian Processes that combine well calibrated uncertainty estimates with the high flexibility of multilayer models. One of the biggest challenges with these models is that exact inference is intractable. The current state-of-the-art inference method, Variational Inference (VI), employs a Gaussian approximation to the posterior distribution. This can be a potentially poor unimodal approximation of the generally multimodal posterior. In this work, we provide evidence for the non-Gaussian nature of the posterior and we apply the Stochastic Gradient Hamiltonian Monte Carlo method to generate samples. To efficiently optimize the hyperparameters, we introduce the Moving Window MCEM algorithm. This results in significantly better predictions at a lower computational cost than its VI counterpart. Thus our method establishes a new state-of-the-art for inference in DGPs.


Out-of-Distribution Detection using Multiple Semantic Label Representations

Neural Information Processing Systems

Deep Neural Networks are powerful models that attained remarkable results on a variety of tasks. These models are shown to be extremely efficient when training and test data are drawn from the same distribution. However, it is not clear how a network will act when it is fed with an out-of-distribution example. In this work, we consider the problem of out-of-distribution detection in neural networks. We propose to use multiple semantic dense representations instead of sparse representation as the target label. Specifically, we propose to use several word representations obtained from different corpora or architectures as target labels. We evaluated the proposed model on computer vision, and speech commands detection tasks and compared it to previous methods. Results suggest that our method compares favorably with previous work. Besides, we present the efficiency of our approach for detecting wrongly classified and adversarial examples.


Learning Signed Determinantal Point Processes through the Principal Minor Assignment Problem

Neural Information Processing Systems

Symmetric determinantal point processes (DPP) are a class of probabilistic models that encode the random selection of items that have a repulsive behavior. They have attracted a lot of attention in machine learning, where returning diverse sets of items is sought for. Sampling and learning these symmetric DPP's is pretty well understood. In this work, we consider a new class of DPP's, which we call signed DPP's, where we break the symmetry and allow attractive behaviors. We set the ground for learning signed DPP's through a method of moments, by solving the so called principal assignment problem for a class of matrices $K$ that satisfy $K_{i,j}=\pm K_{j,i}$, $i\neq j$, in polynomial time.