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 Uncertainty


Experimental Design for Learning Causal Graphs with Latent Variables

Neural Information Processing Systems

We consider the problem of learning causal structures with latent variables using interventions. Our objective is not only to learn the causal graph between the observed variables, but to locate unobserved variables that could confound the relationship between observables. Our approach is stage-wise: We first learn the observable graph, i.e., the induced graph between observable variables. Next we learn the existence and location of the latent variables given the observable graph. We propose an efficient randomized algorithm that can learn the observable graph using O(d\log^2 n) interventions where d is the degree of the graph. We further propose an efficient deterministic variant which uses O(log n + l) interventions, where l is the longest directed path in the graph. Next, we propose an algorithm that uses only O(d^2 log n) interventions that can learn the latents between both non-adjacent and adjacent variables. While a naive baseline approach would require O(n^2) interventions, our combined algorithm can learn the causal graph with latents using O(d log^2 n + d^2 log (n)) interventions.


Efficient and Flexible Inference for Stochastic Systems

Neural Information Processing Systems

Many real world dynamical systems are described by stochastic differential equations. Thus parameter inference is a challenging and important problem in many disciplines. We provide a grid free and flexible algorithm offering parameter and state inference for stochastic systems and compare our approch based on variational approximations to state of the art methods showing significant advantages both in runtime and accuracy.


Linear Time Computation of Moments in Sum-Product Networks

Neural Information Processing Systems

Bayesian online algorithms for Sum-Product Networks (SPNs) need to update their posterior distribution after seeing one single additional instance. To do so, they must compute moments of the model parameters under this distribution. The best existing method for computing such moments scales quadratically in the size of the SPN, although it scales linearly for trees. This unfortunate scaling makes Bayesian online algorithms prohibitively expensive, except for small or tree-structured SPNs. We propose an optimal linear-time algorithm that works even when the SPN is a general directed acyclic graph (DAG), which significantly broadens the applicability of Bayesian online algorithms for SPNs. There are three key ingredients in the design and analysis of our algorithm: 1). For each edge in the graph, we construct a linear time reduction from the moment computation problem to a joint inference problem in SPNs. 2). Using the property that each SPN computes a multilinear polynomial, we give an efficient procedure for polynomial evaluation by differentiation without expanding the network that may contain exponentially many monomials. 3). We propose a dynamic programming method to further reduce the computation of the moments of all the edges in the graph from quadratic to linear. We demonstrate the usefulness of our linear time algorithm by applying it to develop a linear time assume density filter (ADF) for SPNs.


Structured Bayesian Pruning via Log-Normal Multiplicative Noise

Neural Information Processing Systems

Dropout-based regularization methods can be regarded as injecting random noise with pre-defined magnitude to different parts of the neural network during training. It was recently shown that Bayesian dropout procedure not only improves gener- alization but also leads to extremely sparse neural architectures by automatically setting the individual noise magnitude per weight. However, this sparsity can hardly be used for acceleration since it is unstructured. In the paper, we propose a new Bayesian model that takes into account the computational structure of neural net- works and provides structured sparsity, e.g. removes neurons and/or convolutional channels in CNNs. To do this we inject noise to the neurons outputs while keeping the weights unregularized. We establish the probabilistic model with a proper truncated log-uniform prior over the noise and truncated log-normal variational approximation that ensures that the KL-term in the evidence lower bound is com- puted in closed-form. The model leads to structured sparsity by removing elements with a low SNR from the computation graph and provides significant acceleration on a number of deep neural architectures. The model is easy to implement as it can be formulated as a separate dropout-like layer.


Inverse Reward Design

Neural Information Processing Systems

Autonomous agents optimize the reward function we give them. What they don't know is how hard it is for us to design a reward function that actually captures what we want. When designing the reward, we might think of some specific training scenarios, and make sure that the reward will lead to the right behavior in those scenarios. Inevitably, agents encounter new scenarios (e.g., new types of terrain) where optimizing that same reward may lead to undesired behavior. Our insight is that reward functions are merely observations about what the designer actually wants, and that they should be interpreted in the context in which they were designed. We introduce inverse reward design (IRD) as the problem of inferring the true objective based on the designed reward and the training MDP. We introduce approximate methods for solving IRD problems, and use their solution to plan risk-averse behavior in test MDPs. Empirical results suggest that this approach can help alleviate negative side effects of misspecified reward functions and mitigate reward hacking.


Neural Variational Inference and Learning in Undirected Graphical Models

Neural Information Processing Systems

Many problems in machine learning are naturally expressed in the language of undirected graphical models. Here, we propose black-box learning and inference algorithms for undirected models that optimize a variational approximation to the log-likelihood of the model. Central to our approach is an upper bound on the log-partition function parametrized by a function q that we express as a flexible neural network. Our bound makes it possible to track the partition function during learning, to speed-up sampling, and to train a broad class of hybrid directed/undirected models via a unified variational inference framework. We empirically demonstrate the effectiveness of our method on several popular generative modeling datasets.


Filtering Variational Objectives

Neural Information Processing Systems

When used as a surrogate objective for maximum likelihood estimation in latent variable models, the evidence lower bound (ELBO) produces state-of-the-art results. Inspired by this, we consider the extension of the ELBO to a family of lower bounds defined by a particle filter's estimator of the marginal likelihood, the filtering variational objectives (FIVOs). FIVOs take the same arguments as the ELBO, but can exploit a model's sequential structure to form tighter bounds. We present results that relate the tightness of FIVO's bound to the variance of the particle filter's estimator by considering the generic case of bounds defined as log-transformed likelihood estimators. Experimentally, we show that training with FIVO results in substantial improvements over training the same model architecture with the ELBO on sequential data.


Learning Identifiable Gaussian Bayesian Networks in Polynomial Time and Sample Complexity

Neural Information Processing Systems

Learning the directed acyclic graph (DAG) structure of a Bayesian network from observational data is a notoriously difficult problem for which many non-identifiability and hardness results are known. In this paper we propose a provably polynomial-time algorithm for learning sparse Gaussian Bayesian networks with equal noise variance --- a class of Bayesian networks for which the DAG structure can be uniquely identified from observational data --- under high-dimensional settings. We show that $O(k^4 \log p)$ number of samples suffices for our method to recover the true DAG structure with high probability, where $p$ is the number of variables and $k$ is the maximum Markov blanket size. We obtain our theoretical guarantees under a condition called \emph{restricted strong adjacency faithfulness} (RSAF), which is strictly weaker than strong faithfulness --- a condition that other methods based on conditional independence testing need for their success. The sample complexity of our method matches the information-theoretic limits in terms of the dependence on $p$. We validate our theoretical findings through synthetic experiments.


Simple and Scalable Predictive Uncertainty Estimation using Deep Ensembles

Neural Information Processing Systems

Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs, which learn a distribution over weights, are currently the state-of-the-art for estimating predictive uncertainty; however these require significant modifications to the training procedure and are computationally expensive compared to standard (non-Bayesian) NNs. We propose an alternative to Bayesian NNs that is simple to implement, readily parallelizable, requires very little hyperparameter tuning, and yields high quality predictive uncertainty estimates. Through a series of experiments on classification and regression benchmarks, we demonstrate that our method produces well-calibrated uncertainty estimates which are as good or better than approximate Bayesian NNs. To assess robustness to dataset shift, we evaluate the predictive uncertainty on test examples from known and unknown distributions, and show that our method is able to express higher uncertainty on out-of-distribution examples. We demonstrate the scalability of our method by evaluating predictive uncertainty estimates on ImageNet.


Robust and Efficient Transfer Learning with Hidden Parameter Markov Decision Processes

Neural Information Processing Systems

We introduce a new formulation of the Hidden Parameter Markov Decision Process (HiP-MDP), a framework for modeling families of related tasks using low-dimensional latent embeddings. Our new framework correctly models the joint uncertainty in the latent parameters and the state space. We also replace the original Gaussian Process-based model with a Bayesian Neural Network, enabling more scalable inference. Thus, we expand the scope of the HiP-MDP to applications with higher dimensions and more complex dynamics.