NeurIPS 2019 Papers

We develop new models and algorithms for learning the temporal dynamics of the topic polytopes and related geometric objects that arise in topic model based inference. Our model is nonparametric Bayesian and the corresponding inference algorithm is able to discover new topics as the time progresses. By exploiting the connection between the modeling of topic polytope evolution, Beta-Bernoulli process and the Hungarian matching algorithm, our method is shown to be several orders of magnitude faster than existing topic modeling approaches, as demonstrated by experiments working with several million documents in under two dozens of minutes.

Continuous-time Bayesian Networks (CTBNs) represent a compact yet powerful framework for understanding multivariate time-series data. Given complete data, parameters and structure can be estimated efficiently in closed-form. However, if data is incomplete, the latent states of the CTBN have to be estimated by laboriously simulating the intractable dynamics of the assumed CTBN. This is a problem, especially for structure learning tasks, where this has to be done for each element of a super-exponentially growing set of possible structures. In order to circumvent this notorious bottleneck, we develop a novel gradient-based approach to structure learning. Instead of sampling and scoring all possible structures individually, we assume the generator of the CTBN to be composed as a mixture of generators stemming from different structures. In this framework, structure learning can be performed via a gradient-based optimization of mixture weights. We combine this approach with a new variational method that allows for a closed-form calculation of this mixture marginal likelihood. We show the scalability of our method by learning structures of previously inaccessible sizes from synthetic and real-world data.

Determining the positions of neurons in an extracellular recording is useful for investigating the functional properties of the underlying neural circuitry. In this work, we present a Bayesian modelling approach for localizing the source of individual spikes on high-density, microelectrode arrays. To allow for scalable inference, we implement our model as a variational autoencoder and perform amortized variational inference. We evaluate our method on both biophysically realistic simulated and real extracellular datasets, demonstrating that it is more accurate than and can improve spike sorting performance over heuristic localization methods such as center of mass.

We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a pseudometric on graphs. Given two graphs, the optimal transport associated with their Gromov-Wasserstein discrepancy provides the correspondence between their nodes and achieves graph matching. When one of the graphs is a predefined graph with isolated but self-connected nodes ($i.e.$, disconnected graph), the optimal transport indicates the clustering structure of the other graph and achieves graph partitioning. Further, we extend our method to multi-graph partitioning and matching by learning a Gromov-Wasserstein barycenter graph for multiple observed graphs. Our method combines a recursive $K$-partition mechanism with a warm-start proximal gradient algorithm, whose time complexity is $\mathcal{O}(K(E+V)\log_K V)$ for graphs with $V$ nodes and $E$ edges. To our knowledge, our method is the first attempt to make Gromov-Wasserstein discrepancy applicable to large-scale graph analysis and unify graph partitioning and matching into the same framework. It outperforms state-of-the-art graph partitioning and matching methods, achieving a trade-off between accuracy and efficiency.

In this work, we propose a probabilistic framework for relational data modelling and latent structure exploring. Given the possible feature information for the nodes in a network, our model builds up a deep architecture that can approximate to the possible nonlinear mappings between the nodes' feature information and latent representations. For each node, we incorporate all its neighborhoods' high-order structure information to generate latent representation, such that these latent representations are ``smooth'' in terms of the network. Since the latent representations are generated from Dirichlet distributions, we further develop a data augmentation trick to enable efficient Gibbs sampling for Ber-Poisson likelihood with Dirichlet random variables. Our model can be ready to apply to large sparse network as its computations cost scales to the number of positive links in the networks. The superior performance of our model is demonstrated through improved link prediction performance on a range of real-world datasets.

We implement gradient-based variational inference routines for Wishart and inverse Wishart processes, which we apply as Bayesian models for the dynamic, heteroskedastic covariance matrix of a multivariate time series. The Wishart and inverse Wishart processes are constructed from i.i.d. Gaussian processes, existing variational inference algorithms for which form the basis of our approach. These methods are easy to implement as a black-box and scale favorably with the length of the time series, however, they fail in the case of the Wishart process, an issue we resolve with a simple modification into an additive white noise parameterization of the model. This modification is also key to implementing a factored variant of the construction, allowing inference to additionally scale to high-dimensional covariance matrices. Through experimentation, we demonstrate that some (but not all) model variants outperform multivariate GARCH when forecasting the covariances of returns on financial instruments.

We consider massive distributed datasets that consist of elements modeled as key-value pairs and the task of computing statistics or aggregates where the contribution of each key is weighted by a function of its frequency (sum of values of its elements). This fundamental problem has a wealth of applications in data analytics and machine learning, in particular, with concave sublinear functions of the frequencies that mitigate the disproportionate effect of keys with high frequency. The family of concave sublinear functions includes low frequency moments ($p \leq 1$), capping, logarithms, and their compositions. A common approach is to sample keys, ideally, proportionally to their contributions and estimate statistics from the sample. A simple but costly way to do this is by aggregating the data to produce a table of keys and their frequencies, apply our function to the frequency values, and then apply a weighted sampling scheme. Our main contribution is the design of composable sampling sketches that can be tailored to any concave sublinear function of the frequencies. Our sketch structure size is very close to the desired sample size and our samples provide statistical guarantees on the estimation quality that are very close to that of an ideal sample of the same size computed over aggregated data. Finally, we demonstrate experimentally the simplicity and effectiveness of our methods.

The paper introduces a new algorithm for planning in partially observable Markov decision processes (POMDP) based on the idea of aggregate simulation. The algorithm uses product distributions to approximate the belief state and shows how to build a representation graph of an approximate action-value function over belief space. The graph captures the result of simulating the model in aggregate under independence assumptions, giving a symbolic representation of the value function. The algorithm supports large observation spaces using sampling networks, a representation of the process of sampling values of observations, which is integrated into the graph representation. Following previous work in MDPs this approach enables action selection in POMDPs through gradient optimization over the graph representation. This approach complements recent algorithms for POMDPs which are based on particle representations of belief states and an explicit search for action selection. Our approach enables scaling to large factored action spaces in addition to large state spaces and observation spaces. An experimental evaluation demonstrates that the algorithm provides excellent performance relative to state of the art in large POMDP problems.

The computational cost of training with softmax cross entropy loss grows linearly with the number of classes. For the settings where a large number of classes are involved, a common method to speed up training is to sample a subset of classes and utilize an estimate of the loss gradient based on these classes, known as the sampled softmax method. However, the sampled softmax provides a biased estimate of the gradient unless the samples are drawn from the exact softmax distribution, which is again expensive to compute. Therefore, a widely employed practical approach involves sampling from a simpler distribution in the hope of approximating the exact softmax distribution. In this paper, we develop the first theoretical understanding of the role that different sampling distributions play in determining the quality of sampled softmax. Motivated by our analysis and the work on kernel-based sampling, we propose the Random Fourier Softmax (RF-softmax) method that utilizes the powerful Random Fourier Features to enable more efficient and accurate sampling from an approximate softmax distribution. We show that RF-softmax leads to low bias in estimation in terms of both the full softmax distribution and the full softmax gradient. Furthermore, the cost of RF-softmax scales only logarithmically with the number of classes.

We propose Episodic Backward Update (EBU) – a novel deep reinforcement learning algorithm with a direct value propagation. In contrast to the conventional use of the experience replay with uniform random sampling, our agent samples a whole episode and successively propagates the value of a state to its previous states. Our computationally efficient recursive algorithm allows sparse and delayed rewards to propagate directly through all transitions of the sampled episode. We theoretically prove the convergence of the EBU method and experimentally demonstrate its performance in both deterministic and stochastic environments. Especially in 49 games of Atari 2600 domain, EBU achieves the same mean and median human normalized performance of DQN by using only 5% and 10% of samples, respectively.

We consider the problem of experimental design for learning causal graphs that have a tree structure. We propose an adaptive framework that determines the next intervention based on a Bayesian prior updated with the outcomes of previous experiments, focusing on the setting where observational data is cheap (assumed infinite) and interventional data is expensive. While information greedy approaches are popular in active learning, we show that in this setting they can be exponentially suboptimal (in the number of interventions required), and instead propose an algorithm that exploits graph structure in the form of a centrality measure. If infinite interventional data is available, we show that the algorithm requires a number of interventions less than or equal to a factor of 2 times the minimum achievable number. We show that the algorithm and the associated theory can be adapted to the setting where each performed intervention yields finitely many samples. Several extensions are also presented, to the case where a specified set of nodes cannot be intervened on, to the case where $K$ interventions are scheduled at once, and to the fully adaptive case where each experiment yields only one sample. In the case of finite interventional data, through simulated experiments we show that our algorithms outperform different adaptive baseline algorithms.

In the problem of learning mixtures of linear regressions, the goal is to learn a col-lection of signal vectors from a sequence of (possibly noisy) linear measurements,where each measurement is evaluated on an unknown signal drawn uniformly fromthis collection. This setting is quite expressive and has been studied both in termsof practical applications and for the sake of establishing theoretical guarantees. Inthis paper, we consider the case where the signal vectors aresparse; this generalizesthe popular compressed sensing paradigm. We improve upon the state-of-the-artresults as follows: In the noisy case, we resolve an open question of Yin et al. (IEEETransactions on Information Theory, 2019) by showing how to handle collectionsof more than two vectors and present the first robust reconstruction algorithm, i.e.,if the signals are not perfectly sparse, we still learn a good sparse approximationof the signals. In the noiseless case, as well as in the noisy case, we show how tocircumvent the need for a restrictive assumption required in the previous work. Ourtechniques are quite different from those in the previous work: for the noiselesscase, we rely on a property of sparse polynomials and for the noisy case, we providenew connections to learning Gaussian mixtures and use ideas from the theory of

For MCMC methods like Metropolis-Hastings, tuning the proposal distribution is important in practice for effective sampling from the target distribution \pi. In this paper, we present Sample Adaptive MCMC (SA-MCMC), a MCMC method based on a reversible Markov chain for \pi^{\otimes N} that uses an adaptive proposal distribution based on the current state of N points and a sequential substitution procedure with one new likelihood evaluation per iteration and at most one updated point each iteration. The SA-MCMC proposal distribution automatically adapts within its parametric family to best approximate the target distribution, so in contrast to many existing MCMC methods, SA-MCMC does not require any tuning of the proposal distribution. Instead, SA-MCMC only requires specifying the initial state of N points, which can often be chosen a priori, thereby automating the entire sampling procedure with no tuning required. Experimental results demonstrate the fast adaptation and effective sampling of SA-MCMC.

Overlapping clusters are common in models of many practical data-segmentation applications. Suppose we are given $n$ elements to be clustered into $k$ possibly overlapping clusters, and an oracle that can interactively answer queries of the form ``do elements $u$ and $v$ belong to the same cluster?'' The goal is to recover the clusters with minimum number of such queries. This problem has been of recent interest for the case of disjoint clusters. In this paper, we look at the more practical scenario of overlapping clusters, and provide upper bounds (with algorithms) on the sufficient number of queries. We provide algorithmic results under both arbitrary (worst-case) and statistical modeling assumptions. Our algorithms are parameter free, efficient, and work in the presence of random noise. We also derive information-theoretic lower bounds on the number of queries needed, proving that our algorithms are order optimal. Finally, we test our algorithms over both synthetic and real-world data, showing their practicality and effectiveness.

In interactive machine learning (IML), we iteratively make decisions and obtain noisy observations of an unknown function. While IML methods, e.g., Bayesian optimization and active learning, have been successful in applications, on real-world systems they must provably avoid unsafe decisions. To this end, safe IML algorithms must carefully learn about a priori unknown constraints without making unsafe decisions. Existing algorithms for this problem learn about the safety of all decisions to ensure convergence. This is sample-inefficient, as it explores decisions that are not relevant for the original IML objective. In this paper, we introduce a novel framework that renders any existing unsafe IML algorithm safe. Our method works as an add-on that takes suggested decisions as input and exploits regularity assumptions in terms of a Gaussian process prior in order to efficiently learn about their safety. As a result, we only explore the safe set when necessary for the IML problem. We apply our framework to safe Bayesian optimization and to safe exploration in deterministic Markov Decision Processes (MDP), which have been analyzed separately before. Our method outperforms other algorithms empirically.

Although deep convolutional neural networks achieve state-of-the-art performance across nearly all image classification tasks, their decisions are difficult to interpret. One approach that offers some level of interpretability by design is \textit{hard attention}, which uses only relevant portions of the image. However, training hard attention models with only class label supervision is challenging, and hard attention has proved difficult to scale to complex datasets. Here, we propose a novel hard attention model, which we term Saccader. Key to Saccader is a pretraining step that requires only class labels and provides initial attention locations for policy gradient optimization. Our best models narrow the gap to common ImageNet baselines, achieving $75\%$ top-1 and $91\%$ top-5 while attending to less than one-third of the image.

Capsule networks have been shown to be powerful models for image classification, thanks to their ability to represent and capture viewpoint variations of an object. However, the high computational complexity of capsule networks that stems from the recurrent dynamic routing poses a major drawback making their use for large-scale image classification challenging. In this work, we propose Star-Caps a capsule-based network that exploits a straight-through attentive routing to address the drawbacks of capsule networks. By utilizing attention modules augmented by differentiable binary routers, the proposed mechanism estimates the routing coefficients between capsules without recurrence, as opposed to prior related work. Subsequently, the routers utilize straight-through estimators to make binary decisions to either connect or disconnect the route between capsules, allowing stable and faster performance. The experiments conducted on several image classification datasets, including MNIST, SmallNorb, CIFAR-10, CIFAR-100, and ImageNet show that Star-Caps outperforms the baseline capsule networks.

We analyze stochastic gradient algorithms for optimizing nonconvex problems. In particular, our goal is to find local minima (second-order stationary points) instead of just finding first-order stationary points which may be some bad unstable saddle points. We show that a simple perturbed version of stochastic recursive gradient descent algorithm (called SSRGD) can find an $(\epsilon,\delta)$-second-order stationary point with $\widetilde{O}(\sqrt{n}/\epsilon^2 + \sqrt{n}/\delta^4 + n/\delta^3)$ stochastic gradient complexity for nonconvex finite-sum problems. As a by-product, SSRGD finds an $\epsilon$-first-order stationary point with $O(n+\sqrt{n}/\epsilon^2)$ stochastic gradients. These results are almost optimal since Fang et al. [2018] provided a lower bound $\Omega(\sqrt{n}/\epsilon^2)$ for finding even just an $\epsilon$-first-order stationary point. We emphasize that SSRGD algorithm for finding second-order stationary points is as simple as for finding first-order stationary points just by adding a uniform perturbation sometimes, while all other algorithms for finding second-order stationary points with similar gradient complexity need to combine with a negative-curvature search subroutine (e.g., Neon2 [Allen-Zhu and Li, 2018]). Moreover, the simple SSRGD algorithm gets a simpler analysis. Besides, we also extend our results from nonconvex finite-sum problems to nonconvex online (expectation) problems, and prove the corresponding convergence results.

We consider the task of mapping pseudocode to executable code, assuming a one-to-one correspondence between lines of pseudocode and lines of code. Given test cases as a mechanism to validate programs, we search over the space of possible translations of the pseudocode to find a program that compiles and passes the test cases. While performing a best-first search, compilation errors constitute 88.7% of program failures. To better guide this search, we learn to predict the line of the program responsible for the failure and focus search over alternative translations of the pseudocode for that line. For evaluation, we collected the SPoC dataset (Search-based Pseudocode to Code) containing 18,356 C++ programs with human-authored pseudocode and test cases. Under a budget of 100 program compilations, performing search improves the synthesis success rate over using the top-one translation of the pseudocode from 25.6% to 44.7%.