NeurIPS 2019 Papers

We consider the widely-used average-linkage, single-linkage, and Ward's methods for computing hierarchical clusterings of high-dimensional Euclidean inputs. It is easy to show that there is no efficient implementation of these algorithms in high dimensional Euclidean space since it implicitly requires to solve the closest pair problem, a notoriously difficult problem. However, how fast can these algorithms be implemented if we allow approximation? More precisely: these algorithms successively merge the clusters that are at closest average (for average-linkage), minimum distance (for single-linkage), or inducing the least sum-of-square error (for Ward's). We ask whether one could obtain a significant running-time improvement if the algorithm can merge $\gamma$-approximate closest clusters (namely, clusters that are at distance (average, minimum, or sum-of-square error) at most $\gamma$ times the distance of the closest clusters). We show that one can indeed take advantage of the relaxation and compute the approximate hierarchical clustering tree using $\widetilde{O}(n)$ $\gamma$-approximate nearest neighbor queries. This leads to an algorithm running in time $\widetilde{O}(nd) + n^{1+O(1/\gamma)}$ for $d$-dimensional Euclidean space. We then provide experiments showing that these algorithms perform as well as the non-approximate version for classic classification tasks while achieving a significant speed-up.

This paper considers submodular function minimization with \textit{noisy evaluation oracles} that return the function value of a submodular objective with zero-mean additive noise. For this problem, we provide an algorithm that returns an $O(n^{3/2}/\sqrt{T})$-additive approximate solution in expectation, where $n$ and $T$ stand for the size of the problem and the number of oracle calls, respectively. There is no room for reducing this error bound by a factor smaller than $O(1/\sqrt{n})$. Indeed, we show that any algorithm will suffer additive errors of $\Omega(n/\sqrt{T})$ in the worst case. Further, we consider an extended problem setting with \textit{multiple-point feedback} in which we can get the feedback of $k$ function values with each oracle call. Under the additional assumption that each noisy oracle is submodular and that $2 \leq k = O(1)$, we provide an algorithm with an $O(n/\sqrt{T})$-additive error bound as well as a worst-case analysis including a lower bound of $\Omega(n/\sqrt{T})$, which together imply that the algorithm achieves an optimal error bound up to a constant.

Synaptic plasticity is widely accepted to be the mechanism behind learning in the brain’s neural networks. A central question is how synapses, with access to only local information about the network, can still organize collectively and perform circuit-wide learning in an efficient manner. In single-layered and all-to-all connected neural networks, local plasticity has been shown to implement gradient-based learning on a class of cost functions that contain a term that aligns the similarity of outputs to the similarity of inputs. Whether such cost functions exist for networks with other architectures is not known. In this paper, we introduce structured and deep similarity matching cost functions, and show how they can be optimized in a gradient-based manner by neural networks with local learning rules. These networks extend F\"oldiak’s Hebbian/Anti-Hebbian network to deep architectures and structured feedforward, lateral and feedback connections. Credit assignment problem is solved elegantly by a factorization of the dual learning objective to synapse specific local objectives. Simulations show that our networks learn meaningful features.

We propose a scalable framework for inference in a continuous sigmoidal Cox process that assumes the corresponding intensity function is given by a Gaussian process (GP) prior transformed with a scaled logistic sigmoid function. We present a tractable representation of the likelihood through augmentation with a superposition of Poisson processes. This view enables a structured variational approximation capturing dependencies across variables in the model. Our framework avoids discretization of the domain, does not require accurate numerical integration over the input space and is not limited to GPs with squared exponential kernels. We evaluate our approach on synthetic and real-world data showing that its benefits are particularly pronounced on multivariate input settings where it overcomes the limitations of mean-field methods and sampling schemes. We provide the state of-the-art in terms of speed, accuracy and uncertainty quantification trade-offs.

We propose in this paper a general framework for deriving loss functions for structured prediction. In our framework, the user chooses a convex set including the output space and provides an oracle for projecting onto that set. Given that oracle, our framework automatically generates a corresponding convex and smooth loss function. As we show, adding a projection as output layer provably makes the loss smaller. We identify the marginal polytope, the output space's convex hull, as the best convex set on which to project. However, because the projection onto the marginal polytope can sometimes be expensive to compute, we allow to use any convex superset instead, with potentially cheaper-to-compute projection. Since efficient projection algorithms are available for numerous convex sets, this allows us to construct loss functions for a variety of tasks. On the theoretical side, when combined with calibrated decoding, we prove that our loss functions can be used as a consistent surrogate for a (potentially non-convex) target loss function of interest. We demonstrate our losses on label ranking, ordinal regression and multilabel classification, confirming the improved accuracy enabled by projections.

Learning a graph with a specific structure is essential for interpretability and identification of the relationships among data. But structured graph learning from observed samples is an NP-hard combinatorial problem. In this paper, we first show, for a set of important graph families it is possible to convert the combinatorial constraints of structure into eigenvalue constraints of the graph Laplacian matrix. Then we introduce a unified graph learning framework lying at the integration of the spectral properties of the Laplacian matrix with Gaussian graphical modeling, which is capable of learning structures of a large class of graph families. The proposed algorithms are provably convergent and practically amenable for big-data specific tasks. Extensive numerical experiments with both synthetic and real datasets demonstrate the effectiveness of the proposed methods. An R package containing codes for all the experimental results is submitted as a supplementary file.

Graphical models encode the stochastic dependencies among random variables (RVs). The vertices represent the RVs, and the edges signify the conditional dependencies among the RVs. Structure learning is the process of inferring the edges by observing realizations of the RVs, and it has applications in a wide range of technological, social, and biological networks. Learning the structure of graphs when the vertices are treated in isolation from inferential information known about them is well-investigated. In a wide range of domains, however, often there exist additional inferred knowledge about the structure, which can serve as valuable side information. For instance, the gene networks that represent different subtypes of the same cancer share similar edges across all subtypes and also have exclusive edges corresponding to each subtype, rendering partially similar graphical models for gene expression in different cancer subtypes. Hence, an inferential decision regarding a gene network can serve as side information for inferring other related gene networks. When such side information is leveraged judiciously, it can translate to significant improvement in structure learning. Leveraging such side information can be abstracted as inferring structures of distinct graphical models that are {\sl partially} similar. This paper focuses on Ising graphical models, and considers the problem of simultaneously learning the structures of two {\sl partially} similar graphs, where any inference about the structure of one graph offers side information for the other graph. The bounded edge subclass of Ising models is considered, and necessary conditions (information-theoretic ), as well as sufficient conditions (algorithmic) for the sample complexity for achieving a bounded probability of error, are established. Furthermore, specific regimes are identified in which the necessary and sufficient conditions coincide, rendering the optimal sample complexity.

A key challenge in crowdsourcing is inferring the ground truth from noisy and unreliable data. To do so, existing approaches rely on collecting redundant information from the crowd, and aggregating it with some probabilistic method. However, oftentimes such methods are computationally inefficient, are restricted to some specific settings, or lack theoretical guarantees. In this paper, we revisit the problem of binary classification from crowdsourced data. Specifically we propose Streaming Bayesian Inference for Crowdsourcing (SBIC), a new algorithm that does not suffer from any of these limitations. First, SBIC has low complexity and can be used in a real-time online setting. Second, SBIC has the same accuracy as the best state-of-the-art algorithms in all settings. Third, SBIC has provable asymptotic guarantees both in the online and offline settings.

How should a player who repeatedly plays a game against a no-regret learner strategize to maximize his utility? We study this question and show that under some mild assumptions, the player can always guarantee himself a utility of at least what he would get in a Stackelberg equilibrium. When the no-regret learner has only two actions, we show that the player cannot get any higher utility than the Stackelberg equilibrium utility. But when the no-regret learner has more than two actions and plays a mean-based no-regret strategy, we show that the player can get strictly higher than the Stackelberg equilibrium utility. We construct the optimal game-play for the player against a mean-based no-regret learner who has three actions. When the no-regret learner's strategy also guarantees him a no-swap regret, we show that the player cannot get anything higher than a Stackelberg equilibrium utility.

We consider a generic empirical composition optimization problem, where there are empirical averages present both outside and inside nonlinear loss functions. Such a problem is of interest in various machine learning applications, and cannot be directly solved by standard methods such as stochastic gradient descent (SGD). We take a novel approach to solving this problem by reformulating the original minimization objective into an equivalent min-max objective, which brings out all the empirical averages that are originally inside the nonlinear loss functions. We exploit the rich structures of the reformulated problem and develop a stochastic primal-dual algorithms, SVRPDA-I, to solve the problem efficiently. We carry out extensive theoretical analysis of the proposed algorithm, obtaining the convergence rate, the total computation complexity and the storage complexity. In particular, the algorithm is shown to converge at a linear rate when the problem is strongly convex. Moreover, we also develop an approximate version of the algorithm, named SVRPDA-II, which further reduces the memory requirement. Finally, we evaluate the performance of our algorithms on several real-world benchmarks and experimental results show that they significantly outperform existing techniques.

In deep neural nets, lower level embedding layers account for a large portion of the total number of parameters. Tikhonov regularization, graph-based regularization, and hard parameter sharing are approaches that introduce explicit biases into training in a hope to reduce statistical complexity. Alternatively, we propose stochastically shared embeddings (SSE), a data-driven approach to regularizing embedding layers, which stochastically transitions between embeddings during stochastic gradient descent (SGD). Because SSE integrates seamlessly with existing SGD algorithms, it can be used with only minor modifications when training large scale neural networks. We develop two versions of SSE: SSE-Graph using knowledge graphs of embeddings; SSE-SE using no prior information. We provide theoretical guarantees for our method and show its empirical effectiveness on 6 distinct tasks, from simple neural networks with one hidden layer in recommender systems, to the transformer and BERT in natural languages. We find that when used along with widely-used regularization methods such as weight decay and dropout, our proposed SSE can further reduce overfitting, which often leads to more favorable generalization results.

Sampling with Markov chain Monte Carlo methods typically amounts to discretizing some continuous-time dynamics with numerical integration. In this paper, we establish the convergence rate of sampling algorithms obtained by discretizing smooth It\^o diffusions exhibiting fast $2$-Wasserstein contraction, based on local deviation properties of the integration scheme. In particular, we study a sampling algorithm constructed by discretizing the overdamped Langevin diffusion with the method of stochastic Runge-Kutta. For strongly convex potentials that are smooth up to a certain order, its iterates converge to the target distribution in $2$-Wasserstein distance in $\tilde{\mathcal{O}}(d\epsilon^{-2/3})$ iterations. This improves upon the best-known rate for strongly log-concave sampling based on the overdamped Langevin equation using only the gradient oracle without adjustment. Additionally, we extend our analysis of stochastic Runge-Kutta methods to uniformly dissipative diffusions with possibly non-convex potentials and show they achieve better rates compared to the Euler-Maruyama scheme on the dependence on tolerance $\epsilon$. Numerical studies show that these algorithms lead to better stability and lower asymptotic errors.

We propose a new algorithm---Stochastic Proximal Langevin Algorithm (SPLA)---for sampling from a log concave distribution. Our method is a generalization of the Langevin algorithm to potentials expressed as the sum of one stochastic smooth term and multiple stochastic nonsmooth terms. In each iteration, our splitting technique only requires access to a stochastic gradient of the smooth term and a stochastic proximal operator for each of the nonsmooth terms. We establish nonasymptotic sublinear and linear convergence rates under convexity and strong convexity of the smooth term, respectively, expressed in terms of the KL divergence and Wasserstein distance. We illustrate the efficiency of our sampling technique through numerical simulations on a Bayesian learning task.

Stochastic Gradient Hamiltonian Monte Carlo (SGHMC) algorithms have received increasing attention in both theory and practice. In this paper, we propose a Stochastic Recursive Variance-Reduced gradient HMC (SRVR-HMC) algorithm. It makes use of a semi-stochastic gradient estimator that recursively accumulates the gradient information to reduce the variance of the stochastic gradient. We provide a convergence analysis of SRVR-HMC for sampling from a class of non-log-concave distributions and show that SRVR-HMC converges faster than all existing HMC-type algorithms based on underdamped Langevin dynamics. Thorough experiments on synthetic and real-world datasets validate our theory and demonstrate the superiority of SRVR-HMC.

A broad class of convex optimization problems can be formulated as a semidefinite program (SDP), minimization of a convex function over the positive-semidefinite cone subject to some affine constraints. The majority of classical SDP solvers are designed for the deterministic setting where problem data is readily available. In this setting, generalized conditional gradient methods (aka Frank-Wolfe-type methods) provide scalable solutions by leveraging the so-called linear minimization oracle instead of the projection onto the semidefinite cone. Most problems in machine learning and modern engineering applications, however, contain some degree of stochasticity. In this work, we propose the first conditional-gradient-type method for solving stochastic optimization problems under affine constraints. Our method guarantees O(k^{-1/3}) convergence rate in expectation on the objective residual and O(k^{-5/12}) on the feasibility gap.

In this paper, we develop \scg~(\text{SCG}{$++$}), the first efficient variant of a conditional gradient method for maximizing a continuous submodular function subject to a convex constraint. Concretely, for a monotone and continuous DR-submodular function, \SCGPP achieves a tight $[(1-1/e)\OPT -\epsilon]$ solution while using $O(1/\epsilon^2)$ stochastic gradients and $O(1/\epsilon)$ calls to the linear optimization oracle. The best previously known algorithms either achieve a suboptimal $[(1/2)\OPT -\epsilon]$ solution with $O(1/\epsilon^2)$ stochastic gradients or the tight $[(1-1/e)\OPT -\epsilon]$ solution with suboptimal $O(1/\epsilon^3)$ stochastic gradients. We further provide an information-theoretic lower bound to showcase the necessity of $\OM({1}/{\epsilon^2})$ stochastic oracle queries in order to achieve $[(1-1/e)\OPT -\epsilon]$ for monotone and DR-submodular functions. This result shows that our proposed \SCGPP enjoys optimality in terms of both approximation guarantee, i.e., $(1-1/e)$ approximation factor, and stochastic gradient evaluations, i.e., $O(1/\epsilon^2)$ calls to the stochastic oracle. By using stochastic continuous optimization as an interface, we also show that it is possible to obtain the $[(1-1/e)\OPT-\epsilon]$ tight approximation guarantee for maximizing a monotone but stochastic submodular set function subject to a general matroid constraint after at most $\mathcal{O}(n^2/\epsilon^2)$ calls to the stochastic function value, where $n$ is the number of elements in the ground set.

We introduce a stochastic contextual bandit model where at each time step the environment chooses a distribution over a context set and samples the context from this distribution. The learner observes only the context distribution while the exact context realization remains hidden. This allows for a broad range of applications where the context is stochastic or when the learner needs to predict the context. We leverage the UCB algorithm to this setting and show that it achieves an order-optimal high-probability bound on the cumulative regret for linear and kernelized reward functions. Our results strictly generalize previous work in the sense that both our model and the algorithm reduce to the standard setting when the environment chooses only Dirac delta distributions and therefore provides the exact context to the learner. We further analyze a variant where the learner observes the realized context after choosing the action. Finally, we demonstrate the proposed method on synthetic and real-world datasets.

Stein variational gradient descent (SVGD) is a particle-based inference algorithm that leverages gradient information for efficient approximate inference. In this work, we enhance SVGD by leveraging preconditioning matrices, such as the Hessian and Fisher information matrix, to incorporate geometric information into SVGD updates. We achieve this by presenting a generalization of SVGD that replaces the scalar-valued kernels in vanilla SVGD with more general matrix-valued kernels. This yields a significant extension of SVGD, and more importantly, allows us to flexibly incorporate various preconditioning matricesto accelerate the exploration in the probability landscape. Empirical results show that our method outperforms vanilla SVGD and a variety of baseline approaches over a range of real-world Bayesian inference tasks.

From traditional Web search engines to virtual assistants and Web accelerators, services that rely on online information need to continually keep track of remote content changes by explicitly requesting content updates from remote sources (e.g., web pages). We propose a novel optimization objective for this setting that has several practically desirable properties, and efficient algorithms for it with optimality guarantees even in the face of mixed content change observability and initially unknown change model parameters. Experiments on 18.5M URLs crawled daily for 14 weeks show significant advantages of this approach over prior art.