NeurIPS 2017 Papers

We study the estimation of the latent variable Gaussian graphical model (LVGGM), where the precision matrix is the superposition of a sparse matrix and a low-rank matrix. In order to speed up the estimation of the sparse plus low-rank components, we propose a sparsity constrained maximum likelihood estimator based on matrix factorization and an efficient alternating gradient descent algorithm with hard thresholding to solve it. Our algorithm is orders of magnitude faster than the convex relaxation based methods for LVGGM. In addition, we prove that our algorithm is guaranteed to linearly converge to the unknown sparse and low-rank components up to the optimal statistical precision. Experiments on both synthetic and genomic data demonstrate the superiority of our algorithm over the state-of-the-art algorithms and corroborate our theory.

This paper presents a margin-based multiclass generalization bound for neural networks that scales with their margin-normalized "spectral complexity": their Lipschitz constant, meaning the product of the spectral norms of the weight matrices, times a certain correction factor. This bound is empirically investigated for a standard AlexNet network trained with SGD on the MNIST and CIFAR10 datasets, with both original and random labels; the bound, the Lipschitz constants, and the excess risks are all in direct correlation, suggesting both that SGD selects predictors whose complexity scales with the difficulty of the learning task, and secondly that the presented bound is sensitive to this complexity.

Early approaches to multiple-output Gaussian processes (MOGPs) relied on linear combinations of independent, latent, single-output Gaussian processes (GPs). This resulted in cross-covariance functions with limited parametric interpretation, thus conflicting with the ability of single-output GPs to understand lengthscales, frequencies and magnitudes to name a few. On the contrary, current approaches to MOGP are able to better interpret the relationship between different channels by directly modelling the cross-covariances as a spectral mixture kernel with a phase shift. We extend this rationale and propose a parametric family of complex-valued cross-spectral densities and then build on Cramér's Theorem (the multivariate version of Bochner's Theorem) to provide a principled approach to design multivariate covariance functions. The so-constructed kernels are able to model delays among channels in addition to phase differences and are thus more expressive than previous methods, while also providing full parametric interpretation of the relationship across channels. The proposed method is first validated on synthetic data and then compared to existing MOGP methods on two real-world examples.

Cell assemblies, originally proposed by Donald Hebb (1949), are subsets of neurons firing in a temporally coordinated way that gives rise to repeated motifs supposed to underly neural representations and information processing. Although Hebb's original proposal dates back many decades, the detection of assemblies and their role in coding is still an open and current research topic, partly because simultaneous recordings from large populations of neurons became feasible only relatively recently. Most current and easy-to-apply computational techniques focus on the identification of strictly synchronously spiking neurons. In this paper we propose a new algorithm, based on sparse convolutional coding, for detecting recurrent motifs of arbitrary structure up to a given length. Testing of our algorithm on synthetically generated datasets shows that it outperforms established methods and accurately identifies the temporal structure of embedded assemblies, even when these contain overlapping neurons or when strong background noise is present. Moreover, exploratory analysis of experimental datasets from hippocampal slices and cortical neuron cultures have provided promising results.

The $k$-means clustering algorithm is a ubiquitous tool in data mining and machine learning that shows promising performance. However, its high computational cost has hindered its applications in broad domains. Researchers have successfully addressed these obstacles with dimensionality reduction methods. Recently, [1] develop a state-of-the-art random projection (RP) method for faster $k$-means clustering. Their method delivers many improvements over other dimensionality reduction methods. For example, compared to the advanced singular value decomposition based feature extraction approach, [1] reduce the running time by a factor of $\min \{n,d\}\epsilon^2 log(d)/k$ for data matrix $X \in \mathbb{R}^{n\times d} $ with $n$ data points and $d$ features, while losing only a factor of one in approximation accuracy. Unfortunately, they still require $\mathcal{O}(\frac{ndk}{\epsilon^2log(d)})$ for matrix multiplication and this cost will be prohibitive for large values of $n$ and $d$. To break this bottleneck, we carefully build a sparse embedded $k$-means clustering algorithm which requires $\mathcal{O}(nnz(X))$ ($nnz(X)$ denotes the number of non-zeros in $X$) for fast matrix multiplication. Moreover, our proposed algorithm improves on [1]'s results for approximation accuracy by a factor of one. Our empirical studies corroborate our theoretical findings, and demonstrate that our approach is able to significantly accelerate $k$-means clustering, while achieving satisfactory clustering performance.

We consider the problem of computing a restricted nonnegative matrix factorization (NMF) of an m\times n matrix X. Specifically, we seek a factorization X\approx BC, where the k columns of B are a subset of those from X and C\in\Re_{\geq 0}^{k\times n}. Equivalently, given the matrix X, consider the problem of finding a small subset, S, of the columns of X such that the conic hull of S \eps-approximates the conic hull of the columns of X, i.e., the distance of every column of X to the conic hull of the columns of S should be at most an \eps-fraction of the angular diameter of X. If k is the size of the smallest \eps-approximation, then we produce an O(k/\eps^{2/3}) sized O(\eps^{1/3})-approximation, yielding the first provable, polynomial time \eps-approximation for this class of NMF problems, where also desirably the approximation is independent of n and m. Furthermore, we prove an approximate conic Carathéodory theorem, a general sparsity result, that shows that any column of X can be \eps-approximated with an O(1/\eps^2) sparse combination from S. Our results are facilitated by a reduction to the problem of approximating convex hulls, and we prove that both the convex and conic hull variants are d-sum-hard, resolving an open problem. Finally, we provide experimental results for the convex and conic algorithms on a variety of feature selection tasks.

This paper deals with finding an $n$-dimensional solution $\bm{x}$ to a system of quadratic equations $y_i=|\langle\bm{a}_i,\bm{x}\rangle|^2$, $1\le i \le m$, which in general is known to be NP-hard. We put forth a novel procedure, that starts with a \emph{weighted maximal correlation initialization} obtainable with a few power iterations, followed by successive refinements based on \emph{iteratively reweighted gradient-type iterations}. The novel techniques distinguish themselves from prior works by the inclusion of a fresh (re)weighting regularization. For certain random measurement models, the proposed procedure returns the true solution $\bm{x}$ with high probability in time proportional to reading the data $\{(\bm{a}_i;y_i)\}_{1\le i \le m}$, provided that the number $m$ of equations is some constant $c>0$ times the number $n$ of unknowns, that is, $m\ge cn$. Empirically, the upshots of this contribution are: i) perfect signal recovery in the high-dimensional regime given only an \emph{information-theoretic limit number} of equations; and, ii) (near-)optimal statistical accuracy in the presence of additive noise. Extensive numerical tests using both synthetic data and real images corroborate its improved signal recovery performance and computational efficiency relative to state-of-the-art approaches.

We introduce a solid harmonic wavelet scattering representation, invariant to rigid motion and stable to deformations, for regression and classification of 2D and 3D signals. Solid harmonic wavelets are computed by multiplying solid harmonic functions with Gaussian windows dilated at different scales. Invariant scattering coefficients are obtained by cascading such wavelet transforms with the complex modulus nonlinearity. We study an application of solid harmonic scattering invariants to the estimation of quantum molecular energies, which are also invariant to rigid motion and stable with respect to deformations. A multilinear regression over scattering invariants provides close to state of the art results over small and large databases of organic molecules.

We present a new approach to learn compressible representations in deep architectures with an end-to-end training strategy. Our method is based on a soft (continuous) relaxation of quantization and entropy, which we anneal to their discrete counterparts throughout training. We showcase this method for two challenging applications: Image compression and neural network compression. While these tasks have typically been approached with different methods, our soft-to-hard quantization approach gives results competitive with the state-of-the-art for both.

At the heart of deep learning we aim to use neural networks as function approximators - training them to produce outputs from inputs in emulation of a ground truth function or data creation process. In many cases we only have access to input-output pairs from the ground truth, however it is becoming more common to have access to derivatives of the target output with respect to the input -- for example when the ground truth function is itself a neural network such as in network compression or distillation. Generally these target derivatives are not computed, or are ignored. This paper introduces Sobolev Training for neural networks, which is a method for incorporating these target derivatives in addition the to target values while training. By optimising neural networks to not only approximate the function’s outputs but also the function’s derivatives we encode additional information about the target function within the parameters of the neural network. Thereby we can improve the quality of our predictors, as well as the data-efficiency and generalization capabilities of our learned function approximation. We provide theoretical justifications for such an approach as well as examples of empirical evidence on three distinct domains: regression on classical optimisation datasets, distilling policies of an agent playing Atari, and on large-scale applications of synthetic gradients. In all three domains the use of Sobolev Training, employing target derivatives in addition to target values, results in models with higher accuracy and stronger generalisation.

We propose a new randomized coordinate descent method for a convex optimization template with broad applications. Our analysis relies on a novel combination of four ideas applied to the primal-dual gap function: smoothing, acceleration, homotopy, and coordinate descent with non-uniform sampling. As a result, our method features the first convergence rate guarantees among the coordinate descent methods, that are the best-known under a variety of common structure assumptions on the template. We provide numerical evidence to support the theoretical results with a comparison to state-of-the-art algorithms.

Random projections have been increasingly adopted for a diverse set of tasks in machine learning involving dimensionality reduction. One specific line of research on this topic has investigated the use of quantization subsequent to projection with the aim of additional data compression. Motivated by applications in nearest neighbor search and linear learning, we revisit the problem of recovering inner products (respectively cosine similarities) in such setting. We show that even under coarse scalar quantization with 3 to 5 bits per projection, the loss in accuracy tends to range from

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.

The {\L}ojasiewicz inequality shows that H\"olderian error bounds on the minimum of convex optimization problems hold almost generically. Here, we clarify results of \citet{Nemi85} who show that H\"olderian error bounds directly controls the performance of restart schemes. The constants quantifying error bounds are of course unobservable, but we show that optimal restart strategies are robust, and searching for the best scheme only increases the complexity by a logarithmic factor compared to the optimal bound. Overall then, restart schemes generically accelerate accelerated methods.

Hearing an object falling onto the ground, humans can recover rich information including its rough shape, material, and falling height. In this paper, we build machines to approximate such competency. We first mimic human knowledge of the physical world by building an efficient, physics-based simulation engine. Then, we present an analysis-by-synthesis approach to infer properties of the falling object. We further accelerate the process by learning a mapping from a sound wave to object properties, and using the predicted values to initialize the inference. This mapping can be viewed as an approximation of human commonsense learned from past experience. Our model performs well on both synthetic audio clips and real recordings without requiring any annotated data. We conduct behavior studies to compare human responses with ours on estimating object shape, material, and falling height from sound. Our model achieves near-human performance.

Deep reinforcement learning (DRL) methods such as the Deep Q-Network (DQN) have achieved state-of-the-art results in a variety of challenging, high-dimensional domains. This success is mainly attributed to the power of deep neural networks to learn rich domain representations for approximating the value function or policy. Batch reinforcement learning methods with linear representations, on the other hand, are more stable and require less hyper parameter tuning. Yet, substantial feature engineering is necessary to achieve good results. In this work we propose a hybrid approach -- the Least Squares Deep Q-Network (LS-DQN), which combines rich feature representations learned by a DRL algorithm with the stability of a linear least squares method. We do this by periodically re-training the last hidden layer of a DRL network with a batch least squares update. Key to our approach is a Bayesian regularization term for the least squares update, which prevents over-fitting to the more recent data. We tested LS-DQN on five Atari games and demonstrate significant improvement over vanilla DQN and Double-DQN. We also investigated the reasons for the superior performance of our method. Interestingly, we found that the performance improvement can be attributed to the large batch size used by the LS method when optimizing the last layer.

Source coding is the canonical problem of data compression in information theory. In a locally encodable source coding, each compressed bit depends on only few bits of the input. In this paper, we show that a recently popular model of semisupervised clustering is equivalent to locally encodable source coding. In this model, the task is to perform multiclass labeling of unlabeled elements. At the beginning, we can ask in parallel a set of simple queries to an oracle who provides (possibly erroneous) binary answers to the queries. The queries cannot involve more than two (or a fixed constant number $\Delta$ of) elements. Now the labeling of all the elements (or clustering) must be performed based on the (noisy) query answers. The goal is to recover all the correct labelings while minimizing the number of such queries. The equivalence to locally encodable source codes leads us to find lower bounds on the number of queries required in variety of scenarios. We are also able to show fundamental limitations of pairwise `same cluster' queries - and propose pairwise AND queries, that provably performs better in many situations.

Semi-supervised learning methods using Generative adversarial networks (GANs) have shown promising empirical success recently. Most of these methods use a shared discriminator/classifier which discriminates real examples from fake while also predicting the class label. Motivated by the ability of the GANs generator to capture the data manifold well, we propose to estimate the tangent space to the data manifold using GANs and employ it to inject invariances into the classifier. In the process, we propose enhancements over existing methods for learning the inverse mapping (i.e., the encoder) which greatly improves in terms of semantic similarity of the reconstructed sample with the input sample. We observe considerable empirical gains in semi-supervised learning over baselines, particularly in the cases when the number of labeled examples is low. We also provide insights into how fake examples influence the semi-supervised learning procedure.

Convolutional neural networks (CNNs) have recently been applied to the optical flow estimation problem. As training the CNNs requires sufficiently large ground truth training data, existing approaches resort to synthetic, unrealistic datasets. On the other hand, unsupervised methods are capable of leveraging real-world videos for training where the ground truth flow fields are not available. These methods, however, rely on the fundamental assumptions of brightness constancy and spatial smoothness priors which do not hold near motion boundaries. In this paper, we propose to exploit unlabeled videos for semi-supervised learning of optical flow with a Generative Adversarial Network. Our key insight is that the adversarial loss can capture the structural patterns of flow warp errors without making explicit assumptions. Extensive experiments on benchmark datasets demonstrate that the proposed semi-supervised algorithm performs favorably against purely supervised and semi-supervised learning schemes.