NeurIPS 2016 Papers

Reasoning about objects, relations, and physics is central to human intelligence, and a key goal of artificial intelligence. Here we introduce the interaction network, a model which can reason about how objects in complex systems interact, supporting dynamical predictions, as well as inferences about the abstract properties of the system. Our model takes graphs as input, performs object- and relation-centric reasoning in a way that is analogous to a simulation, and is implemented using deep neural networks. We evaluate its ability to reason about several challenging physical domains: n-body problems, rigid-body collision, and non-rigid dynamics. Our results show it can be trained to accurately simulate the physical trajectories of dozens of objects over thousands of time steps, estimate abstract quantities such as energy, and generalize automatically to systems with different numbers and configurations of objects and relations. Our interaction network implementation is the first general-purpose, learnable physics engine, and a powerful general framework for reasoning about object and relations in a wide variety of complex real-world domains.

Modern discriminative predictors have been shown to match natural intelligences in specific perceptual tasks in image classification, object and part detection, boundary extraction, etc. However, a major advantage that natural intelligences still have is that they work well for all perceptual problems together, solving them efficiently and coherently in an integrated manner. In order to capture some of these advantages in machine perception, we ask two questions: whether deep neural networks can learn universal image representations, useful not only for a single task but for all of them, and how the solutions to the different tasks can be integrated in this framework. We answer by proposing a new architecture, which we call multinet, in which not only deep image features are shared between tasks, but where tasks can interact in a recurrent manner by encoding the results of their analysis in a common shared representation of the data. In this manner, we show that the performance of individual tasks in standard benchmarks can be improved first by sharing features between them and then, more significantly, by integrating their solutions in the common representation.

This paper describes InfoGAN, an information-theoretic extension to the Generative Adversarial Network that is able to learn disentangled representations in a completely unsupervised manner. InfoGAN is a generative adversarial network that also maximizes the mutual information between a small subset of the latent variables and the observation. We derive a lower bound to the mutual information objective that can be optimized efficiently, and show that our training procedure can be interpreted as a variation of the Wake-Sleep algorithm. Specifically, InfoGAN successfully disentangles writing styles from digit shapes on the MNIST dataset, pose from lighting of 3D rendered images, and background digits from the central digit on the SVHN dataset. It also discovers visual concepts that include hair styles, presence/absence of eyeglasses, and emotions on the CelebA face dataset. Experiments show that InfoGAN learns interpretable representations that are competitive with representations learned by existing fully supervised methods.

The correlation between events is ubiquitous and important for temporal events modelling. In many cases, the correlation exists between not only events' emitted observations, but also their arrival times. State space models (e.g., hidden Markov model) and stochastic interaction point process models (e.g., Hawkes process) have been studied extensively yet separately for the two types of correlations in the past. In this paper, we propose a Bayesian nonparametric approach that considers both types of correlations via unifying and generalizing hidden semi-Markov model and interaction point process model. The proposed approach can simultaneously model both the observations and arrival times of temporal events, and determine the number of latent states from data. A Metropolis-within-particle-Gibbs sampler with ancestor resampling is developed for efficient posterior inference. The approach is tested on both synthetic and real-world data with promising outcomes.

Behavioral experiments on humans and animals suggest that the brain performs probabilistic inference to interpret its environment. Here we present a new general-purpose, biologically-plausible neural implementation of approximate inference. The neural network represents uncertainty using Probabilistic Population Codes (PPCs), which are distributed neural representations that naturally encode probability distributions, and support marginalization and evidence integration in a biologically-plausible manner. By connecting multiple PPCs together as a probabilistic graphical model, we represent multivariate probability distributions. Approximate inference in graphical models can be accomplished by message-passing algorithms that disseminate local information throughout the graph. An attractive and often accurate example of such an algorithm is Loopy Belief Propagation (LBP), which uses local marginalization and evidence integration operations to perform approximate inference efficiently even for complex models. Unfortunately, a subtle feature of LBP renders it neurally implausible. However, LBP can be elegantly reformulated as a sequence of Tree-based Reparameterizations (TRP) of the graphical model. We re-express the TRP updates as a nonlinear dynamical system with both fast and slow timescales, and show that this produces a neurally plausible solution. By combining all of these ideas, we show that a network of PPCs can represent multivariate probability distributions and implement the TRP updates to perform probabilistic inference. Simulations with Gaussian graphical models demonstrate that the neural network inference quality is comparable to the direct evaluation of LBP and robust to noise, and thus provides a promising mechanism for general probabilistic inference in the population codes of the brain.

Recent work on scaling up Gaussian process regression (GPR) to large datasets has primarily focused on sparse GPR, which leverages a small set of basis functions to approximate the full Gaussian process during inference. However, the majority of these approaches are batch methods that operate on the entire training dataset at once, precluding the use of datasets that are streaming or too large to fit into memory. Although previous work has considered incrementally solving variational sparse GPR, most algorithms fail to update the basis functions and therefore perform suboptimally. We propose a novel incremental learning algorithm for variational sparse GPR based on stochastic mirror ascent of probability densities in reproducing kernel Hilbert space. This new formulation allows our algorithm to update basis functions online in accordance with the manifold structure of probability densities for fast convergence. We conduct several experiments and show that our proposed approach achieves better empirical performance in terms of prediction error than the recent state-of-the-art incremental solutions to variational sparse GPR.

Recognizing facial action units (AUs) from spontaneous facial expressions is still a challenging problem. Most recently, CNNs have shown promise on facial AU recognition. However, the learned CNNs are often overfitted and do not generalize well to unseen subjects due to limited AU-coded training images. We proposed a novel Incremental Boosting CNN (IB-CNN) to integrate boosting into the CNN via an incremental boosting layer that selects discriminative neurons from the lower layer and is incrementally updated on successive mini-batches. In addition, a novel loss function that accounts for errors from both the incremental boosted classifier and individual weak classifiers was proposed to fine-tune the IB-CNN. Experimental results on four benchmark AU databases have demonstrated that the IB-CNN yields significant improvement over the traditional CNN and the boosting CNN without incremental learning, as well as outperforming the state-of-the-art CNN-based methods in AU recognition. The improvement is more impressive for the AUs that have the lowest frequencies in the databases.

We present the first application of the median of means in a PAC exploration algorithm for MDPs. Using the median of means allows us to significantly reduce the dependence of our bounds on the range of values that the value function can take, while introducing a dependence on the (potentially much smaller) variance of the Bellman operator. Additionally, our algorithm is the first algorithm with PAC bounds that can be applied to MDPs with unbounded rewards.

The framework of normalizing flows provides a general strategy for flexible variational inference of posteriors over latent variables. We propose a new type of normalizing flow, inverse autoregressive flow (IAF), that, in contrast to earlier published flows, scales well to high-dimensional latent spaces. The proposed flow consists of a chain of invertible transformations, where each transformation is based on an autoregressive neural network. In experiments, we show that IAF significantly improves upon diagonal Gaussian approximate posteriors. In addition, we demonstrate that a novel type of variational autoencoder, coupled with IAF, is competitive with neural autoregressive models in terms of attained log-likelihood on natural images, while allowing significantly faster synthesis.

We present a variety of new architectural features and training procedures that we apply to the generative adversarial networks (GANs) framework. Using our new techniques, we achieve state-of-the-art results in semi-supervised classification on MNIST, CIFAR-10 and SVHN. The generated images are of high quality as confirmed by a visual Turing test: Our model generates MNIST samples that humans cannot distinguish from real data, and CIFAR-10 samples that yield a human error rate of 21.3%. We also present ImageNet samples with unprecedented resolution and show that our methods enable the model to learn recognizable features of ImageNet classes.

We propose a new oracle-based algorithm, BISTRO+, for the adversarial contextual bandit problem, where either contexts are drawn i.i.d. or the sequence of contexts is known a priori, but where the losses are picked adversarially. Our algorithm is computationally efficient, assuming access to an offline optimization oracle, and enjoys a regret of order $O((KT)^{\frac{2}{3}}(\log N)^{\frac{1}{3}})$, where $K$ is the number of actions, $T$ is the number of iterations, and $N$ is the number of baseline policies. Our result is the first to break the $O(T^{\frac{3}{4}})$ barrier achieved by recent algorithms, which was left as a major open problem. Our analysis employs the recent relaxation framework of (Rakhlin and Sridharan, ICML'16).

Estimating optimal phylogenetic trees or hierarchical clustering trees from metric data is an important problem in evolutionary biology and data analysis. Intuitively, the goodness-of-fit of a metric space to a tree depends on its inherent treeness, as well as other metric properties such as intrinsic dimension. Existing algorithms for embedding metric spaces into tree metrics provide distortion bounds depending on cardinality. Because cardinality is a simple property of any set, we argue that such bounds do not fully capture the rich structure endowed by the metric. We consider an embedding of a metric space into a tree proposed by Gromov. By proving a stability result, we obtain an improved additive distortion bound depending only on the hyperbolicity and doubling dimension of the metric. We observe that Gromov's method is dual to the well-known single linkage hierarchical clustering (SLHC) method. By means of this duality, we are able to transport our results to the setting of SLHC, where such additive distortion bounds were previously unknown.

Dropout has been witnessed with great success in training deep neural networks by independently zeroing out the outputs of neurons at random. It has also received a surge of interest for shallow learning, e.g., logistic regression. However, the independent sampling for dropout could be suboptimal for the sake of convergence. In this paper, we propose to use multinomial sampling for dropout, i.e., sampling features or neurons according to a multinomial distribution with different probabilities for different features/neurons. To exhibit the optimal dropout probabilities, we analyze the shallow learning with multinomial dropout and establish the risk bound for stochastic optimization. By minimizing a sampling dependent factor in the risk bound, we obtain a distribution-dependent dropout with sampling probabilities dependent on the second order statistics of the data distribution. To tackle the issue of evolving distribution of neurons in deep learning, we propose an efficient adaptive dropout (named \textbf{evolutional dropout}) that computes the sampling probabilities on-the-fly from a mini-batch of examples. Empirical studies on several benchmark datasets demonstrate that the proposed dropouts achieve not only much faster convergence and but also a smaller testing error than the standard dropout. For example, on the CIFAR-100 data, the evolutional dropout achieves relative improvements over 10\% on the prediction performance and over 50\% on the convergence speed compared to the standard dropout.

Deep metric learning has gained much popularity in recent years, following the success of deep learning. However, existing frameworks of deep metric learning based on contrastive loss and triplet loss often suffer from slow convergence, partially because they employ only one negative example while not interacting with the other negative classes in each update. In this paper, we propose to address this problem with a new metric learning objective called multi-class N-pair loss. The proposed objective function firstly generalizes triplet loss by allowing joint comparison among more than one negative examples – more specifically, N-1 negative examples – and secondly reduces the computational burden of evaluating deep embedding vectors via an efficient batch construction strategy using only N pairs of examples, instead of (N+1)×N. We demonstrate the superiority of our proposed loss to the triplet loss as well as other competing loss functions for a variety of tasks on several visual recognition benchmark, including fine-grained object recognition and verification, image clustering and retrieval, and face verification and identification.

In this paper, we propose a very deep fully convolutional encoding-decoding framework for image restoration such as denoising and super-resolution. The network is composed of multiple layers of convolution and deconvolution operators, learning end-to-end mappings from corrupted images to the original ones. The convolutional layers act as the feature extractor, which capture the abstraction of image contents while eliminating noises/corruptions. Deconvolutional layers are then used to recover the image details. We propose to symmetrically link convolutional and deconvolutional layers with skip-layer connections, with which the training converges much faster and attains a higher-quality local optimum. First, the skip connections allow the signal to be back-propagated to bottom layers directly, and thus tackles the problem of gradient vanishing, making training deep networks easier and achieving restoration performance gains consequently. Second, these skip connections pass image details from convolutional layers to deconvolutional layers, which is beneficial in recovering the original image. Significantly, with the large capacity, we can handle different levels of noises using a single model. Experimental results show that our network achieves better performance than recent state-of-the-art methods.

In this paper, we address the problems of identifying linear structural equation models and discovering the constraints they imply. We first extend the half-trek criterion to cover a broader class of models and apply our extension to finding testable constraints implied by the model. We then show that any semi-Markovian linear model can be recursively decomposed into simpler sub-models, resulting in improved identification and constraint discovery power. Finally, we show that, unlike the existing methods developed for linear models, the resulting method subsumes the identification and constraint discovery algorithms for non-parametric models.

Consider samples from two different data sources $\{\mathbf{x_s^i}\} \sim P_{\rm source}$ and $\{\mathbf{x_t^i}\} \sim P_{\rm target}$. We only observe their transformed versions $h(\mathbf{x_s^i})$ and $g(\mathbf{x_t^i})$, for some known function class $h(\cdot)$ and $g(\cdot)$. Our goal is to perform a statistical test checking if $P_{\rm source}$ = $P_{\rm target}$ while removing the distortions induced by the transformations. This problem is closely related to concepts underlying numerous domain adaptation algorithms, and in our case, is motivated by the need to combine clinical and imaging based biomarkers from multiple sites and/or batches, where this problem is fairly common and an impediment in the conduct of analyses with much larger sample sizes. We develop a framework that addresses this problem using ideas from hypothesis testing on the transformed measurements, where in the distortions need to be estimated {\it in tandem} with the testing. We derive a simple algorithm and study its convergence and consistency properties in detail, and we also provide lower-bound strategies based on recent work in continuous optimization. On a dataset of individuals at risk for neurological disease, our results are competitive with alternative procedures that are twice as expensive and in some cases operationally infeasible to implement.

Abstract Subjective expected utility theory assumes that decision-makers possess unlimited computational resources to reason about their choices; however, virtually all decisions in everyday life are made under resource constraints---i.e. decision-makers are bounded in their rationality. Here we experimentally tested the predictions made by a formalization of bounded rationality based on ideas from statistical mechanics and information-theory. We systematically tested human subjects in their ability to solve combinatorial puzzles under different time limitations. We found that our bounded-rational model accounts well for the data. The decomposition of the fitted model parameter into the subjects' expected utility function and resource parameter provide interesting insight into the subjects' information capacity limits. Our results confirm that humans gradually fall back on their learned prior choice patterns when confronted with increasing resource limitations.

Rapid categorization paradigms have a long history in experimental psychology: Characterized by short presentation times and speeded behavioral responses, these tasks highlight the efficiency with which our visual system processes natural object categories. Previous studies have shown that feed-forward hierarchical models of the visual cortex provide a good fit to human visual decisions. At the same time, recent work in computer vision has demonstrated significant gains in object recognition accuracy with increasingly deep hierarchical architectures. But it is unclear how well these models account for human visual decisions and what they may reveal about the underlying brain processes. We have conducted a large-scale psychophysics study to assess the correlation between computational models and human behavioral responses on a rapid animal vs. non-animal categorization task. We considered visual representations of varying complexity by analyzing the output of different stages of processing in three state-of-the-art deep networks. We found that recognition accuracy increases with higher stages of visual processing (higher level stages indeed outperforming human participants on the same task) but that human decisions agree best with predictions from intermediate stages. Overall, these results suggest that human participants may rely on visual features of intermediate complexity and that the complexity of visual representations afforded by modern deep network models may exceed the complexity of those used by human participants during rapid categorization.