NeurIPS 2019 Papers

We consider the problem of estimating an unknown coordinate-wise monotone function given noisy measurements, known as the isotonic regression problem. Often, only a small subset of the features affects the output. This motivates the sparse isotonic regression setting, which we consider here. We provide an upper bound on the expected VC entropy of the space of sparse coordinate-wise monotone functions, and identify the regime of statistical consistency of our estimator. We also propose a linear program to recover the active coordinates, and provide theoretical recovery guarantees. We close with experiments on cancer classification, and show that our method significantly outperforms several standard methods.

Recently, Charikar and Siminelakis (2017) presented a framework for kernel density estimation in provably sublinear query time, for kernels that possess a certain hashing-based property. However, their data structure requires a significantly increased super-linear storage space, as well as super-linear preprocessing time. These limitations inhibit the practical applicability of their approach on large datasets.

The vast majority of processors in the world are actually microcontroller units (MCUs), which find widespread use performing simple control tasks in applications ranging from automobiles to medical devices and office equipment. The Internet of Things (IoT) promises to inject machine learning into many of these every-day objects via tiny, cheap MCUs. However, these resource-impoverished hardware platforms severely limit the complexity of machine learning models that can be deployed. For example, although convolutional neural networks (CNNs) achieve state-of-the-art results on many visual recognition tasks, CNN inference on MCUs is challenging due to severe memory limitations. To circumvent the memory challenge associated with CNNs, various alternatives have been proposed that do fit within the memory budget of an MCU, albeit at the cost of prediction accuracy. This paper challenges the idea that CNNs are not suitable for deployment on MCUs. We demonstrate that it is possible to automatically design CNNs which generalize well, while also being small enough to fit onto memory-limited MCUs. Our Sparse Architecture Search method combines neural architecture search with pruning in a single, unified approach, which learns superior models on four popular IoT datasets. The CNNs we find are more accurate and up to 7.4× smaller than previous approaches, while meeting the strict MCU working memory constraint.

We propose a new approach to graph compression by appeal to optimal transport. The transport problem is seeded with prior information about node importance, attributes, and edges in the graph. The transport formulation can be setup for either directed or undirected graphs, and its dual characterization is cast in terms of distributions over the nodes. The compression pertains to the support of node distributions and makes the problem challenging to solve directly. To this end, we introduce Boolean relaxations and specify conditions under which these relaxations are exact. The relaxations admit algorithms with provably fast convergence. Moreover, we provide an exact O(d log d) algorithm for the subproblem of projecting a d-dimensional vector to transformed simplex constraints. Our method outperforms state-of-the-art compression methods on graph classification.

Recent applications that arise in machine learning have surged significant interest in solving min-max saddle point games. This problem has been extensively studied in the convex-concave regime for which a global equilibrium solution can be computed efficiently. In this paper, we study the problem in the non-convex regime and show that an $\varepsilon$--first order stationary point of the game can be computed when one of the player’s objective can be optimized to global optimality efficiently. In particular, we first consider the case where the objective of one of the players satisfies the Polyak-{\L}ojasiewicz (PL) condition. For such a game, we show that a simple multi-step gradient descent-ascent algorithm finds an $\varepsilon$--first order stationary point of the problem in $\widetilde{\mathcal{O}}(\varepsilon^{-2})$ iterations. Then we show that our framework can also be applied to the case where the objective of the ``max-player" is concave. In this case, we propose a multi-step gradient descent-ascent algorithm that finds an $\varepsilon$--first order stationary point of the game in $\widetilde{\cal O}(\varepsilon^{-3.5})$ iterations, which is the best known rate in the literature. We applied our algorithm to a fair classification problem of Fashion-MNIST dataset and observed that the proposed algorithm results in smoother training and better generalization.

Kernel dimensionality reduction (KDR) algorithms find a low dimensional representation of the original data by optimizing kernel dependency measures that are capable of capturing nonlinear relationships. The standard strategy is to first map the data into a high dimensional feature space using kernels prior to a projection onto a low dimensional space. While KDR methods can be easily solved by keeping the most dominant eigenvectors of the kernel matrix, its features are no longer easy to interpret. Alternatively, Interpretable KDR (IKDR) is different in that it projects onto a subspace \textit{before} the kernel feature mapping, therefore, the projection matrix can indicate how the original features linearly combine to form the new features. Unfortunately, the IKDR objective requires a non-convex manifold optimization that is difficult to solve and can no longer be solved by eigendecomposition. Recently, an efficient iterative spectral (eigendecomposition) method (ISM) has been proposed for this objective in the context of alternative clustering. However, ISM only provides theoretical guarantees for the Gaussian kernel. This greatly constrains ISM's usage since any kernel method using ISM is now limited to a single kernel. This work extends the theoretical guarantees of ISM to an entire family of kernels, thereby empowering ISM to solve any kernel method of the same objective. In identifying this family, we prove that each kernel within the family has a surrogate $\Phi$ matrix and the optimal projection is formed by its most dominant eigenvectors. With this extension, we establish how a wide range of IKDR applications across different learning paradigms can be solved by ISM. To support reproducible results, the source code is made publicly available on \url{https://github.com/ANONYMIZED}.

Predicting the future trajectories of multiple interacting pedestrians in a scene has become an increasingly important problem for many different applications ranging from control of autonomous vehicles and social robots to security and surveillance. This problem is compounded by the presence of social interactions between humans and their physical interactions with the scene. While the existing literature has explored some of these cues, they mainly ignored the multimodal nature of each human's future trajectory which is noticeably influenced by the intricate social interactions. In this paper, we present Social-BiGAT, a graph-based generative adversarial network that generates realistic, multimodal trajectory predictions for multiple pedestrians in a scene. Our method is based on a graph attention network (GAT) that learns feature representations that encode the social interactions between humans in the scene, and a recurrent encoder-decoder architecture that is trained adversarially to predict, based on the features, the humans' paths. We explicitly account for the multimodal nature of the prediction problem by forming a reversible transformation between each scene and its latent noise vector, as in Bicycle-GAN. We show that our framework achieves state-of-the-art performance comparing it to several baselines on existing trajectory forecasting benchmarks.

We propose the Sobolev Independence Criterion (SIC), an interpretable dependency measure between a high dimensional random variable X and a response variable Y. SIC decomposes to the sum of feature importance scores and hence can be used for nonlinear feature selection. SIC can be seen as a gradient regularized Integral Probability Metric (IPM) between the joint distribution of the two random variables and the product of their marginals. We use sparsity inducing gradient penalties to promote input sparsity of the critic of the IPM. In the kernel version we show that SIC can be cast as a convex optimization problem by introducing auxiliary variables that play an important role in feature selection as they are normalized feature importance scores. We then present a neural version of SIC where the critic is parameterized as a homogeneous neural network, improving its representation power as well as its interpretability. We conduct experiments validating SIC for feature selection in synthetic and real-world experiments. We show that SIC enables reliable and interpretable discoveries, when used in conjunction with the holdout randomization test and knockoffs to control the False Discovery Rate. Code is available at http://github.com/ibm/sic.

Recently used in various machine learning contexts, the Gromov-Wasserstein distance (GW) allows for comparing distributions whose supports do not necessarily lie in the same metric space. However, this Optimal Transport (OT) distance requires solving a complex non convex quadratic program which is most of the time very costly both in time and memory. Contrary to GW, the Wasserstein distance (W) enjoys several properties ({\em e.g.} duality) that permit large scale optimization. Among those, the solution of W on the real line, that only requires sorting discrete samples in 1D, allows defining the Sliced Wasserstein (SW) distance. This paper proposes a new divergence based on GW akin to SW. We first derive a closed form for GW when dealing with 1D distributions, based on a new result for the related quadratic assignment problem. We then define a novel OT discrepancy that can deal with large scale distributions via a slicing approach and we show how it relates to the GW distance while being $O(n\log(n))$ to compute. We illustrate the behavior of this so called Sliced Gromov-Wasserstein (SGW) discrepancy in experiments where we demonstrate its ability to tackle similar problems as GW while being several order of magnitudes faster to compute.

In real-world machine learning applications, data subsets correspond to especially critical outcomes: vulnerable cyclist detections are safety-critical in an autonomous driving task, and "question" sentences might be important to a dialogue agent's language understanding for product purposes. While machine learning models can achieve quality performance on coarse-grained metrics like F1-score and overall accuracy, they may underperform on these critical subsets---we define these as slices, the key abstraction in our approach. To address slice-level performance, practitioners often train separate "expert" models on slice subsets or use multi-task hard parameter sharing. We propose Slice-based Learning, a new programming model in which the slicing function (SF), a programmer abstraction, is used to specify additional model capacity for each slice. Any model can leverage SFs to learn slice-specific representations, which are combined with an attention mechanism to make slice-aware predictions. We show that our approach improves over baselines in terms of computational complexity and slice-specific performance by up to 19.0 points, and overall performance by up to 4.6 F1 points on applications spanning natural language understanding and computer vision benchmarks as well as production-scale industrial systems.

This paper introduces a new approach for the scalable Tucker decomposition problem. Given a tensor X , the method proposed allows to infer the latent factors by processing one subtensor drawn from X at a time. The key principle of our approach is based on the recursive computations of gradient and on cyclic update of factors involving only one single step of gradient descent. We further improve the computational efficiency of this algorithm by proposing an inexact gradient version. These two algorithms are backed with theoretical guarantees of convergence and convergence rate under mild conditions. The scalabilty of the proposed approaches which can be easily extended to handle some common constraints encountered in tensor decomposition (e.g non-negativity), is proven via numerical experiments on both synthetic and real data sets.

We provide single-model estimates of aleatoric and epistemic uncertainty for deep neural networks. To estimate aleatoric uncertainty, we propose Simultaneous Quantile Regression (SQR), a loss function to learn all the conditional quantiles of a given target variable. These quantiles can be used to compute well-calibrated prediction intervals. To estimate epistemic uncertainty, we propose Orthonormal Certificates (OCs), a collection of diverse non-constant functions that map all training samples to zero. These certificates map out-of-distribution examples to non-zero values, signaling epistemic uncertainty. Our uncertainty estimators are computationally attractive, as they do not require ensembling or retraining deep models, and achieve state-of-the-art performance.

Synthetic visual data can provide practicically infinite diversity and rich labels, while avoiding ethical issues with privacy and bias. However, for many tasks, current models trained on synthetic data generalize poorly to real data. The task of 3D human pose estimation is a particularly interesting example of this sim2real problem, because learning-based approaches perform reasonably well given real training data, yet labeled 3D poses are extremely difficult to obtain in the wild, limiting scalability. In this paper, we show that standard neural-network approaches, which perform poorly when trained on synthetic RGB images, can perform well when the data is pre-processed to extract cues about the person’s motion, notably as optical flow and the motion of 2D keypoints. Therefore, our results suggest that motion can be a simple way to bridge a sim2real gap when video is available. We evaluate on the 3D Poses in the Wild dataset, the most challenging modern benchmark for 3D pose estimation, where we show full 3D mesh recovery that is on par with state-of-the-art methods trained on real 3D sequences, despite training only on synthetic humans from the SURREAL dataset.

When agents interact with a complex environment, they must form and maintain beliefs about the relevant aspects of that environment. We propose a way to efficiently train expressive generative models in complex environments. We show that a predictive algorithm with an expressive generative model can form stable belief-states in visually rich and dynamic 3D environments. More precisely, we show that the learned representation captures the layout of the environment as well as the position and orientation of the agent. Our experiments show that the model substantially improves data-efficiency on a number of reinforcement learning (RL) tasks compared with strong model-free baseline agents. We find that predicting multiple steps into the future (overshooting), in combination with an expressive generative model, is critical for stable representations to emerge. In practice, using expressive generative models in RL is computationally expensive and we propose a scheme to reduce this computational burden, allowing us to build agents that are competitive with model-free baselines.

This paper addresses the problem of time series forecasting for non-stationary signals and multiple future steps prediction. To handle this challenging task, we introduce DILATE (DIstortion Loss including shApe and TimE), a new objective function for training deep neural networks. DILATE aims at accurately predicting sudden changes, and explicitly incorporates two terms supporting precise shape and temporal change detection. We introduce a differentiable loss function suitable for training deep neural nets, and provide a custom back-prop implementation for speeding up optimization. We also introduce a variant of DILATE, which provides a smooth generalization of temporally-constrained Dynamic TimeWarping (DTW). Experiments carried out on various non-stationary datasets reveal the very good behaviour of DILATE compared to models trained with the standard Mean Squared Error (MSE) loss function, and also to DTW and variants. DILATE is also agnostic to the choice of the model, and we highlight its benefit for training fully connected networks as well as specialized recurrent architectures, showing its capacity to improve over state-of-the-art trajectory forecasting approaches.

Recurrent Neural Networks (RNNs) capture long dependencies and context, and 2 hence are the key component of typical sequential data based tasks. However, the sequential nature of RNNs dictates a large inference cost for long sequences even if the hardware supports parallelization. To induce long-term dependencies, and yet admit parallelization, we introduce novel shallow RNNs. In this architecture, the first layer splits the input sequence and runs several independent RNNs. The second layer consumes the output of the first layer using a second RNN thus capturing long dependencies. We provide theoretical justification for our architecture under weak assumptions that we verify on real-world benchmarks. Furthermore, we show that for time-series classification, our technique leads to substantially improved inference time over standard RNNs without compromising accuracy. For example, we can deploy audio-keyword classification on tiny Cortex M4 devices (100MHz processor, 256KB RAM, no DSP available) which was not possible using standard RNN models. Similarly, using SRNN in the popular Listen-Attend-Spell (LAS) architecture for phoneme classification [4], we can reduce the lag inphoneme classification by 10-12x while maintaining state-of-the-art accuracy.

Ordinary differential equation (ODE) models of gradient-based optimization methods can provide insights into the dynamics of learning and inspire the design of new algorithms. Unfortunately, this thought-provoking perspective is weakened by the fact that, in the worst case, the error between the algorithm steps and its ODE approximation grows exponentially with the number of iterations. In an attempt to encourage the use of continuous-time methods in optimization, we show that, if some additional regularity on the objective is assumed, the ODE representations of Gradient Descent and Heavy-ball do not suffer from the aforementioned problem, once we allow for a small perturbation on the algorithm initial condition. In the dynamical systems literature, this phenomenon is called shadowing. Our analysis relies on the concept of hyperbolicity, as well as on tools from numerical analysis.

In this paper we introduce the pure exploration transductive linear bandit problem: given a set of measurement vectors $\mathcal{X}\subset \mathbb{R}^d$, a set of items $\mathcal{Z}\subset \mathbb{R}^d$, a fixed confidence $\delta$, and an unknown vector $\theta^{\ast}\in \mathbb{R}^d$, the goal is to infer $\arg\max_{z\in \mathcal{Z}} z^\top\theta^\ast$ with probability $1-\delta$ by making as few sequentially chosen noisy measurements of the form $x^\top\theta^{\ast}$ as possible. When $\mathcal{X}=\mathcal{Z}$, this setting generalizes linear bandits, and when $\mathcal{X}$ is the standard basis vectors and $\mathcal{Z}\subset \{0,1\}^d$, combinatorial bandits. The transductive setting naturally arises when the set of measurement vectors is limited due to factors such as availability or cost. As an example, in drug discovery the compounds and dosages $\mathcal{X}$ a practitioner may be willing to evaluate in the lab in vitro due to cost or safety reasons may differ vastly from those compounds and dosages $\mathcal{Z}$ that can be safely administered to patients in vivo. Alternatively, in recommender systems for books, the set of books $\mathcal{X}$ a user is queried about may be restricted to known best-sellers even though the goal might be to recommend more esoteric titles $\mathcal{Z}$. In this paper, we provide instance-dependent lower bounds for the transductive setting, an algorithm that matches these up to logarithmic factors, and an evaluation. In particular, we present the first non-asymptotic algorithm for linear bandits that nearly achieves the information-theoretic lower bound.

The dominant approach to sequence generation is to produce a sequence in some predefined order, e.g. left to right. In contrast, we propose a more general model that can generate the output sequence by inserting tokens in any arbitrary order. Our model learns decoding order as a result of its training procedure. Our experiments show that this model is superior to fixed order models on a number of sequence generation tasks, such as Machine Translation, Image-to-LaTeX and Image Captioning.