OpenRaiser/Intern-Atlas huggingface dataset:
Order Optimal One-Shot Distributed Learning
Venue: Conference NeurIPS 2019
Year: 2019

We consider distributed statistical optimization in one-shot setting, where there are $m$ machines each observing $n$ i.i.d. samples. Based on its observed samples, each machine then sends an $O(\log(mn))$-length message to a server, at which a parameter minimizing an expected loss is to be estimated. We propose an algorithm called Multi-Resolution Estimator (MRE) whose expected error is no larger than $\tilde{O}\big(m^{-{1}/{\max(d,2)}} n^{-1/2}\big)$, where $d$ is the dimension of the parameter space. This error bound meets existing lower bounds up to poly-logarithmic factors, and is thereby order optimal. The expected error of MRE, unlike existing algorithms, tends to zero as the number of machines ($m$) goes to infinity, even when the number of samples per machine ($n$) remains upper bounded by a constant. This property of the MRE algorithm makes it applicable in new machine learning paradigms where $m$ is much larger than $n$.
Exact Gaussian Processes on a Million Data Points
Venue: Conference NeurIPS 2019
Year: 2019

Gaussian processes (GPs) are flexible non-parametric models, with a capacity that grows with the available data. However, computational constraints with standard inference procedures have limited exact GPs to problems with fewer than about ten thousand training points, necessitating approximations for larger datasets. In this paper, we develop a scalable approach for exact GPs that leverages multi-GPU parallelization and methods like linear conjugate gradients, accessing the kernel matrix only through matrix multiplication. By partitioning and distributing kernel matrix multiplies, we demonstrate that an exact GP can be trained on over a million points, a task previously thought to be impossible with current computing hardware, in less than 2 hours. Moreover, our approach is generally applicable, without constraints to grid data or specific kernel classes. Enabled by this scalability, we perform the first-ever comparison of exact GPs against scalable GP approximations on datasets with $10^4 \!-\! 10^6$ data points, showing dramatic performance improvements.
Asymmetric Valleys: Beyond Sharp and Flat Local Minima
Venue: Conference NeurIPS 2019
Year: 2019

Despite the non-convex nature of their loss functions, deep neural networks are known to generalize well when optimized with stochastic gradient descent (SGD). Recent work conjectures that SGD with proper configuration is able to find wide and flat local minima, which have been proposed to be associated with good generalization performance. In this paper, we observe that local minima of modern deep networks are more than being flat or sharp. Specifically, at a local minimum there exist many asymmetric directions such that the loss increases abruptly along one side, and slowly along the opposite side--we formally define such minima as asymmetric valleys. Under mild assumptions, we prove that for asymmetric valleys, a solution biased towards the flat side generalizes better than the exact minimizer. Further, we show that simply averaging the weights along the SGD trajectory gives rise to such biased solutions implicitly. This provides a theoretical explanation for the intriguing phenomenon observed by Izmailov et al. (2018). In addition, we empirically find that batch normalization (BN) appears to be a major cause for asymmetric valleys.
Zero-Shot Semantic Segmentation
Venue: Conference NeurIPS 2019
Year: 2019

Semantic segmentation models are limited in their ability to scale to large numbers of object classes. In this paper, we introduce the new task of zero-shot semantic segmentation: learning pixel-wise classifiers for never-seen object categories with zero training examples. To this end, we present a novel architecture, ZS3Net, combining a deep visual segmentation model with an approach to generate visual representations from semantic word embeddings. By this way, ZS3Net addresses pixel classification tasks where both seen and unseen categories are faced at test time (so called "generalized" zero-shot classification). Performance is further improved by a self-training step that relies on automatic pseudo-labeling of pixels from unseen classes. On the two standard segmentation datasets, Pascal-VOC and Pascal-Context, we propose zero-shot benchmarks and set competitive baselines. For complex scenes as ones in the Pascal-Context dataset, we extend our approach by using a graph-context encoding to fully leverage spatial context priors coming from class-wise segmentation maps.
Lower Bounds on Adversarial Robustness from Optimal Transport
Venue: Conference NeurIPS 2019
Year: 2019

While progress has been made in understanding the robustness of machine learning classifiers to test-time adversaries (evasion attacks), fundamental questions remain unresolved. In this paper, we use optimal transport to characterize the minimum possible loss in an adversarial classification scenario. In this setting, an adversary receives a random labeled example from one of two classes, perturbs the example subject to a neighborhood constraint, and presents the modified example to the classifier. We define an appropriate cost function such that the minimum transportation cost between the distributions of the two classes determines the minimum $0-1$ loss for any classifier. When the classifier comes from a restricted hypothesis class, the optimal transportation cost provides a lower bound. We apply our framework to the case of Gaussian data with norm-bounded adversaries and explicitly show matching bounds for the classification and transport problems as well as the optimality of linear classifiers. We also characterize the sample complexity of learning in this setting, deriving and extending previously known results as a special case. Finally, we use our framework to study the gap between the optimal classification performance possible and that currently achieved by state-of-the-art robustly trained neural networks for datasets of interest, namely, MNIST, Fashion MNIST and CIFAR-10.
Flattening a Hierarchical Clustering through Active Learning
Venue: Conference NeurIPS 2019
Year: 2019

We investigate active learning by pairwise similarity over the leaves of trees originating from hierarchical clustering procedures. In the realizable setting, we provide a full characterization of the number of queries needed to achieve perfect reconstruction of the tree cut. In the non-realizable setting, we rely on known important-sampling procedures to obtain regret and query complexity bounds. Our algorithms come with theoretical guarantees on the statistical error and, more importantly, lend themselves to linear-time implementations in the relevant parameters of the problem. We discuss such implementations, prove running time guarantees for them, and present preliminary experiments on real-world datasets showing the compelling practical performance of our algorithms as compared to both passive learning and simple active learning baselines.
Explicit Explore-Exploit Algorithms in Continuous State Spaces
Venue: Conference NeurIPS 2019
Year: 2019

We present a new model-based algorithm for reinforcement learning (RL) which consists of explicit exploration and exploitation phases, and is applicable in large or infinite state spaces. The algorithm maintains a set of dynamics models consistent with current experience and explores by finding policies which induce high disagreement between their state predictions. It then exploits using the refined set of models or experience gathered during exploration. We show that under realizability and optimal planning assumptions, our algorithm provably finds a near-optimal policy with a number of samples that is polynomial in a structural complexity measure which we show to be low in several natural settings. We then give a practical approximation using neural networks and demonstrate its performance and sample efficiency in practice.
Hyperbolic Graph Convolutional Neural Networks
Venue: Conference NeurIPS 2019
Year: 2019

Graph convolutional neural networks (GCNs) embed nodes in a graph into Euclidean space, which has been shown to incur a large distortion when embedding real-world graphs with scale-free or hierarchical structure. Hyperbolic geometry offers an exciting alternative, as it enables embeddings with much smaller distortion. However, extending GCNs to hyperbolic geometry presents several unique challenges because it is not clear how to define neural network operations, such as feature transformation and aggregation, in hyperbolic space. Furthermore, since input features are often Euclidean, it is unclear how to transform the features into hyperbolic embeddings with the right amount of curvature. Here we propose Hyperbolic Graph Convolutional Neural Network (HGCN), the first inductive hyperbolic GCN that leverages both the expressiveness of GCNs and hyperbolic geometry to learn inductive node representations for hierarchical and scale-free graphs. We derive GCN operations in the hyperboloid model of hyperbolic space and map Euclidean input features to embeddings in hyperbolic spaces with different trainable curvature at each layer. Experiments demonstrate that HGCN learns embeddings that preserve hierarchical structure, and leads to improved performance when compared to Euclidean analogs, even with very low dimensional embeddings: compared to state-of-the-art GCNs, HGCN achieves an error reduction of up to 63.1% in ROC AUC for link prediction and of up to 47.5% in F1 score for node classification, also improving state-of-the art on the Pubmed dataset.
SpArSe: Sparse Architecture Search for CNNs on Resource-Constrained Microcontrollers
Venue: Conference NeurIPS 2019
Year: 2019

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 finite 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 $4.35\times$ smaller than previous approaches, while meeting the strict MCU working memory constraint.
Capacity Bounded Differential Privacy
Venue: Conference NeurIPS 2019
Year: 2019

Differential privacy, a notion of algorithmic stability, is a gold standard for measuring the additional risk an algorithm's output poses to the privacy of a single record in the dataset. Differential privacy is defined as the distance between the output distribution of an algorithm on neighboring datasets that differ in one entry. In this work, we present a novel relaxation of differential privacy, capacity bounded differential privacy, where the adversary that distinguishes output distributions is assumed to be capacity-bounded -- i.e. bounded not in computational power, but in terms of the function class from which their attack algorithm is drawn. We model adversaries in terms of restricted f-divergences between probability distributions, and study properties of the definition and algorithms that satisfy them.
Meta-Surrogate Benchmarking for Hyperparameter Optimization
Venue: Conference NeurIPS 2019
Year: 2019

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and practitioners not only from systematically running large-scale comparisons that are needed to draw statistically significant results but also from reproducing experiments that were conducted before. This work proposes a method to alleviate these issues by means of a meta-surrogate model for HPO tasks trained on off-line generated data. The model combines a probabilistic encoder with a multi-task model such that it can generate inexpensive and realistic tasks of the class of problems of interest. We demonstrate that benchmarking HPO methods on samples of the generative model allows us to draw more coherent and statistically significant conclusions that can be reached orders of magnitude faster than using the original tasks. We provide evidence of our findings for various HPO methods on a wide class of problems.
Time/Accuracy Tradeoffs for Learning a ReLU with respect to Gaussian Marginals
Venue: Conference NeurIPS 2019
Year: 2019

We consider the problem of computing the best-fitting ReLU with respect to square-loss on a training set when the examples have been drawn according to a spherical Gaussian distribution (the labels can be arbitrary). Let $\mathsf{opt} < 1$ be the population loss of the best-fitting ReLU. We prove: 1. Finding a ReLU with square-loss $\mathsf{opt} + ε$ is as hard as the problem of learning sparse parities with noise, widely thought to be computationally intractable. This is the first hardness result for learning a ReLU with respect to Gaussian marginals, and our results imply -{\emph unconditionally}- that gradient descent cannot converge to the global minimum in polynomial time. 2. There exists an efficient approximation algorithm for finding the best-fitting ReLU that achieves error $O(\mathsf{opt}^{2/3})$. The algorithm uses a novel reduction to noisy halfspace learning with respect to $0/1$ loss. Prior work due to Soltanolkotabi [Sol17] showed that gradient descent can find the best-fitting ReLU with respect to Gaussian marginals, if the training set is exactly labeled by a ReLU.
Bayesian Optimization under Heavy-tailed Payoffs
Venue: Conference NeurIPS 2019
Year: 2019

We consider black box optimization of an unknown function in the nonparametric Gaussian process setting when the noise in the observed function values can be heavy tailed. This is in contrast to existing literature that typically assumes sub-Gaussian noise distributions for queries. Under the assumption that the unknown function belongs to the Reproducing Kernel Hilbert Space (RKHS) induced by a kernel, we first show that an adaptation of the well-known GP-UCB algorithm with reward truncation enjoys sublinear $\tilde{O}(T^{\frac{2 + α}{2(1+α)}})$ regret even with only the $(1+α)$-th moments, $α\in (0,1]$, of the reward distribution being bounded ($\tilde{O}$ hides logarithmic factors). However, for the common squared exponential (SE) and Matérn kernels, this is seen to be significantly larger than a fundamental $Ω(T^{\frac{1}{1+α}})$ lower bound on regret. We resolve this gap by developing novel Bayesian optimization algorithms, based on kernel approximation techniques, with regret bounds matching the lower bound in order for the SE kernel. We numerically benchmark the algorithms on environments based on both synthetic models and real-world data sets.
State Aggregation Learning from Markov Transition Data
Venue: Conference NeurIPS 2019
Year: 2019

State aggregation is a popular model reduction method rooted in optimal control. It reduces the complexity of engineering systems by mapping the system's states into a small number of meta-states. The choice of aggregation map often depends on the data analysts' knowledge and is largely ad hoc. In this paper, we propose a tractable algorithm that estimates the probabilistic aggregation map from the system's trajectory. We adopt a soft-aggregation model, where each meta-state has a signature raw state, called an anchor state. This model includes several common state aggregation models as special cases. Our proposed method is a simple two-step algorithm: The first step is spectral decomposition of empirical transition matrix, and the second step conducts a linear transformation of singular vectors to find their approximate convex hull. It outputs the aggregation distributions and disaggregation distributions for each meta-state in explicit forms, which are not obtainable by classical spectral methods. On the theoretical side, we prove sharp error bounds for estimating the aggregation and disaggregation distributions and for identifying anchor states. The analysis relies on a new entry-wise deviation bound for singular vectors of the empirical transition matrix of a Markov process, which is of independent interest and cannot be deduced from existing literature. The application of our method to Manhattan traffic data successfully generates a data-driven state aggregation map with nice interpretations.
Meta-Learning with Implicit Gradients
Venue: Conference NeurIPS 2019
Year: 2019

A core capability of intelligent systems is the ability to quickly learn new tasks by drawing on prior experience. Gradient (or optimization) based meta-learning has recently emerged as an effective approach for few-shot learning. In this formulation, meta-parameters are learned in the outer loop, while task-specific models are learned in the inner-loop, by using only a small amount of data from the current task. A key challenge in scaling these approaches is the need to differentiate through the inner loop learning process, which can impose considerable computational and memory burdens. By drawing upon implicit differentiation, we develop the implicit MAML algorithm, which depends only on the solution to the inner level optimization and not the path taken by the inner loop optimizer. This effectively decouples the meta-gradient computation from the choice of inner loop optimizer. As a result, our approach is agnostic to the choice of inner loop optimizer and can gracefully handle many gradient steps without vanishing gradients or memory constraints. Theoretically, we prove that implicit MAML can compute accurate meta-gradients with a memory footprint that is, up to small constant factors, no more than that which is required to compute a single inner loop gradient and at no overall increase in the total computational cost. Experimentally, we show that these benefits of implicit MAML translate into empirical gains on few-shot image recognition benchmarks.
The Geometry of Deep Networks: Power Diagram Subdivision
Venue: Conference NeurIPS 2019
Year: 2019

We study the geometry of deep (neural) networks (DNs) with piecewise affine and convex nonlinearities. The layers of such DNs have been shown to be {\em max-affine spline operators} (MASOs) that partition their input space and apply a region-dependent affine mapping to their input to produce their output. We demonstrate that each MASO layer's input space partitioning corresponds to a {\em power diagram} (an extension of the classical Voronoi tiling) with a number of regions that grows exponentially with respect to the number of units (neurons). We further show that a composition of MASO layers (e.g., the entire DN) produces a progressively subdivided power diagram and provide its analytical form. The subdivision process constrains the affine maps on the (exponentially many) power diagram regions to greatly reduce their complexity. For classification problems, we obtain a formula for a MASO DN's decision boundary in the input space plus a measure of its curvature that depends on the DN's nonlinearities, weights, and architecture. Numerous numerical experiments support and extend our theoretical results.
GPipe: Efficient Training of Giant Neural Networks using Pipeline Parallelism
Venue: Conference NeurIPS 2019
Year: 2019

Scaling up deep neural network capacity has been known as an effective approach to improving model quality for several different machine learning tasks. In many cases, increasing model capacity beyond the memory limit of a single accelerator has required developing special algorithms or infrastructure. These solutions are often architecture-specific and do not transfer to other tasks. To address the need for efficient and task-independent model parallelism, we introduce GPipe, a pipeline parallelism library that allows scaling any network that can be expressed as a sequence of layers. By pipelining different sub-sequences of layers on separate accelerators, GPipe provides the flexibility of scaling a variety of different networks to gigantic sizes efficiently. Moreover, GPipe utilizes a novel batch-splitting pipelining algorithm, resulting in almost linear speedup when a model is partitioned across multiple accelerators. We demonstrate the advantages of GPipe by training large-scale neural networks on two different tasks with distinct network architectures: (i) Image Classification: We train a 557-million-parameter AmoebaNet model and attain a top-1 accuracy of 84.4% on ImageNet-2012, (ii) Multilingual Neural Machine Translation: We train a single 6-billion-parameter, 128-layer Transformer model on a corpus spanning over 100 languages and achieve better quality than all bilingual models.
Linear Stochastic Bandits Under Safety Constraints
Venue: Conference NeurIPS 2019
Year: 2019

Bandit algorithms have various application in safety-critical systems, where it is important to respect the system constraints that rely on the bandit's unknown parameters at every round. In this paper, we formulate a linear stochastic multi-armed bandit problem with safety constraints that depend (linearly) on an unknown parameter vector. As such, the learner is unable to identify all safe actions and must act conservatively in ensuring that her actions satisfy the safety constraint at all rounds (at least with high probability). For these bandits, we propose a new UCB-based algorithm called Safe-LUCB, which includes necessary modifications to respect safety constraints. The algorithm has two phases. During the pure exploration phase the learner chooses her actions at random from a restricted set of safe actions with the goal of learning a good approximation of the entire unknown safe set. Once this goal is achieved, the algorithm begins a safe exploration-exploitation phase where the learner gradually expands their estimate of the set of safe actions while controlling the growth of regret. We provide a general regret bound for the algorithm, as well as a problem dependent bound that is connected to the location of the optimal action within the safe set. We then propose a modified heuristic that exploits our problem dependent analysis to improve the regret.