### NIPS 2017 Videos

Optimal transport (OT) provides a powerful and flexible way to compare probability measures, discrete and continuous, which includes therefore point clouds, histograms, datasets, parametric and generative models. Originally proposed in the eighteenth century, this theory later led to Nobel Prizes for Koopmans and Kantorovich as well as Villani’s Fields Medal in 2010. OT recently has reached the machine learning community, because it can tackle challenging learning scenarios including dimensionality reduction, structured prediction problems that involve histogram outputs, and estimation of generative models such as GANs in highly degenerate, high-dimensional problems. Despite very recent successes bringing OT from theory to practice, OT remains challenging for the machine learning community because of its mathematical formality. This tutorial will introduce in an approachable way crucial theoretical, computational, algorithmic and practical aspects of OT needed for machine learning applications.

Deep Learning has become an essential toolbox which is used in a wide variety of applications, research labs, industry, etc. In this tutorial, we will provide a set of guidelines which will help newcomers to the field understand the most recent and advanced models, their application to diverse data modalities (such as images, videos, waveforms, sequences, graphs,) and to complex tasks (such as learning to learn from a few examples, or generating molecules).

There has been recent very exciting advances in (deep) reinforcement learning, particularly in the areas of games and robotics. Yet perhaps the largest impact could come when reinforcement learning systems interact with people. In this tutorial we will discuss work on reinforcement learning for helping and assisting people, and frameworks and approaches for enabling people helping reinforcement learning. We will cover Background on reinforcement learning. Reinforcement learning for people-focused applications Approaches for enabling people to assist reinforcement learners A number of the ideas presented here will also be relevant to many high stakes reinforcement learning systems. Target audience: The majority of the tutorial will be aimed at an audience who has a basic machine learning background (e.g. as acquired by a class or equivalent). Learning objectives: Know some of the key technical challenges that arise for reinforcement learning in people-focusing domains; understand some of the algorithms and approaches that have been developed to address these challenges; become familiar with some of the other application areas that have also or can also benefit from reinforcement learning.

Over the past few years, fairness has emerged as a matter of serious concern within machine learning. There is growing recognition that even models developed with the best of intentions may exhibit discriminatory biases, perpetuate inequality, or perform less well for historically disadvantaged groups. Considerable work is already underway within and outside machine learning to both characterize and address these problems. This tutorial will take a novel approach to parsing the topic, adopting three perspectives: statistics, causality, and measurement. Each viewpoint will shed light on different facets of the problem and help explain matters of continuing technical and normative debate. Rather than attempting to resolve questions of fairness within a single technical framework, the tutorial aims to equip the audience with a coherent toolkit to critically examine the many ways that machine learning implicates fairness.

Neural network models are algorithmically simple, but mathematically complex. Gaussian process models are mathematically simple, but algorithmically complex. In this tutorial we will explore Deep Gaussian Process models. They bring advantages in their mathematical simplicity but are challenging in their algorithmic complexity. We will give an overview of Gaussian processes and highlight the algorithmic approximations that allow us to stack Gaussian process models: they are based on variational methods. In the last part of the tutorial will explore a use case exemplar: uncertainty quantification. We end with open questions.

This tutorial will provide a gentle introduction into the foundations of statistical relational artificial intelligence, and will realize this by introducing the foundations of logic, of probability, of learning, and their respective combinations. Both predicate logic and probability theory extend propositional logic, one by adding relations, individuals and quantified variables, the other by allowing for measures over possible worlds and conditional queries. While logical and probabilistic approaches have often been studied and used independently within artificial intelligence, they are not in conflict with each other but they are synergistic. This explains why there has been a considerable body of research in combining first-order logic and probability over the last 25 years, evolving into what has come to be called Statistical Relational Artificial Intelligence (StarAI). Relational probabilistic models — we use this term in the broad sense, meaning any models that combine relations and probabilities — form the basis of StarAI, and can be seen as combinations of probability and predicate calculus that allow for individuals and relations as well as probabilities. In building on top of relational models, StarAI goes far beyond reasoning, optimization, learning and acting optimally in terms of a fixed number of features or variables, as it is typically studied in machine learning, constraint satisfaction, probabilistic reasoning, and other areas of AI. Since StarAI draws upon ideas developed within many different fields, however, it can also be quite challenging for newcomers to get started and our tutorial precisely aims to provide this background.

Differential privacy has emerged as one of the de-facto standards for measuring privacy risk when performing computations on sensitive data and disseminating the results. Algorithms that guarantee differential privacy are randomized, which causes a loss in performance, or utility. Managing the privacy-utility tradeoff becomes easier with more data. Many machine learning algorithms can be made differentially private through the judicious introduction of randomization, usually through noise, within the computation. In this tutorial we will describe the basic framework of differential privacy, key mechanisms for guaranteeing privacy, and how to find differentially private approximations to several contemporary machine learning tools: convex optimization, Bayesian methods, and deep learning.

In the past years, deep learning methods have achieved unprecedented performance on a broad range of problems in various fields from computer vision to speech recognition. So far research has mainly focused on developing deep learning methods for Euclidean-structured data, while many important applications have to deal with non-Euclidean structured data, such as graphs and manifolds. Such geometric data are becoming increasingly important in computer graphics and 3D vision, sensor networks, drug design, biomedicine, recommendation systems, and web applications. The adoption of deep learning in these fields has been lagging behind until recently, primarily since the non-Euclidean nature of objects dealt with makes the very definition of basic operations used in deep networks rather elusive. The purpose of the proposed tutorial is to introduce the emerging field of geometric deep learning on graphs and manifolds, overview existing solutions and applications for this class of problems, as well as key difficulties and future research directions.

Recent successes in computer vision, natural language processing and other areas of artificial intelligence have been largely driven by methods for sophisticated pattern recognition — most prominently deep neural networks. But human intelligence is more than just pattern recognition. In particular, it depends on a suite of cognitive capacities for modeling the world: for making judgment calls in ambiguous situations, explaining and understanding what we see, imagining things we could see but haven’t yet, solving problems and planning actions to make these things real, and building new models as we learn more about the world. We will talk about prospects for reverse-engineering these capacities at the heart of human intelligence, and using what we learn to make machines smarter in more human-like ways. We introduce basic concepts and techniques of probabilistic programs, inference programming and program induction, which together with tools from deep learning and modern video game engines provide an approach to capturing many aspects of everyday intelligence. Specific units in our tutorial will show how: (1) Defining probabilistic programs over algorithms and representations drawn from modern video game engines — graphics engines, physics engines, and planning engines — allows us to capture how people can perceive rich three-dimensional structure in visual scenes and objects, perceive and predict objects' motion based on their physical characteristics, and infer the mental states of other people from observing their actions. (2) By formulating model learning as higher-order inference in these systems, we can construct ``program-learning programs’’. These programs can learn new concepts from just one or a few examples. (3) It is possible to build probabilistic programming systems in which scalable, general-purpose, efficient inference and model discovery algorithms can be easily and flexibly programmed by end users. These languages provide powerful tools for robotics, interactive data analysis, and scientific discovery.

My goal is to let everyone on Earth be able to use the same amount of energy per year as the average U.S. citizen does today. To reach this goal by 2100 will require 0.2 Yottajoules: 0.2 x 10^24 Joules of energy, which is an astounding amount of energy. How can human civilization obtain this much energy without flooding the atmosphere with carbon dioxide? To answer this question, I'll first dive into the economics of electricity, in order to understand the limits of current zero-carbon technologies. These limits cause us to investigate zero-carbon technologies that are still being developed, such as fusion energy. For fusion, I'll show why it's been a tough problem for almost 70 years, and why there may be a solution in the near future. I'll also explain how we've been using machine learning and optimization to accelerate fusion research.

We propose a framework that learns a representation transferable across different domains and tasks in a data efficient manner. Our approach battles domain shift with a domain adversarial loss, and generalizes the embedding to novel task using a metric learning-based approach. Our model is simultaneously optimized on labeled source data and unlabeled or sparsely labeled data in the target domain. Our method shows compelling results on novel classes within a new domain even when only a few labeled examples per class are available, outperforming the prevalent fine-tuning approach. In addition, we demonstrate the effectiveness of our framework on the transfer learning task from image object recognition to video action recognition.

Many machine learning tasks require finding per-part correspondences between objects. In this work we focus on low-level correspondences --- a highly ambiguous matching problem. We propose to use a hierarchical semantic representation of the objects, coming from a convolutional neural network, to solve this ambiguity. Training it for low-level correspondence prediction directly might not be an option in some domains where the ground-truth correspondences are hard to obtain. We show how transfer from recognition can be used to avoid such training. Our idea is to mark parts as ``matching'' if their features are close to each other at all the levels of convolutional feature hierarchy (neural paths). Although the overall number of such paths is exponential in the number of layers, we propose a polynomial algorithm for aggregating all of them in a single backward pass. The empirical validation is done on the task of stereo correspondence and demonstrates that we achieve competitive results among the methods which do not use labeled target domain data.

We investigate an unsupervised generative approach for network embedding. A multi-task Siamese neural network structure is formulated to connect embedding vectors and our objective to preserve the global node ranking and local proximity of nodes. We provide deeper analysis to connect the proposed proximity objective to link prediction and community detection in the network. We show our model can satisfy the following design properties: scalability, asymmetry, unity and simplicity. Experiment results not only verify the above design properties but also demonstrate the superior performance in learning-to-rank, classification, regression, and link prediction tasks.

For the purpose of learning on graphs, we hunt for a graph feature representation that exhibit certain uniqueness, stability and sparsity properties while also being amenable to fast computation. This leads to the discovery of family of graph spectral distances (denoted as FGSD) and their based graph feature representations, which we prove to possess most of these desired properties. To both evaluate the quality of graph features produced by FGSD and demonstrate their utility, we apply them to the graph classification problem. Through extensive experiments, we show that a simple SVM based classification algorithm, driven with our powerful FGSD based graph features, significantly outperforms all the more sophisticated state-of-art algorithms on the unlabeled node datasets in terms of both accuracy and speed; it also yields very competitive results on the labeled datasets - despite the fact it does not utilize any node label information.

We propose a novel adaptive approximation approach for test-time resource-constrained prediction motivated by Mobile, IoT, health, security and other applications, where constraints in the form of computation, communication, latency and feature acquisition costs arise. We learn an adaptive low-cost system by training a gating and prediction model that limits utilization of a high-cost model to hard input instances and gates easy-to-handle input instances to a low-cost model. Our method is based on adaptively approximating the high-cost model in regions where low-cost models suffice for making highly accurate predictions. We pose an empirical loss minimization problem with cost constraints to jointly train gating and prediction models. On a number of benchmark datasets our method outperforms state-of-the-art achieving higher accuracy for the same cost.

Obtaining enough labeled data to robustly train complex discriminative models is a major bottleneck in the machine learning pipeline. A popular solution is combining multiple sources of weak supervision using generative models. The structure of these models affects the quality of the training labels, but is difficult to learn without any ground truth labels. We instead rely on weak supervision sources having some structure by virtue of being encoded programmatically. We present Coral, a paradigm that infers generative model structure by statically analyzing the code for these heuristics, thus significantly reducing the amount of data required to learn structure. We prove that Coral's sample complexity scales quasilinearly with the number of heuristics and number of relations identified, improving over the standard sample complexity, which is exponential in n for learning n-th degree relations. Empirically, Coral matches or outperforms traditional structure learning approaches by up to 3.81 F1 points. Using Coral to model dependencies instead of assuming independence results in better performance than a fully supervised model by 3.07 accuracy points when heuristics are used to label radiology data without ground truth labels.

Learning a regression function using censored or interval-valued output data is an important problem in fields such as genomics and medicine. The goal is to learn a real-valued prediction function, and the training output labels indicate an interval of possible values. Whereas most existing algorithms for this task are linear models, in this paper we investigate learning nonlinear tree models. We propose to learn a tree by minimizing a margin-based discriminative objective function, and we provide a dynamic programming algorithm for computing the optimal solution in log-linear time. We show empirically that this algorithm achieves state-of-the-art speed and prediction accuracy in a benchmark of several data sets.

Spectral methods of moments provide a powerful tool for learning the parameters of latent variable models. Despite their theoretical appeal, the applicability of these methods to real data is still limited due to a lack of robustness to model misspecification. In this paper we present a hierarchical approach to methods of moments to circumvent such limitations. Our method is based on replacing the tensor decomposition step used in previous algorithms with approximate joint diagonalization. Experiments on topic modeling show that our method outperforms previous tensor decomposition methods in terms of speed and model quality.

Kernel embeddings of distributions and the Maximum Mean Discrepancy (MMD), the resulting distance between distributions, are useful tools for fully nonparametric two-sample testing and learning on distributions. However, it is rarely that all possible differences between samples are of interest -- discovered differences can be due to different types of measurement noise, data collection artefacts or other irrelevant sources of variability. We propose distances between distributions which encode invariance to additive symmetric noise, aimed at testing whether the assumed true underlying processes differ. Moreover, we construct invariant features of distributions, leading to learning algorithms robust to the impairment of the input distributions with symmetric additive noise.

Inference using deep neural networks is often outsourced to the cloud since it is a computationally demanding task. However, this raises a fundamental issue of trust. How can a client be sure that the cloud has performed inference correctly? A lazy cloud provider might use a simpler but less accurate model to reduce its own computational load, or worse, maliciously modify the inference results sent to the client. We propose SafetyNets, a framework that enables an untrusted server (the cloud) to provide a client with a short mathematical proof of the correctness of inference tasks that they perform on behalf of the client. Specifically, SafetyNets develops and implements a specialized interactive proof (IP) protocol for verifiable execution of a class of deep neural networks, i.e., those that can be represented as arithmetic circuits. Our empirical results on three- and four-layer deep neural networks demonstrate the run-time costs of SafetyNets for both the client and server are low. SafetyNets detects any incorrect computations of the neural network by the untrusted server with high probability, while achieving state-of-the-art accuracy on the MNIST digit recognition (99.4%) and TIMIT speech recognition tasks (75.22%).

Many events occur in the world. Some event types are stochastically excited or inhibited—in the sense of having their probabilities elevated or decreased—by patterns in the sequence of previous events. Discovering such patterns can help us predict which type of event will happen next and when. We model streams of discrete events in continuous time, by constructing a neurally self-modulating multivariate point process in which the intensities of multiple event types evolve according to a novel continuous-time LSTM. This generative model allows past events to influence the future in complex and realistic ways, by conditioning future event intensities on the hidden state of a recurrent neural network that has consumed the stream of past events. Our model has desirable qualitative properties. It achieves competitive likelihood and predictive accuracy on real and synthetic datasets, including under missing-data conditions.

Universal style transfer aims to transfer arbitrary visual styles to content images. Existing feed-forward based methods, while enjoying the inference efficiency, are mainly limited by inability of generalizing to unseen styles or compromised visual quality. In this paper, we present a simple yet effective method that tackles these limitations without training on any pre-defined styles. The key ingredient of our method is a pair of feature transforms, whitening and coloring, that are embedded to an image reconstruction network. The whitening and coloring transforms reflect direct matching of feature covariance of the content image to a given style image, which shares similar spirits with the optimization of Gram matrix based cost in neural style transfer. We demonstrate the effectiveness of our algorithm by generating high-quality stylized images with comparisons to a number of recent methods. We also analyze our method by visualizing the whitened features and synthesizing textures by simple feature coloring.

The past decade has seen a revolution in genomic technologies that enabled a flood of genome-wide profiling of chromatin marks. Recent literature tried to understand gene regulation by predicting gene expression from large-scale chromatin measurements. Two fundamental challenges exist for such learning tasks: (1) genome-wide chromatin signals are spatially structured, high-dimensional and highly modular; and (2) the core aim is to understand what are the relevant factors and how they work together. Previous studies either failed to model complex dependencies among input signals or relied on separate feature analysis to explain the decisions. This paper presents an attention-based deep learning approach; AttentiveChrome, that uses a unified architecture to model and to interpret dependencies among chromatin factors for controlling gene regulation. AttentiveChrome uses a hierarchy of multiple Long Short-Term Memory (LSTM) modules to encode the input signals and to model how various chromatin marks cooperate automatically. AttentiveChrome trains two levels of attention jointly with the target prediction, enabling it to attend differentially to relevant marks and to locate important positions per mark. We evaluate the model across 56 different cell types (tasks) in human. Not only is the proposed architecture more accurate, but its attention scores also provide a better interpretation than state-of-the-art feature visualization methods such as saliency map.

Visual dialog is a task of answering a series of inter-dependent questions given an input image, and often requires to resolve visual references among the questions. This problem is different from visual question answering (VQA), which relies on spatial attention ({\em a.k.a. visual grounding}) estimated from an image and question pair. We propose a novel attention mechanism that exploits visual attentions in the past to resolve the current reference in the visual dialog scenario. The proposed model is equipped with an associative attention memory storing a sequence of previous (attention, key) pairs. From this memory, the model retrieves previous attention, taking into account recency, that is most relevant for the current question, in order to resolve potentially ambiguous reference(s). The model then merges the retrieved attention with the tentative one to obtain the final attention for the current question; specifically, we use dynamic parameter prediction to combine the two attentions conditioned on the question. Through extensive experiments on a new synthetic visual dialog dataset, we show that our model significantly outperforms the state-of-the-art (by ~16 % points) in the situation where the visual reference resolution plays an important role. Moreover, the proposed model presents superior performance (~2 % points improvement) in the Visual Dialog dataset, despite having significantly fewer parameters than the baselines.

This paper proposes the novel Pose Guided Person Generation Network (PG$^2$) that allows to synthesize person images in arbitrary poses, based on an image of that person and a novel pose. Our generation framework PG$^2$ utilizes the pose information explicitly and consists of two key stages: pose integration and image refinement. In the first stage the condition image and the target pose are fed into a U-Net-like network to generate an initial but coarse image of the person with the target pose. The second stage then refines the initial and blurry result by training a U-Net-like generator in an adversarial way. Extensive experimental results on both 128$\times$64 re-identification images and 256$\times$256 fashion photos show that our model generates high-quality person images with convincing details.

Many image-to-image translation problems are ambiguous, as a single input image may correspond to multiple possible outputs. In this work, we aim to model a distribution of possible outputs in a conditional generative modeling setting. The ambiguity of the mapping is distilled in a low-dimensional latent vector, which can be randomly sampled at test time. A generator learns to map the given input, combined with this latent code, to the output. We explicitly encourage the connection between output and the latent code to be invertible. This helps prevent a many-to-one mapping from the latent code to the output during training, also known as the problem of mode collapse, and produces more diverse results. We explore several variants of this approach by employing different training objectives, network architectures, and methods of injecting the latent code. Our proposed method encourages bijective consistency between the latent encoding and output modes. We present a systematic comparison of our method and other variants on both perceptual realism and diversity.

We propose ThalNet, a deep learning model inspired by neocortical communication via the thalamus. Our model consists of recurrent neural modules that send features through a routing center, endowing the modules with the flexibility to share features over multiple time steps. We show that our model learns to route information hierarchically, processing input data by a chain of modules. We observe common architectures, such as feed forward neural networks and skip connections, emerging as special cases of our architecture, while novel connectivity patterns are learned for the text8 compression task. Our model outperforms standard recurrent neural networks on several sequential benchmarks.

Deep learning requires data. A useful approach to obtain data is to be creative and mine data from various sources, that were created for different purposes. Unfortunately, this approach often leads to noisy labels. In this paper, we propose a meta algorithm for tackling the noisy labels problem. The key idea is to decouple ``when to update'' from ``how to update''. We demonstrate the effectiveness of our algorithm by mining data for gender classification by combining the Labeled Faces in the Wild (LFW) face recognition dataset with a textual genderizing service, which leads to a noisy dataset. While our approach is very simple to implement, it leads to state-of-the-art results. We analyze some convergence properties of the proposed algorithm.

Dropout-based regularization methods can be regarded as injecting random noise with pre-defined magnitude to different parts of the neural network during training. It was recently shown that Bayesian dropout procedure not only improves gener- alization but also leads to extremely sparse neural architectures by automatically setting the individual noise magnitude per weight. However, this sparsity can hardly be used for acceleration since it is unstructured. In the paper, we propose a new Bayesian model that takes into account the computational structure of neural net- works and provides structured sparsity, e.g. removes neurons and/or convolutional channels in CNNs. To do this we inject noise to the neurons outputs while keeping the weights unregularized. We establish the probabilistic model with a proper truncated log-uniform prior over the noise and truncated log-normal variational approximation that ensures that the KL-term in the evidence lower bound is com- puted in closed-form. The model leads to structured sparsity by removing elements with a low SNR from the computation graph and provides significant acceleration on a number of deep neural architectures. The model is easy to implement as it can be formulated as a separate dropout-like layer.

We develop a class of algorithms, as variants of the stochastically controlled stochastic gradient (SCSG) methods , for the smooth nonconvex finite-sum optimization problem. Only assuming the smoothness of each component, the complexity of SCSG to reach a stationary point with $E \|\nabla f(x)\|^{2}\le \epsilon$ is $O(\min\{\epsilon^{-5/3}, \epsilon^{-1}n^{2/3}\})$, which strictly outperforms the stochastic gradient descent. Moreover, SCSG is never worse than the state-of-the-art methods based on variance reduction and it significantly outperforms them when the target accuracy is low. A similar acceleration is also achieved when the functions satisfy the Polyak-Lojasiewicz condition. Empirical experiments demonstrate that SCSG outperforms stochastic gradient methods on training multi-layers neural networks in terms of both training and validation loss.

DR-submodular continuous functions are important objectives with wide real-world applications spanning MAP inference in determinantal point processes (DPPs), and mean-field inference for probabilistic submodular models, amongst others. DR-submodularity captures a subclass of non-convex functions that enables both exact minimization and approximate maximization in polynomial time. In this work we study the problem of maximizing non-monotone DR-submodular continuous functions under general down-closed convex constraints. We start by investigating geometric properties that underlie such objectives, e.g., a strong relation between (approximately) stationary points and global optimum is proved. These properties are then used to devise two optimization algorithms with provable guarantees. Concretely, we first devise a "two-phase'' algorithm with 1/4 approximation guarantee. This algorithm allows the use of existing methods for finding (approximately) stationary points as a subroutine, thus, harnessing recent progress in non-convex optimization. Then we present a non-monotone Frank-Wolfe variant with 1/e approximation guarantee and sublinear convergence rate. Finally, we extend our approach to a broader class of generalized DR-submodular continuous functions, which captures a wider spectrum of applications. Our theoretical findings are validated on synthetic and real-world problem instances.

We consider the problem of solving a large-scale Quadratically Constrained Quadratic Program. Such problems occur naturally in many scientific and web applications. Although there are efficient methods which tackle this problem, they are mostly not scalable. In this paper, we develop a method that transforms the quadratic constraint into a linear form by a sampling a set of low-discrepancy points. The transformed problem can then be solved by applying any state-of-the-art large-scale solvers. We show the convergence of our approximate solution to the true solution as well as some finite sample error bounds. Experimental results are also shown to prove scalability in practice.

We propose a generic algorithmic building block to accelerate training of machine learning models on heterogeneous compute systems. Our scheme allows to efficiently employ compute accelerators such as GPUs and FPGAs for the training of large-scale machine learning models, when the training data exceeds their memory capacity. Also, it provides adaptivity to any system's memory hierarchy in terms of size and processing speed. Our technique is built upon novel theoretical insights regarding primal-dual coordinate methods, and uses duality gap information to dynamically decide which part of the data should be made available for fast processing. To illustrate the power of our approach we demonstrate its performance for training of generalized linear models on a large-scale dataset exceeding the memory size of a modern GPU, showing an order-of-magnitude speedup over existing approaches.

We discover a screening rule for l1-regularized Ising model estimation. The simple closed-form screening rule is a necessary and sufficient condition for exactly recovering the blockwise structure of a solution under any given regularization parameters. With enough sparsity, the screening rule can be combined with various optimization procedures to deliver solutions efficiently in practice. The screening rule is especially suitable for large-scale exploratory data analysis, where the number of variables in the dataset can be thousands while we are only interested in the relationship among a handful of variables within moderate-size clusters for interpretability. Experimental results on various datasets demonstrate the efficiency and insights gained from the introduction of the screening rule.

We prove near-tight concentration of measure for polynomial functions of the Ising model, under high temperature, improving the radius of concentration guaranteed by known results by polynomial factors in the dimension (i.e.~the number of nodes in the Ising model). We show that our results are optimal up to logarithmic factors in the dimension. We obtain our results by extending and strengthening the exchangeable-pairs approach used to prove concentration of measure in this setting by Chatterjee. We demonstrate the efficacy of such functions as statistics for testing the strength of interactions in social networks in both synthetic and real world data.

Many applications of machine learning, for example in health care, would benefit from methods that can guarantee privacy of data subjects. Differential privacy (DP) has become established as a standard for protecting learning results. The standard DP algorithms require a single trusted party to have access to the entire data, which is a clear weakness, or add prohibitive amounts of noise. We consider DP Bayesian learning in a distributed setting, where each party only holds a single sample or a few samples of the data. We propose a learning strategy based on a secure multi-party sum function for aggregating summaries from data holders and the Gaussian mechanism for DP. Our method builds on an asymptotically optimal and practically efficient DP Bayesian inference with rapidly diminishing extra cost.

We consider the problem of non-parametric Conditional Independence testing (CI testing) for continuous random variables. Given i.i.d samples from the joint distribution $f(x,y,z)$ of continuous random vectors $X,Y$ and $Z,$ we determine whether $X \independent Y \vert Z$. We approach this by converting the conditional independence test into a classification problem. This allows us to harness very powerful classifiers like gradient-boosted trees and deep neural networks. These models can handle complex probability distributions and allow us to perform significantly better compared to the prior state of the art, for high-dimensional CI testing. The main technical challenge in the classification problem is the need for samples from the conditional product distribution $f^{CI}(x,y,z) = f(x|z)f(y|z)f(z)$ -- the joint distribution if and only if $X \independent Y \vert Z.$ -- when given access only to i.i.d. samples from the true joint distribution $f(x,y,z)$. To tackle this problem we propose a novel nearest neighbor bootstrap procedure and theoretically show that our generated samples are indeed close to $f^{CI}$ in terms of total variational distance. We then develop theoretical results regarding the generalization bounds for classification for our problem, which translate into error bounds for CI testing. We provide a novel analysis of Rademacher type classification bounds in the presence of non-i.i.d \textit{near-independent} samples. We empirically validate the performance of our algorithm on simulated and real datasets and show performance gains over previous methods.

This paper studies the numerical computation of integrals, representing estimates or predictions, over the output $f(x)$ of a computational model with respect to a distribution $p(\mathrm{d}x)$ over uncertain inputs $x$ to the model. For the functional cardiac models that motivate this work, neither $f$ nor $p$ possess a closed-form expression and evaluation of either requires $\approx$ 100 CPU hours, precluding standard numerical integration methods. Our proposal is to treat integration as an estimation problem, with a joint model for both the a priori unknown function $f$ and the a priori unknown distribution $p$. The result is a posterior distribution over the integral that explicitly accounts for dual sources of numerical approximation error due to a severely limited computational budget. This construction is applied to account, in a statistically principled manner, for the impact of numerical errors that (at present) are confounding factors in functional cardiac model assessment.

Gaussian processes are rich distributions over functions, with generalization properties determined by a kernel function. When used for long-range extrapolation, predictions are particularly sensitive to the choice of kernel parameters. It is therefore critical to account for kernel uncertainty in our predictive distributions. We propose a distribution over kernels formed by modelling a spectral mixture density with a Levy process. The resulting distribution has support for all stationary covariances---including the popular RBF, periodic, and Matern kernels---combined with inductive biases which enable automatic and data efficient learning, long-range extrapolation, and state of the art predictive performance. The proposed model also presents an approach to spectral regularization, as the Levy process introduces a sparsity-inducing prior over mixture components, allowing automatic selection over model order and pruning of extraneous components. We exploit the algebraic structure of the proposed process for O(n) training and O(1) predictions. We perform extrapolations having reasonable uncertainty estimates on several benchmarks, show that the proposed model can recover flexible ground truth covariances and that it is robust to errors in initialization.

One of the main challenges in reinforcement learning (RL) is generalisation. In typical deep RL methods this is achieved by approximating the optimal value function with a low-dimensional representation using a deep network. While this approach works well in many domains, in domains where the optimal value function cannot easily be reduced to a low-dimensional representation, learning can be very slow and unstable. This paper contributes towards tackling such challenging domains, by proposing a new method, called Hybrid Reward Architecture (HRA). HRA takes as input a decomposed reward function and learns a separate value function for each component reward function. Because each component typically only depends on a subset of all features, the corresponding value function can be approximated more easily by a low-dimensional representation, enabling more effective learning. We demonstrate HRA on a toy-problem and the Atari game Ms. Pac-Man, where HRA achieves above-human performance.

With the increasing popularity of machine learning techniques, it has become common to see prediction algorithms operating within some larger process. However, the criteria by which we train these algorithms often differ from the ultimate criteria on which we evaluate them. This paper proposes an end-to-end approach for learning probabilistic machine learning models in a manner that directly captures the ultimate task-based objective for which they will be used, within the context of stochastic programming. We present three experimental evaluations of the proposed approach: a classical inventory stock problem, a real-world electrical grid scheduling task, and a real-world energy storage arbitrage task. We show that the proposed approach can outperform both traditional modeling and purely black-box policy optimization approaches in these applications.

The expressive power of neural networks is important for understanding deep learning. Most existing works consider this problem from the view of the depth of a network. In this paper, we study how width affects the expressiveness of neural networks. Classical results state that depth-bounded (e.g. depth-2) networks with suitable activation functions are universal approximators. We show a universal approximation theorem for width-bounded ReLU networks: width-(n + 4) ReLU networks, where n is the input dimension, are universal approximators. Moreover, except for a measure zero set, all functions cannot be approximated by width-n ReLU networks, which exhibits a phase transition. Several recent works demonstrate the benefits of depth by proving the depth-efficiency of neural networks. That is, there are classes of deep networks which cannot be realized by any shallow network whose size is no more than an exponential bound. Here we pose the dual question on the width-efficiency of ReLU networks: Are there wide networks that cannot be realized by narrow networks whose size is not substantially larger? We show that there exist classes of wide networks which cannot be realized by any narrow network whose depth is no more than a polynomial bound. On the other hand, we demonstrate by extensive experiments that narrow networks whose size exceed the polynomial bound by a constant factor can approximate wide and shallow network with high accuracy. Our results provide more comprehensive evidence that depth may be more effective than width for the expressiveness of ReLU networks.

We present a novel parallelisation scheme that simplifies the adaptation of learning algorithms to growing amounts of data as well as growing needs for accurate and confident predictions in critical applications. In contrast to other parallelisation techniques, it can be applied to a broad class of learning algorithms without further mathematical derivations and without writing dedicated code, while at the same time maintaining theoretical performance guarantees. Moreover, our parallelisation scheme is able to reduce the runtime of many learning algorithms to polylogarithmic time on quasi-polynomially many processing units. This is a significant step towards a general answer to an open question~\citep{long_algorithms_2013} on efficient parallelisation of machine learning algorithms in the sense of Nick's Class ($\mathcal{NC}$). The cost of this parallelisation is in the form of a larger sample complexity. Our empirical study confirms the potential of our parallelisation scheme with fixed numbers of processors and instances in realistic application scenarios.

We study the problem of interactively learning a binary classifier using noisy labeling and pairwise comparison oracles, where the comparison oracle answers which one in the given two instances is more likely to be positive. Learning from such oracles has multiple applications where obtaining direct labels is harder but pairwise comparisons are easier, and the algorithm can leverage both types of oracles. In this paper, we attempt to characterize how the access to an easier comparison oracle helps in improving the label and total query complexity. We show that the comparison oracle reduces the learning problem to that of learning a threshold function. We then present an algorithm that interactively queries the label and comparison oracles and we characterize its query complexity under Tsybakov and adversarial noise conditions for the comparison and labeling oracles. Our lower bounds show that our label and total query complexity is almost optimal.

We provide new results for noise-tolerant and sample-efficient learning algorithms under $s$-concave distributions. The new class of $s$-concave distributions is a broad and natural generalization of log-concavity, and includes many important additional distributions, e.g., the Pareto distribution and $t$ distribution. This class has been studied in the context of efficient sampling, integration, and optimization, but much remains unknown about the geometry of this class of distributions and their applications in the context of learning. The challenge is that unlike the commonly used distributions in learning (uniform or more generally log-concave distributions), this broader class is not closed under the marginalization operator and many such distributions are fat-tailed. In this work, we introduce new convex geometry tools to study the properties of s concave distributions and use these properties to provide bounds on quantities of interest to learning including the probability of disagreement between two halfspaces, disagreement outside a band, and disagreement coefficient. We use these results to significantly generalize prior results for margin-based active learning, disagreement-based active learning, and passively learning of intersections of halfspaces. Our analysis of geometric properties of $s$-concave distributions might be of independent interest to optimization more broadly.

Learning the directed acyclic graph (DAG) structure of a Bayesian network from observational data is a notoriously difficult problem for which many non-identifiability and hardness results are known. In this paper we propose a provably polynomial-time algorithm for learning sparse Gaussian Bayesian networks with equal noise variance --- a class of Bayesian networks for which the DAG structure can be uniquely identified from observational data --- under high-dimensional settings. We show that $O(k^4 \log p)$ number of samples suffices for our method to recover the true DAG structure with high probability, where $p$ is the number of variables and $k$ is the maximum Markov blanket size. We obtain our theoretical guarantees under a condition called \emph{restricted strong adjacency faithfulness} (RSAF), which is strictly weaker than strong faithfulness --- a condition that other methods based on conditional independence testing need for their success. The sample complexity of our method matches the information-theoretic limits in terms of the dependence on $p$. We validate our theoretical findings through synthetic experiments.

We show that given an estimate $\widehat{\mat A}$ that is close to a general high-rank positive semi-definite (PSD) matrix $\mat A$ in spectral norm (i.e., $\|\widehat{\mat A}-\mat A\|_2 \leq \delta$), the simple truncated Singular Value Decomposition of $\widehat{\mat A}$ produces a multiplicative approximation of $\mat A$ in Frobenius norm. This observation leads to many interesting results on general high-rank matrix estimation problems: 1.High-rank matrix completion: we show that it is possible to recover a {general high-rank matrix} $\mat A$ up to $(1+\varepsilon)$ relative error in Frobenius norm from partial observations, with sample complexity independent of the spectral gap of $\mat A$. 2.High-rank matrix denoising: we design algorithms that recovers a matrix $\mat A$ with relative error in Frobenius norm from its noise-perturbed observations, without assuming $\mat A$ is exactly low-rank. 3.Low-dimensional estimation of high-dimensional covariance: given $N$ i.i.d.~samples of dimension $n$ from $\mathcal N_n(\mat 0,\mat A)$, we show that it is possible to estimate the covariance matrix $\mat A$ with relative error in Frobenius norm with $N\approx n$,improving over classical covariance estimation results which requires $N\approx n^2$.

Generative Adversarial Networks (GAN) are an effective method for training generative models of complex data such as natural images. However, they are notoriously hard to train and can suffer from the problem of missing modes where the model is not able to produce examples in certain regions of the space. We propose an iterative procedure, called AdaGAN, where at every step we add a new component into a mixture model by running a GAN algorithm on a re-weighted sample. This is inspired by boosting algorithms, where many potentially weak individual predictors are greedily aggregated to form a strong composite predictor. We prove analytically that such an incremental procedure leads to convergence to the true distribution in a finite number of steps if each step is optimal, and convergence at an exponential rate otherwise. We also illustrate experimentally that this procedure addresses the problem of missing modes.

Discovering a correlation from one variable to another variable is of fundamental scientific and practical interest. While existing correlation measures are suitable for discovering average correlation, they fail to discover hidden or potential correlations. To bridge this gap, (i) we postulate a set of natural axioms that we expect a measure of potential correlation to satisfy; (ii) we show that the rate of information bottleneck, i.e., the hypercontractivity coefficient, satisfies all the proposed axioms; (iii) we provide a novel estimator to estimate the hypercontractivity coefficient from samples; and (iv) we provide numerical experiments demonstrating that this proposed estimator discovers potential correlations among various indicators of WHO datasets, is robust in discovering gene interactions from gene expression time series data, and is statistically more powerful than the estimators for other correlation measures in binary hypothesis testing of canonical examples of potential correlations.

We have figured out how to write to the genome using DNA editing, but we don't know what the outcomes of genetic modifications will be. This is called the "genotype-phenotype gap". To close the gap, we need to reverse-engineer the genetic code, which is very hard because biology is too complicated and noisy for human interpretation. Machine learning and AI are needed. The data? Six billion letters per genome, hundreds of thousands of types of biomolecules, hundreds of cell types, over seven billion people on the planet. A new generation of "Bio-AI" researchers are poised to crack the problem, but we face extraordinary challenges. I'll discuss these challenges, focusing on which branches of AI and machine learning will have the most impact and why.

In this paper, we propose to adopt the diffusion approximation tools to study the dynamics of Oja's iteration which is an online stochastic gradient method for the principal component analysis. Oja's iteration maintains a running estimate of the true principal component from streaming data and enjoys less temporal and spatial complexities. We show that the Oja's iteration for the top eigenvector generates a continuous-state discrete-time Markov chain over the unit sphere. We characterize the Oja's iteration in three phases using diffusion approximation and weak convergence tools. Our three-phase analysis further provides a finite-sample error bound for the running estimate, which matches the minimax information lower bound for PCA under bounded noise.

Non-convex optimization with local search heuristics has been widely used in machine learning, achieving many state-of-art results. It becomes increasingly important to understand why they can work for these NP-hard problems on typical data. The landscape of many objective functions in learning has been conjectured to have the geometric property that ``all local optima are (approximately) global optima'', and thus they can be solved efficiently by local search algorithms. However, establishing such property can be very difficult. In this paper, we analyze the optimization landscape of the random over-complete tensor decomposition problem, which has many applications in unsupervised leaning, especially in learning latent variable models. In practice, it can be efficiently solved by gradient ascent on a non-convex objective. We show that for any small constant $\epsilon > 0$, among the set of points with function values $(1+\epsilon)$-factor larger than the expectation of the function, all the local maxima are approximate global maxima. Previously, the best-known result only characterizes the geometry in small neighborhoods around the true components. Our result implies that even with an initialization that is barely better than the random guess, the gradient ascent algorithm is guaranteed to solve this problem. Our main technique uses Kac-Rice formula and random matrix theory. To our best knowledge, this is the first time when Kac-Rice formula is successfully applied to counting the number of local minima of a highly-structured random polynomial with dependent coefficients.

From only \emph{positive}~(P) and \emph{unlabeled}~(U) data, a binary classifier can be trained with PU learning, in which the state of the art is \emph{unbiased PU learning}. However, if its model is very flexible, its empirical risk on training data will go negative and we will suffer from serious overfitting. In this paper, we propose a \emph{non-negative risk estimator} for PU learning. When being minimized, it is more robust against overfitting and thus we are able to train very flexible models given limited P data. Moreover, we analyze the \emph{bias}, \emph{consistency} and \emph{mean-squared-error reduction} of the proposed risk estimator and the \emph{estimation error} of the corresponding risk minimizer. Experiments show that the proposed risk estimator successfully fixes the overfitting problem of its unbiased counterparts.

We consider robust optimization problems, where the goal is to optimize in the worst case over a class of objective functions. We develop a reduction from robust improper optimization to Bayesian optimization: given an oracle that returns $\alpha$-approximate solutions for distributions over objectives, we compute a distribution over solutions that is $\alpha$-approximate in the worst case. We show that derandomizing this solution is NP-hard in general, but can be done for a broad class of statistical learning tasks. We apply our results to robust neural network training and submodular optimization. We evaluate our approach experimentally on a character classification task subject to adversarial distortion, and robust influence maximization on large networks.

Hierarchical clustering is a data analysis method that has been used for decades. Despite its widespread use, there is a lack of an analytical foundation for the method. Having such a foundation would both support the methods currently used and guide future improvements. This paper gives an applied algorithmic foundation for hierarchical clustering. The goal of this paper is to give an analytic framework supporting observations seen in practice. This paper considers the dual of a problem framework for hierarchical clustering introduced by Dasgupta. The main results are that one of the most popular algorithms used in practice, average-linkage agglomerative clustering, has a small constant approximation ratio. Further, this paper establishes that using recursive $k$-means divisive clustering has a very poor lower bound on its approximation ratio, perhaps explaining why is it not as popular in practice. Motivated by the poor performance of $k$-means, we seek to find divisive algorithms that do perform well theoretically and this paper gives two constant approximation algorithms. This paper represents some of the first work giving a foundation for hierarchical clustering algorithms used in practice.

Bayesian optimization has shown success in global optimization of expensive-to-evaluate multimodal objective functions. However, unlike most optimization methods, Bayesian optimization typically does not use derivative information. In this paper we show how Bayesian optimization can exploit derivative information to find good solutions with fewer objective function evaluations. In particular, we develop a novel Bayesian optimization algorithm, the derivative-enabled knowledge-gradient (dKG), which is one-step Bayes-optimal, asymptotically consistent, and provides greater one-step value of information than in the derivative-free setting. dKG accommodates noisy and incomplete derivative information, comes in both sequential and batch forms, and can optionally reduce the computational cost of inference through automatically selected retention of a single directional derivative. We also compute the dKG acquisition function and its gradient using a novel fast discretization-free technique. We show dKG provides state-of-the-art performance compared to a wide range of optimization procedures with and without gradients, on benchmarks including logistic regression, deep learning, kernel learning, and k-nearest neighbors.

The recently proposed Temporal Ensembling has achieved state-of-the-art results in several semi-supervised learning benchmarks. It maintains an exponential moving average of label predictions on each training example, and penalizes predictions that are inconsistent with this target. However, because the targets change only once per epoch, Temporal Ensembling becomes unwieldy when learning large datasets. To overcome this problem, we propose Mean Teacher, a method that averages model weights instead of label predictions. As an additional benefit, Mean Teacher improves test accuracy and enables training with fewer labels than Temporal Ensembling. Mean Teacher achieves error rate 4.35\% on SVHN with 250 labels, better than Temporal Ensembling does with 1000 labels.

Although gradient descent (GD) almost always escapes saddle points asymptotically [Lee et al., 2016], this paper shows that even with fairly natural random initialization schemes and non-pathological functions, GD can be significantly slowed down by saddle points, and can take exponential time to escape. On the other hand, gradient descent with perturbations [Ge et al., 2015, Jin et al., 2017] is not slowed down by saddle points—it can find an approximate local minimizer in polynomial time. This result concludes that gradient descent is inherently slower, and justifies the importance of adding perturbations for efficient non-convex optimization. Experiments are also provided to demonstrate our theoretical findings.

Parallel implementations of stochastic gradient descent (SGD) have received significant research attention, thanks to its excellent scalability properties. A fundamental barrier when parallelizing SGD is the high bandwidth cost of communicating gradient updates between nodes; consequently, several lossy compresion heuristics have been proposed, by which nodes only communicate quantized gradients. Although effective in practice, these heuristics do not always guarantee convergence, and it is not clear whether they can be improved. In this paper, we propose Quantized SGD (QSGD), a family of compression schemes for gradient updates which provides convergence guarantees. QSGD allows the user to smoothly trade off \emph{communication bandwidth} and \emph{convergence time}: nodes can adjust the number of bits sent per iteration, at the cost of possibly higher variance. We show that this trade-off is inherent, in the sense that improving it past some threshold would violate information-theoretic lower bounds. QSGD guarantees convergence for convex and non-convex objectives, under asynchrony, and can be extended to stochastic variance-reduced techniques. When applied to training deep neural networks for image classification and automated speech recognition, QSGD leads to significant reductions in end-to-end training time. For example, on 16GPUs, we can train the ResNet152 network to full accuracy on ImageNet 1.8x faster than the full-precision variant.

Computing optimal transport distances such as the earth mover's distance is a fundamental problem in machine learning, statistics, and computer vision. Despite the recent introduction of several algorithms with good empirical performance, it is unknown whether general optimal transport distances can be approximated in near-linear time. This paper demonstrates that this ambitious goal is in fact achieved by Cuturi's Sinkhorn Distances, and provides guidance towards parameter tuning for this algorithm. This result relies on a new analysis of Sinkhorn iterations that also directly suggests a new algorithm Greenkhorn with the same theoretical guarantees. Numerical simulations clearly illustrate that Greenkhorn significantly outperforms the classical Sinkhorn algorithm in practice.

Hypergraph partitioning is an important problem in machine learning, computer vision and network analytics. A widely used method for hypergraph partitioning relies on minimizing a normalized sum of the costs of partitioning hyperedges across clusters. Algorithmic solutions based on this approach assume that different partitions of a hyperedge incur the same cost. However, this assumption fails to leverage the fact that different subsets of vertices within the same hyperedge may have different structural importance. We hence propose a new hypergraph clustering technique, termed inhomogeneous hypergraph partitioning, which assigns different costs to different hyperedge cuts. We prove that inhomogeneous partitioning produces a quadratic approximation to the optimal solution if the inhomogeneous costs satisfy submodularity constraints. Moreover, we demonstrate that inhomogenous partitioning offers significant performance improvements in applications such as structure learning of rankings, subspace segmentation and motif clustering.

We study the conditions under which one is able to efficiently apply variance-reduction and acceleration schemes on finite sums problems. First, we show that perhaps surprisingly, the finite sum structure, by itself, is not sufficient for obtaining a complexity bound of $\tilde{\cO}((n+L/\mu)\ln(1/\epsilon))$ for $L$-smooth and $\mu$-strongly convex finite sums - one must also know exactly which individual function is being referred to by the oracle at each iteration. Next, we show that for a broad class of first-order and coordinate-descent finite sums algorithms (including, e.g., SDCA, SVRG, SAG), it is not possible to get an `accelerated' complexity bound of $\tilde{\cO}((n+\sqrt{n L/\mu})\ln(1/\epsilon))$, unless the strong convexity parameter is given explicitly. Lastly, we show that when this class of algorithms is used for minimizing $L$-smooth and non-strongly convex finite sums, the optimal complexity bound is $\tilde{\cO}(n+L/\epsilon)$, assuming that (on average) the same update rule is used for any iteration, and $\tilde{\cO}(n+\sqrt{nL/\epsilon})$, otherwise.

We show experimentally that the algorithm CLARANS of Ng and Han (1994) finds better K-medoids solutions than the Voronoi iteration algorithm of Hastie et al. (2001). This finding, along with the similarity between the Voronoi iteration algorithm and Lloyd's $K$-means algorithm, motivates us to use CLARANS as a K-means initializer. We show that CLARANS outperforms other algorithms on 23/23 datasets with a mean decrease over k-means-++ of 30% for initialization mean squared error (MSE) and 3% for final MSE. We introduce algorithmic improvements to CLARANS which improve its complexity and runtime, making it an extremely viable initialization scheme for large datasets.

We study implicit regularization when optimizing an underdetermined quadratic objective over a matrix $X$ with gradient descent on a factorization of X. We conjecture and provide empirical and theoretical evidence that with small enough step sizes and initialization close enough to the origin, gradient descent on a full dimensional factorization converges to the minimum nuclear norm solution.

We study online learning with the general notion of transductive regret, that is regret with modification rules applying to expert sequences (as opposed to single experts) that are representable by weighted finite-state transducers. We show how transductive regret generalizes existing notions of regret, including: (1) external regret; (2) internal regret; (3) swap regret; and (4) conditional swap regret. We present a general online learning algorithm for minimizing transductive regret. We further extend this work to design efficient algorithms for the time-selection and sleeping expert settings. A by-product of our study is an algorithm for swap regret, which, under mild assumptions, is more efficient than existing methods.

We propose a rank-k variant of the classical Frank-Wolfe algorithm to solve convex minimization over a trace-norm ball. Our algorithm replaces the top singular-vector computation (1-SVD) of Frank-Wolfe with a top-k singular-vector computation (k-SVD), and this can be done by repeatedly applying 1-SVD k times. Our algorithm has a linear convergence rate when the objective function is smooth and strongly convex, and the optimal solution has rank at most k. This improves the convergence rate and the total complexity of the Frank-Wolfe method and its variants.

Singular values of a data in a matrix form provide insights on the structure of the data, the effective dimensionality, and the choice of hyper-parameters on higher-level data analysis tools. However, in many practical applications such as collaborative filtering and network analysis, we only get a partial observation. Under such scenarios, we consider the fundamental problem of recovering various spectral properties of the underlying matrix from a sampling of its entries. We propose a framework of first estimating the Schatten $k$-norms of a matrix for several values of $k$, and using these as surrogates for estimating spectral properties of interest, such as the spectrum itself or the rank. This paper focuses on the technical challenges in accurately estimating the Schatten norms from a sampling of a matrix. We introduce a novel unbiased estimator based on counting small structures in a graph and provide guarantees that match its empirical performances. Our theoretical analysis shows that Schatten norms can be recovered accurately from strictly smaller number of samples compared to what is needed to recover the underlying low-rank matrix. Numerical experiments suggest that we significantly improve upon a competing approach of using matrix completion methods.

We formulate and study a general family of (continuous-time) stochastic dynamics for accelerated first-order minimization of smooth convex functions. Building on an averaging formulation of accelerated mirror descent, we propose a stochastic variant in which the gradient is contaminated by noise, and study the resulting stochastic differential equation. We prove a bound on the rate of change of an energy function associated to the problem, then use it to derive estimates of convergence rates of the function values, (a.s. and in expectation) both for persistent and asymptotically vanishing noise. We discuss the interaction between the parameters of the dynamics (learning rate and averaging weights) and the co-variation of the noise process, and show, in particular, how the asymptotic rate of co-variation affects the choice of parameters and, ultimately, the convergence rate.

Source coding is the canonical problem of data compression in information theory. In a {\em 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, that 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 done 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.

The coordinate descent (CD) methods have seen a resurgence of recent interest because of their applicability in machine learning as well as large scale data analysis and superior empirical performance. CD methods have two variants, cyclic coordinate descent (CCD) and randomized coordinate descent (RCD) which are deterministic and randomized versions of the CD methods. In light of the recent results in the literature, there is the common perception that RCD always dominates CCD in terms of performance. In this paper, we question this perception and provide examples and more generally problem classes for which CCD (or CD with any deterministic order) is faster than RCD in terms of asymptotic worst-case convergence. Furthermore, we provide lower and upper bounds on the amount of improvement on the rate of deterministic CD relative to RCD. The amount of improvement depend on the deterministic order used. We also provide a characterization of the best deterministic order (that leads to the maximum improvement in convergence rate) in terms of the combinatorial properties of the Hessian matrix of the objective function.

Computer scientists are increasingly concerned about the many ways that machine learning can reproduce and reinforce forms of bias. When ML systems are incorporated into core social institutions, like healthcare, criminal justice and education, issues of bias and discrimination can be extremely serious. But what can be done about it? Part of the trouble with bias in machine learning in high-stakes decision making is that it can be the result of one or many factors: the training data, the model, the system goals, and whether the system works less well for some populations, among several others. Given the difficulty of understanding how a machine learning system produced a particular result, bias is often discovered after a system has been producing unfair results in the wild. But there is another problem as well: the definition of bias changes significantly depending on your discipline, and there are exciting approaches from other fields that have not yet been included by computer science. This talk will look at the recent literature on bias in machine learning, consider how we can incorporate approaches from the social sciences, and offer new strategies to address bias.

In many machine learning applications, it is important to explain the predictions of a black-box classifier. For example, why does a deep neural network assign an image to a particular class? We cast interpretability of black-box classifiers as a combinatorial maximization problem and propose an efficient streaming algorithm to solve it subject to cardinality constraints. By extending ideas from Badanidiyuru et al. [2014], we provide a constant factor approximation guarantee for our algorithm in the case of random stream order and a weakly submodular objective function. This is the first such theoretical guarantee for this general class of functions, and we also show that no such algorithm exists for a worst case stream order. Our algorithm obtains similar explanations of Inception V3 predictions 10 times faster than the state-of-the-art LIME framework of Ribeiro et al. [2016].

Unlike perfect-information games, imperfect-information games cannot be solved by decomposing the game into subgames that are solved independently. Thus more computationally intensive equilibrium-finding techniques are used, and all decisions must consider the strategy of the game as a whole. While it is not possible to solve an imperfect-information game exactly through decomposition, it is possible to approximate solutions, or improve existing solutions, by solving disjoint subgames. This process is referred to as subgame solving. We introduce subgame solving techniques that outperform prior methods both in theory and practice. We also show how to adapt them, and past subgame-solving techniques, to respond to opponent actions that are outside the original action abstraction; this significantly outperforms the prior state-of-the-art approach, action translation. Finally, we show that subgame solving can be repeated as the game progresses down the tree, leading to significantly lower exploitability. We applied these techniques to develop the first AI to defeat top humans in heads-up no-limit Texas hold'em poker.

Understanding why a model made a certain prediction is crucial in many applications. However, with large modern datasets the best accuracy is often achieved by complex models even experts struggle to interpret, such as ensemble or deep learning models. This creates a tension between accuracy and interpretability. In response, a variety of methods have recently been proposed to help users interpret the predictions of complex models. Here, we present a unified framework for interpreting predictions, namely SHAP (SHapley Additive exPlanations), which assigns each feature an importance for a particular prediction. The key components of the SHAP framework are the identification of a class of additive feature importance measures and theoretical results that there is a unique solution in this class with a set of desired properties. This class unifies six existing methods, and several recent methods in this class do not have these desired properties. This means that our framework can inform the development of new methods for explaining prediction models. We demonstrate that several new methods we presented in this paper based on the SHAP framework show better computational performance and better consistency with human intuition than existing methods.

A key feature of neural network architectures is their ability to support the simultaneous interaction among large numbers of units in the learning and processing of representations. However, how the richness of such interactions trades off against the ability of a network to simultaneously carry out multiple independent processes -- a salient limitation in many domains of human cognition -- remains largely unexplored. In this paper we use a graph-theoretic analysis of network architecture to address this question, where tasks are represented as edges in a bipartite graph $G=(A \cup B, E)$. We define a new measure of multitasking capacity of such networks, based on the assumptions that tasks that \emph{need} to be multitasked rely on independent resources, i.e., form a matching, and that tasks \emph{can} be performed without interference if they form an induced matching. Our main result is an inherent tradeoff between the multitasking capacity and the average degree of the network that holds \emph{regardless of the network architecture}. These results are also extended to networks of depth greater than $2$. On the positive side, we demonstrate that networks that are random-like (e.g., locally sparse) can have desirable multitasking properties. Our results shed light into the parallel-processing limitations of neural systems and provide insights that may be useful for the analysis and design of parallel architectures.

Can we incorporate discrete optimization algorithms within modern machine learning models? For example, is it possible to use in deep architectures a layer whose output is the minimal cut of a parametrized graph? Given that these models are trained end-to-end by leveraging gradient information, the introduction of such layers seems very challenging due to their non-continuous output. In this paper we focus on the problem of submodular minimization, for which we show that such layers are indeed possible. The key idea is that we can continuously relax the output without sacrificing guarantees. We provide an easily computable approximation to the Jacobian complemented with a complete theoretical analysis. Finally, these contributions let us experimentally learn probabilistic log-supermodular models via a bi-level variational inference formulation.

We derive upper bounds on the generalization error of a learning algorithm in terms of the mutual information between its input and output. The upper bounds provide theoretical guidelines for striking the right balance between data fit and generalization by controlling the input-output mutual information of a learning algorithm. The results can also be used to analyze the generalization capability of learning algorithms under adaptive composition, and the bias-accuracy tradeoffs in adaptive data analytics. Our work extends and leads to nontrivial improvements on the recent results of Russo and Zou.

Estimation in generalized linear models (GLM) is complicated by the presence of constraints. One can handle constraints by maximizing a penalized log-likelihood. Penalties such as the lasso are effective in high dimensions but often lead to severe shrinkage. This paper explores instead penalizing the squared distance to constraint sets. Distance penalties are more flexible than algebraic and regularization penalties, and avoid the drawback of shrinkage. To optimize distance penalized objectives, we make use of the majorization-minimization principle. Resulting algorithms constructed within this framework are amenable to acceleration and come with global convergence guarantees. Applications to shape constraints, sparse regression, and rank-restricted matrix regression on synthetic and real data showcase the strong empirical performance of distance penalization, even under non-convex constraints.

We introduce and analyze a new technique for model reduction for deep neural networks. While large networks are theoretically capable of learning arbitrarily complex models, overfitting and model redundancy negatively affects the prediction accuracy and model variance. Our Net-Trim algorithm prunes (sparsifies) a trained network layer-wise, removing connections at each layer by solving a convex optimization program. This program seeks a sparse set of weights at each layer that keeps the layer inputs and outputs consistent with the originally trained model. The algorithms and associated analysis are applicable to neural networks operating with the rectified linear unit (ReLU) as the nonlinear activation. We present both parallel and cascade versions of the algorithm. While the latter can achieve slightly simpler models with the same generalization performance, the former can be computed in a distributed manner. In both cases, Net-Trim significantly reduces the number of connections in the network, while also providing enough regularization to slightly reduce the generalization error. We also provide a mathematical analysis of the consistency between the initial network and the retrained model. To analyze the model sample complexity, we derive the general sufficient conditions for the recovery of a sparse transform matrix. For a single layer taking independent Gaussian random vectors as inputs, we show that if the network response can be described using a maximum number of $s$ non-zero weights per node, these weights can be learned from $O(s\log N)$ samples.

This paper investigates connections between discrete and continuous approaches for decomposable submodular function minimization. We provide improved running time estimates for the state-of-the-art continuous algorithms for the problem using combinatorial arguments. We also provide a systematic experimental comparison of the two types of methods, based on a clear distinction between level-0 and level-1 algorithms.

Storing data in synthetic DNA offers the possibility of improving information density and durability by several orders of magnitude compared to current storage technologies. However, DNA data storage requires a computationally intensive process to retrieve the data. In particular, a crucial step in the data retrieval pipeline involves clustering billions of strings with respect to edit distance. We observe that datasets in this domain have many notable properties, such as containing a very large number of small clusters that are well-separated in the edit distance metric space. In this regime, existing algorithms are unsuitable because of either their long running time or low accuracy. To address this issue, we present a novel distributed algorithm for approximately computing the underlying clusters. Our algorithm converges efficiently on any dataset that satisfies certain separability properties, such as those coming from DNA storage systems. We also prove that, under these assumptions, our algorithm is robust to outliers and high levels of noise. We provide empirical justification of the accuracy, scalability, and convergence of our algorithm on real and synthetic data. Compared to the state-of-the-art algorithm for clustering DNA sequences, our algorithm simultaneously achieves higher accuracy and a 1000x speedup on three real datasets.

Given a full rank matrix X with more columns than rows consider the task of estimating the pseudo inverse $X^+$ based on the pseudo inverse of a sampled subset of columns (of size at least the number of rows). We show that this is possible if the subset of columns is chosen proportional to the squared volume spanned by the rows of the chosen submatrix (ie, volume sampling). The resulting estimator is unbiased and surprisingly the covariance of the estimator also has a closed form: It equals a specific factor times $X^+X^{+\top}$. Pseudo inverse plays an important part in solving the linear least squares problem, where we try to predict a label for each column of $X$. We assume labels are expensive and we are only given the labels for the small subset of columns we sample from $X$. Using our methods we show that the weight vector of the solution for the sub problem is an unbiased estimator of the optimal solution for the whole problem based on all column labels. We believe that these new formulas establish a fundamental connection between linear least squares and volume sampling. We use our methods to obtain an algorithm for volume sampling that is faster than state-of-the-art and for obtaining bounds for the total loss of the estimated least-squares solution on all labeled columns.

The stunning empirical successes of neural networks currently lack rigorous theoretical eplanation. What form would such an explanation take, in the face of existing complexity-theoretic lower bounds? A first step might be to show that data generated by neural networks a single hidden layer, smooth activation functions and benign input distributions can be learned efficiently. We demonstrate here a comprehensive lower bound ruling out this possibility: for a wide class of activation functions (including all currently used), and inputs drawn from any logconcave distribution, there is a family of one-hidden-layer functions whose output is a sum gate that are hard to learn in a precise sense: any statistical query algorithm (which includes all known variants of stochastic gradient descent with any loss function) needs an exponential number of queries even using tolerance inversely proportional to the input dimensionality. Moreover, this hard family of functions is realizable with a small (sublinear in dimension) number of activation units in the single hidden layer. The lower bound is also robust to small perturbations of the true weights. Systematic experiments illustrate a phase transition in the training error as predicted by the analysis.

We consider the Frank-Wolfe method for constrained convex optimization, a first-order projection-free procedure. We show that this algorithm can be recast in a different light, emerging as a special case of a particular meta-algorithm for computing equilibria (saddle points) of convex-concave zero-sum games. This equilibrium computation trick relies on the existence of no-regret online learning to both generate a sequence of iterates but also to provide a proof of convergence through vanishing regret. We show that our stated equivalence has several nice properties, particularly that it exhibits a modularity that gives rise to various old and new algorithms. We explore a few such resulting methods, and provide experimental results to demonstrate correctness and efficiency.

The Multiplicative Weights Update (MWU) method is a ubiquitous meta-algorithm that works as follows: A distribution is maintained on a certain set, and at each step the probability assigned to action $\gamma$ is multiplied by $(1 -\epsilon C(\gamma))>0$ where $C(\gamma)$ is the ``cost" of action $\gamma$ and then rescaled to ensure that the new values form a distribution. We analyze MWU in congestion games where agents use \textit{arbitrary admissible constants} as learning rates $\epsilon$ and prove convergence to \textit{exact Nash equilibria}. Interestingly, this convergence result does not carry over to the nearly homologous MWU variant where at each step the probability assigned to action $\gamma$ is multiplied by $(1 -\epsilon)^{C(\gamma)}$ even for the most innocuous case of two-agent, two-strategy load balancing games, where such dynamics can provably lead to limit cycles or even chaotic behavior.

We revisit the classical analysis of generative vs discriminative models for general exponential families, and high-dimensional settings. Towards this, we develop novel technical machinery, including a notion of separability of general loss functions, which allow us to provide a general framework to obtain l∞ convergence rates for general M-estimators. We use this machinery to analyze l∞ and l2 convergence rates of generative and discriminative models, and provide insights into their nuanced behaviors in high-dimensions. Our results are also applicable to differential parameter estimation, where the quantity of interest is the difference between generative model parameters.

Estimation of mutual information from observed samples is a basic primitive in machine learning, useful in several learning tasks including correlation mining, information bottleneck, Chow-Liu tree, and conditional independence testing in (causal) graphical models. While mutual information is a quantity well-defined for general probability spaces, estimators have been developed only in the special case of discrete or continuous pairs of random variables. Most of these estimators operate using the 3H -principle, i.e., by calculating the three (differential) entropies of X, Y and the pair (X,Y). However, in general mixture spaces, such individual entropies are not well defined, even though mutual information is. In this paper, we develop a novel estimator for estimating mutual information in discrete-continuous mixtures. We prove the consistency of this estimator theoretically as well as demonstrate its excellent empirical performance. This problem is relevant in a wide-array of applications, where some variables are discrete, some continuous, and others are a mixture between continuous and discrete components.

One of the key challenges of visual perception is to extract abstract models of 3D objects and object categories from visual measurements, which are affected by complex nuisance factors such as viewpoint, occlusion, motion, and deformations. Starting from the recent idea of viewpoint factorization, we propose a new approach that, given a large number of images of an object and no other supervision, can extract a dense object-centric coordinate frame. This coordinate frame is invariant to deformations of the images and comes with a dense equivariant labelling neural network that can map image pixels to their corresponding object coordinates. We demonstrate the applicability of this method to simple articulated objects and deformable objects such as human faces, learning embeddings from random synthetic transformations or optical flow correspondences, all without any manual supervision.

We propose a novel adaptive test of goodness-of-fit, with computational cost linear in the number of samples. We learn the test features that best indicate the differences between observed samples and a reference model, by minimizing the false negative rate. These features are constructed via Stein's method, meaning that it is not necessary to compute the normalising constant of the model. We analyse the asymptotic Bahadur efficiency of the new test, and prove that under a mean-shift alternative, our test always has greater relative efficiency than a previous linear-time kernel test, regardless of the choice of parameters for that test. In experiments, the performance of our method exceeds that of the earlier linear-time test, and matches or exceeds the power of a quadratic-time kernel test. In high dimensions and where model structure may be exploited, our goodness of fit test performs far better than a quadratic-time two-sample test based on the Maximum Mean Discrepancy, with samples drawn from the model.

Textual grounding is an important but challenging task for human-computer interaction, robotics and knowledge mining. Existing algorithms generally formulate the task as selection of the solution from a set of bounding box proposals obtained from deep net based systems. In this work, we demonstrate that we can cast the problem of textual grounding into a unified framework that permits efficient search over all possible bounding boxes. Hence, we able to consider significantly more proposals and, due to the unified formulation, our approach does not rely on a successful first stage. Beyond, we demonstrate that the trained parameters of our model can be used as word-embeddings which capture spatial-image relationships and provide interpretability. Lastly, our approach outperforms the current state-of-the-art methods on the Flickr 30k Entities and the ReferItGame dataset by 3.08 and 7.77 respectively.

We study the generalization properties of ridge regression with random features in the statistical learning framework. We show for the first time that $O(1/\sqrt{n})$ learning bounds can be achieved with only $O(\sqrt{n}\log n)$ random features rather than $O({n})$ as suggested by previous results. Further, we prove faster learning rates and show that they might require more random features, unless they are sampled according to a possibly problem dependent distribution. Our results shed light on the statistical computational trade-offs in large scale kernelized learning, showing the potential effectiveness of random features in reducing the computational complexity while keeping optimal generalization properties.

We develop a method for comparing hierarchical image representations in terms of their ability to explain perceptual sensitivity in humans. Specifically, we utilize Fisher information to establish a model-derived prediction of local sensitivity to perturbations around a given natural image. For a given image, we compute the eigenvectors of the Fisher information matrix with largest and smallest eigenvalues, corresponding to the model-predicted most- and least-noticeable image distortions, respectively. For human subjects, we then measure the amount of each distortion that can be reliably detected when added to the image, and compare these thresholds to the predictions of the corresponding model. We use this method to test the ability of a variety of representations to mimic human perceptual sensitivity. We find that the early layers of VGG16, a deep neural network optimized for object recognition, provide a better match to human perception than later layers, and a better match than a 4-stage convolutional neural network (CNN) trained on a database of human ratings of distorted image quality. On the other hand, we find that simple models of early visual processing, incorporating one or more stages of local gain control, trained on the same database of distortion ratings, predict human sensitivity significantly better than both the CNN and all layers of VGG16.

We initiate a systematic study of distribution learning (or density estimation) in the distributed model. In this problem the data drawn from an unknown distribution is partitioned across multiple machines. The machines must succinctly communicate with a referee so that in the end the referee can estimate the underlying distribution of the data. The problem is motivated by the pressing need to build communication-efficient protocols in various distributed systems, where power consumption or limited bandwidth impose stringent communication constraints. We give the first upper and lower bounds on the communication complexity of nonparametric density estimation of discrete probability distributions under both l1 and the l2 distances. Specifically, our results include the following: 1. In the case when the unknown distribution is arbitrary and each machine has only one sample, we show that any interactive protocol that learns the distribution must essentially communicate the entire sample. 2. In the case of structured distributions, such as $k$-histograms and monotone, we design distributed protocols that achieve better communication guarantees than the trivial ones, and show tight bounds in some regimes.

We introduce a novel scheme to train binary convolutional neural networks (CNNs) -- CNNs with weights and activations constrained to \{-1,+1\} at run-time. It has been known that using binary weights and activations drastically reduce memory size and accesses, and can replace arithmetic operations with more efficient bitwise operations, leading to much faster test-time inference and lower power consumption. However, previous works on binarizing CNNs usually result in severe prediction accuracy degradation. In this paper, we address this issue with two major innovations: (1) approximating full-precision weights with the linear combination of multiple binary weight bases; (2) employing multiple binary activations to alleviate information loss. The implementation of the resulting binary CNN, denoted as ABC-Net, is shown to achieve much closer performance to its full-precision counterpart, and even reach the comparable prediction accuracy on ImageNet and forest trail datasets, given adequate binary weight bases and activations.

We present an algorithm based on posterior sampling (aka Thompson sampling) that achieves near-optimal worst-case regret bounds when the underlying Markov Decision Process (MDP) is communicating with a finite, though unknown, diameter. Our main result is a high probability regret upper bound of $\tilde{O}(D\sqrt{SAT})$ for any communicating MDP with $S$ states, $A$ actions and diameter $D$, when $T\ge S^5A$. Here, regret compares the total reward achieved by the algorithm to the total expected reward of an optimal infinite-horizon undiscounted average reward policy, in time horizon $T$. This result improves over the best previously known upper bound of $\tilde{O}(DS\sqrt{AT})$ achieved by any algorithm in this setting, and matches the dependence on $S$ in the established lower bound of $\Omega(\sqrt{DSAT})$ for this problem.

With the goal of making high-resolution forecasts of regional rainfall, precipitation nowcasting has become an important and fundamental technology underlying various public services ranging from rainfall alerts to flight safety. Recently, the convolutional LSTM (ConvLSTM) model has been shown to outperform traditional optical flow based methods for precipitation nowcasting, suggesting that deep learning models have a huge potential for solving the problem. However, the convolutional recurrence structure in ConvLSTM-based models is location-invariant while natural motion and transformation (e.g., rotation) are location-variant in general. Furthermore, since deep-learning-based precipitation nowcasting is a newly emerging area, clear evaluation protocols have not yet been established. To address these problems, we propose both a new model and a benchmark for precipitation nowcasting. Specifically, we go beyond ConvLSTM and propose the Trajectory GRU (TrajGRU) model that can actively learn the location-variant structure for recurrent connections. Besides, we provide a benchmark that includes a real-world large-scale dataset from the Hong Kong Observatory, a new training loss, and a comprehensive evaluation protocol to facilitate future research and gauge the state of the art.

The dueling bandit is a learning framework where the feedback information in the learning process is restricted to noisy comparison between a pair of actions. In this paper, we address a dueling bandit problem based on a cost function over a continuous space. We propose a stochastic mirror descent algorithm and show that the algorithm achieves an $O(¥sqrt{T¥log T})$-regret bound under strong convexity and smoothness assumptions for the cost function. Then, we clarify the equivalence between regret minimization in dueling bandit and convex optimization for the cost function. Moreover, considering a lower bound in convex optimization, it is turned out that our algorithm achieves the optimal convergence rate in convex optimization and the optimal regret in dueling bandit except for a logarithmic factor.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincaré ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincaré embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

This paper introduces and addresses a wide class of stochastic bandit problems where the function mapping the arm to the corresponding reward exhibits some known structural properties. Most existing structures (e.g. linear, lipschitz, unimodal, combinatorial, dueling,...) are covered by our framework. We derive an asymptotic instance-specific regret lower bound for these problems, and develop OSSB, an algorithm whose regret matches this fundamental limit. OSSB is not based on the classical principle of ``optimism in the face of uncertainty'' or on Thompson sampling, and rather aims at matching the minimal exploration rates of sub-optimal arms as characterized in the derivation of the regret lower bound. We illustrate the efficiency of OSSB using numerical experiments in the case of the linear bandit problem and show that OSSB outperforms existing algorithms, including Thompson sampling

Convolution as inner product has been the founding basis of convolutional neural networks (CNNs) and the key to end-to-end visual representation learning. Benefiting from deeper architectures, recent CNNs have demonstrated increasingly strong representation abilities. Despite such improvement, the increased depth and larger parameter space have also led to challenges in properly training a network. In light of such challenges, we propose hyperspherical convolution (SphereConv), a novel learning framework that gives angular representations on hyperspheres. We introduce SphereNet, deep hyperspherical convolution networks that are distinct from conventional inner product based convolutional networks. In particular, SphereNet adopts SphereConv as its basic convolution operator and is supervised by generalized angular softmax loss - a natural loss formulation under SphereConv. We show that SphereNet can effectively encode discriminative representation and alleviate training difficulty, leading to easier optimization, faster convergence and better classification performance over convolutional counterparts. We also provide some theoretical justifications for the advantages on hyperspherical optimization. Experiments and ablation studies have verified our conclusion.

We consider the problem of bandit optimization, inspired by stochastic optimization and online learning problems with bandit feedback. In this problem, the objective is to minimize a global loss function of all the actions, not necessarily a cumulative loss. This framework allows us to study a very general class of problems, with applications in statistics, machine learning, and other fields. To solve this problem, we analyze the Upper-Confidence Frank-Wolfe algorithm, inspired by techniques for bandits and convex optimization. We give theoretical guarantees for the performance of this algorithm over various classes of functions, and discuss the optimality of these results.

There are two major types of uncertainty one can model. Aleatoric uncertainty captures noise inherent in the observations. On the other hand, epistemic uncertainty accounts for uncertainty in the model -- uncertainty which can be explained away given enough data. Traditionally it has been difficult to model epistemic uncertainty in computer vision, but with new Bayesian deep learning tools this is now possible. We study the benefits of modeling epistemic vs. aleatoric uncertainty in Bayesian deep learning models for vision tasks. For this we present a Bayesian deep learning framework combining input-dependent aleatoric uncertainty together with epistemic uncertainty. We study models under the framework with per-pixel semantic segmentation and depth regression tasks. Further, our explicit uncertainty formulation leads to new loss functions for these tasks, which can be interpreted as learned attenuation. This makes the loss more robust to noisy data, also giving new state-of-the-art results on segmentation and depth regression benchmarks.

Remarkable recent success of deep neural networks has not been easy to analyze theoretically. It has been particularly hard to disentangle relative significance of architecture and optimization in achieving accurate classification on large datasets. On the flip side, shallow methods (e.g. kernel methods) have encountered obstacles in scaling to large data. Practical methods, such as variants of gradient descent used so successfully in deep learning, seem to perform below par when applied to kernel methods. This difficulty has sometimes been attributed to the limitations of shallow architecture. In this paper we first identify a basic limitation in gradient descent-based optimization methods when used in conjunctions with smooth kernels. An analysis demonstrates that only a vanishingly small fraction of the function space is reachable after a polynomial number of gradient descent iterations. That drastically limits approximating power of gradient descent for a fixed computational budget and leading to serious over-regularization. The issue is purely algorithmic, persisting even in the limit of infinite data. To address this shortcoming in practice, we introduce EigenPro iteration, based on a simple and direct preconditioning scheme using a small number of approximate eigenvectors. It can also be viewed as learning a new kernel optimized for gradient descent. It turns out that injecting this small amount of approximate second-order information leads to major improvements in convergence. For large data, this translates into significant performance boost over the state-of-the-art for kernel methods. In particular, we are able to match or improve the results recently reported in the literature at a small fraction of their computational budget. Finally, we feel that these results show a need for a broader computational perspective on modern large-scale learning to complement more traditional statistical and convergence analyses.

In unsupervised domain mapping, the learner is given two unmatched datasets $A$ and $B$. The goal is to learn a mapping $G_{AB}$ that translates a sample in $A$ to the analog sample in $B$. Recent approaches have shown that when learning simultaneously both $G_{AB}$ and the inverse mapping $G_{BA}$, convincing mappings are obtained. In this work, we present a method of learning $G_{AB}$ without learning $G_{BA}$. This is done by learning a mapping that maintains the distance between a pair of samples. Moreover, good mappings are obtained, even by maintaining the distance between different parts of the same sample before and after mapping. We present experimental results that the new method not only allows for one sided mapping learning, but also leads to preferable numerical results over the existing circularity-based constraint. Our entire code will be made publicly available.

Recent advances in bandit tools and techniques for sequential learning are steadily enabling new applications and are promising the resolution of a range of challenging related problems. We study the game tree search problem, where the goal is to quickly identify the optimal move in a given game tree by sequentially sampling its stochastic payoffs. We develop new algorithms for trees of arbitrary depth, that operate by summarizing all deeper levels of the tree into confidence intervals at depth one, and applying a best arm identification procedure at the root. We prove new sample complexity guarantees with a refined dependence on the problem instance. We show experimentally that our algorithms outperform existing elimination-based algorithms and match previous special-purpose methods for depth-two trees.

In this paper we introduce a natural image prior that directly represents a Gaussian-smoothed version of the natural image distribution. We include our prior in a formulation of image restoration as a Bayes estimator that also allows us to solve noise-blind image restoration problems. The gradient of a bound of our estimator involves the gradient of the logarithm of our prior. This gradient corresponds to the mean-shift vector on the natural image distribution, and we learn the mean-shift vector field using denoising autoencoders. We demonstrate competitive results for noise-blind deblurring, super-resolution, and demosaicing.

We propose an alternative framework to existing setups for controlling false alarms when multiple A/B tests are run over time. This setup arises in many practical applications, e.g. when pharmaceutical companies test new treatment options against control pills for different diseases, or when internet companies test their default webpages versus various alternatives over time. Our framework proposes to replace a sequence of A/B tests by a sequence of best-arm MAB instances, which can be continuously monitored by the data scientist. When interleaving the MAB tests with an an online false discovery rate (FDR) algorithm, we can obtain the best of both worlds: low sample complexity and any time online FDR control. Our main contributions are: (i) to propose reasonable definitions of a null hypothesis for MAB instances; (ii) to demonstrate how one can derive an always-valid sequential p-value that allows continuous monitoring of each MAB test; and (iii) to show that using rejection thresholds of online-FDR algorithms as the confidence levels for the MAB algorithms results in both sample-optimality, high power and low FDR at any point in time. We run extensive simulations to verify our claims, and also report results on real data collected from the New Yorker Cartoon Caption contest.

We introduce a technique for augmenting neural text-to-speech (TTS) with low-dimensional trainable speaker embeddings to generate different voices from a single model. As a starting point, we show improvements over the two state-of-the-art approaches for single-speaker neural TTS: Deep Voice 1 and Tacotron. We introduce Deep Voice 2, which is based on a similar pipeline with Deep Voice 1, but constructed with higher performance building blocks and demonstrates a significant audio quality improvement over Deep Voice 1. We improve Tacotron by introducing a post-processing neural vocoder, and demonstrate a significant audio quality improvement. We then demonstrate our technique for multi-speaker speech synthesis for both Deep Voice 2 and Tacotron on two multi-speaker TTS datasets. We show that a single neural TTS system can learn hundreds of unique voices from less than half an hour of data per speaker, while achieving high audio quality synthesis and preserving the speaker identities almost perfectly.

We introduce a new framework for deriving efficient algorithms that obtain model selection oracle inequalities in the adversarial online learning setting, also sometimes described as parameter-free online learning. While work in this area has focused on specific, highly-structured, function classes, such as nested balls in a Hilbert space, we eschew this approach and propose a generic meta-algorithm framework which achieves oracle inequalities under minimal structural assumptions. This allows us to derive new computationally efficient algorithms with oracle bounds for a wide range of settings where such results were previously unavailable. We give the first computationally efficient algorithms which work in arbitrary Banach spaces under mild smoothness assumptions --- previous results only applied to the Hilbert case. We further derive new oracle inequalities for various matrix classes, non-nested convex sets, and $\R^{d}$ with generic regularizers. Finally, we generalize further by providing oracle inequalities for arbitrary non-linear classes in the contextual learning model; in particular, we give new algorithms for learning with multiple kernels. These results are all derived through a unified meta-algorithm scheme based on a novel "multi-scale" algorithm for prediction with expert advice based on random playout, which may be of independent interest.

Graph matching is a fundamental problem in computer vision and machine learning area. This problem can usually be formulated as a Quadratic Programming (QP) problem with doubly stochastic and discrete (integer) constraints. Since it is NP-hard, approximate algorithms are required. In this paper, we present a new algorithm, called Multiplicative Update Graph Matching (MPGM), that develops a multiplicative update technique to solve the QP matching problem. MPGM has three main benefits: (1) theoretically, MPGM solves the general QP problem with doubly stochastic constraint naturally and directly whose convergence and KKT optimality are guaranteed. (2) Empirically, MPGM generally returns a sparse solution and thus can also incorporate the discrete constraint approximately in its optimization. (3) It is efficient and simple to implement. Experiments on both synthetic and real-world matching tasks show the benefits of MPGM algorithm.

Adversarial machines, where a learner competes against an adversary, have re-gained much recent interest in machine learning. They are naturally in the form of saddle-point optimization, often with separable structure but sometimes also with unmanageably large dimension. In this work we show that adversarial prediction under multivariate losses can be solved much faster than they used to be. We first reduce the problem size exponentially by using appropriate sufficient statistics, and then we adapt the new stochastic variance-reduced algorithm of Balamurugan & Bach (2016) to allow any Bregman divergence. We prove that the same linear rate of convergence is retained and we show that for adversarial prediction using KL-divergence we can further achieve a speedup of #example times compared with the Euclidean alternative. We verify the theoretical findings through extensive experiments on two example applications: adversarial prediction and LPboosting.

A capsule is a group of neurons whose activity vector represents the instantiation parameters of a specific type of entity such as an object or object part. We use the length of the activity vector to represent the probability that the entity exists and its orientation to represent the instantiation paramters. Active capsules at one level make predictions, via transformation matrices, for the instantiation parameters of higher-level capsules. When multiple predictions agree, a higher level capsule becomes active. We show that a discrimininatively trained, multi-layer capsule system achieves state-of-the-art performance on MNIST and is considerably better than a convolutional net at recognizing highly overlapping digits. To achieve these results we use an iterative routing-by-agreement mechanism: A lower-level capsule prefers to send its output to higher level capsules whose activity vectors have a big scalar product with the prediction coming from the lower-level capsule.

Kernel methods have recently attracted resurgent interest, matching the performance of deep neural networks in tasks such as speech recognition. The random Fourier features map is a technique commonly used to scale up kernel machines, but employing the randomized feature map means that $O(\epsilon^{-2})$ samples are required to achieve an approximation error of at most $\epsilon$. In this paper, we investigate some alternative schemes for constructing feature maps that are deterministic, rather than random, by approximating the kernel in the frequency domain using Gaussian quadrature. We show that deterministic feature maps can be constructed, for any $\gamma > 0$, to achieve error $\epsilon$ with $O(e^{\gamma} + \epsilon^{-1/\gamma})$ samples as $\epsilon$ goes to 0. We validate our methods on datasets in different domains, such as MNIST and TIMIT, showing that deterministic features are faster to generate and achieve comparable accuracy to the state-of-the-art kernel methods based on random Fourier features.

It is commonly assumed that language refers to high-level visual concepts while leaving low-level visual processing unaffected. This view dominates the current literature in computational models for language-vision tasks, where visual and linguistic input are mostly processed independently before being fused into a single representation. In this paper, we deviate from this classic pipeline and propose to modulate the \emph{entire visual processing} by linguistic input. Specifically, we condition the batch normalization parameters of a pretrained residual network on a language embedding. This approach, which we call MODulated Residual Networks (\MRN), significantly improves strong baselines on two visual question answering tasks. Our ablation study shows that modulating from the early stages of the visual processing is beneficial.

We present an efficient and practical algorithm for the online prediction of discrete-time linear dynamical systems. Despite the non-convex optimization problem, using improper learning and convex relaxation our algorithm comes with provable guarantees: it has near-optimal regret bounds compared to the best LDS in hindsight, while overparameterizing by only a small logarithmic factor. Our analysis brings together ideas from improper learning by convex relaxations, online regret minimization, and the spectral theory of Hankel matrices.

Adversarial machines, where a learner competes against an adversary, have regained much recent interest in machine learning. They are naturally in the form of saddle-point optimization, often with separable structure but sometimes also with unmanageably large dimension. In this work we show that adversarial prediction under multivariate losses can be solved much faster than they used to be. We first reduce the problem size exponentially by using appropriate sufficient statistics, and then we adapt the new stochastic variance-reduced algorithm of Balamurugan & Bach (2016) to allow any Bregman divergence. We prove that the same linear rate of convergence is retained and we show that for adversarial prediction using KL-divergence we can further achieve a speedup of #example times compared with the Euclidean alternative. We verify the theoretical findings through extensive experiments on two example applications: adversarial prediction and LPboosting.

We study the resilience to Byzantine failures of distributed implementations of Stochastic Gradient Descent (SGD). So far, distributed machine learning frameworks have largely ignored the possibility of failures, especially arbitrary (i.e., Byzantine) ones. Causes of failures include software bugs, network asynchrony, biases in local datasets, as well as attackers trying to compromise the entire system. Assuming a set of $n$ workers, up to $f$ being Byzantine, we ask how resilient can SGD be, without limiting the dimension, nor the size of the parameter space. We first show that no gradient aggregation rule based on a linear combination of the vectors proposed by the workers (i.e, current approaches) tolerates a single Byzantine failure. We then formulate a resilience property of the aggregation rule capturing the basic requirements to guarantee convergence despite $f$ Byzantine workers. We propose \emph{Krum}, an aggregation rule that satisfies our resilience property, which we argue is the first provably Byzantine-resilient algorithm for distributed SGD. We also report on experimental evaluations of Krum.

Graph clustering is a fundamental task in many data-mining and machine-learning pipelines. In particular, identifying a good hierarchical structure is at the same time a fundamental and challenging problem for several applications. The amount of data to analyze is increasing at an astonishing rate each day. Hence there is a need for new solutions to efficiently compute effective hierarchical clusterings on such huge data. The main focus of this paper is on minimum spanning tree (MST) based clusterings. In particular, we propose affinity, a novel hierarchical clustering based on Boruvka's MST algorithm. We prove certain theoretical guarantees for affinity (as well as some other classic algorithms) and show that in practice it is superior to several other state-of-the-art clustering algorithms. Furthermore, we present two MapReduce implementations for affinity. The first one works for the case where the input graph is dense and takes constant rounds. It is based on a Massively Parallel MST algorithm for dense graphs that improves upon the state-of-the-art algorithm of Lattanzi et al. (SPAA 2011). Our second algorithm has no assumption on the density of the input graph and finds the affinity clustering in $O(\log n)$ rounds using Distributed Hash Tables (DHTs). We show experimentally that our algorithms are scalable for huge data sets, e.g., for graphs with trillions of edges.

Hypergraph partitioning is an important problem in machine learning, computer vision and network analytics. A widely used method for hypergraph partitioning relies on minimizing a normalized sum of the costs of partitioning hyperedges across clusters. Algorithmic solutions based on this approach assume that different partitions of a hyperedge incur the same cost. However, this assumption fails to leverage the fact that different subsets of vertices within the same hyperedge may have different structural importance. We hence propose a new hypergraph clustering technique, termed inhomogeneous hypergraph partitioning, which assigns different costs to different hyperedge cuts. We prove that inhomogeneous partitioning produces a quadratic approximation to the optimal solution if the inhomogeneous costs satisfy submodularity constraints. Moreover, we demonstrate that inhomogenous partitioning offers significant performance improvements in applications such as structure learning of rankings, subspace segmentation and motif clustering.

Understanding why a model makes a certain prediction can be as crucial as the prediction's accuracy in many applications. However, the highest accuracy for large modern datasets is often achieved by complex models that even experts struggle to interpret, such as ensemble or deep learning models, creating a tension between accuracy and interpretability. In response, various methods have recently been proposed to help users interpret the predictions of complex models, but it is often unclear how these methods are related and when one method is preferable over another. To address this problem, we present a unified framework for interpreting predictions, SHAP (SHapley Additive exPlanations). SHAP assigns each feature an importance value for a particular prediction. Its novel components include: (1) the identification of a new class of additive feature importance measures, and (2) theoretical results showing there is a unique solution in this class with a set of desirable properties. The new class unifies six existing methods, notable because several recent methods in the class lack the proposed desirable properties. Based on insights from this unification, we present new methods that show improved computational performance and/or better consistency with human intuition than previous approaches.

Singular values of a data in a matrix form provide insights on the structure of the data, the effective dimensionality, and the choice of hyper-parameters on higher-level data analysis tools. However, in many practical applications such as collaborative filtering and network analysis, we only get a partial observation. Under such scenarios, we consider the fundamental problem of recovering various spectral properties of the underlying matrix from a sampling of its entries. We propose a framework of first estimating the Schatten $k$-norms of a matrix for several values of $k$, and using these as surrogates for estimating spectral properties of interest, such as the spectrum itself or the rank. This paper focuses on the technical challenges in accurately estimating the Schatten norms from a sampling of a matrix. We introduce a novel unbiased estimator based on counting small structures in a graph and provide guarantees that match its empirical performances. Our theoretical analysis shows that Schatten norms can be recovered accurately from strictly smaller number of samples compared to what is needed to recover the underlying low-rank matrix. Numerical experiments suggest that we significantly improve upon a competing approach of using matrix completion methods.

This paper investigates the theoretical foundations of metric learning, focused on three key questions that are not fully addressed in prior work: 1) we consider learning general low-dimensional (low-rank) metrics as well as sparse metrics;2) we develop upper and lower (minimax) bounds on the generalization error; 3)we quantify the sample complexity of metric learning in terms of the dimension of the feature space and the dimension/rank of the underlying metric; 4) we also bound the accuracy of the learned metric relative to the underlying true generative metric. All the results involve novel mathematical approaches to the metric learning problem, and also shed new light on the special case of ordinal embedding (aka non-metric multidimensional scaling).

We present the first efficient and provably consistent estimator for the robust regression problem. The area of robust learning and optimization has generated a significant amount of interest in the learning and statistics communities in recent years owing to its applicability in scenarios with corrupted data, as well as in handling model mis-specifications. In particular, special interest has been devoted to the fundamental problem of robust linear regression where estimators that can tolerate corruption in up to a constant fraction of the response variables are widely studied. Surprisingly however, to this date, we are not aware of a polynomial time estimator that offers a consistent estimate in the presence of dense, unbounded corruptions. In this work we present such an estimator, called CRR. This solves an open problem put forward in the work of (Bhatia et al, 2015). Our consistency analysis requires a novel two-stage proof technique involving a careful analysis of the stability of ordered lists which may be of independent interest. We show that CRR not only offers consistent estimates, but is empirically far superior to several other recently proposed algorithms for the robust regression problem, including extended Lasso and the TORRENT algorithm. In comparison, CRR offers comparable or better model recovery but with runtimes that are faster by an order of magnitude.

Kernel methods have recently attracted resurgent interest, showing performance competitive with deep neural networks in tasks such as speech recognition. The random Fourier features map is a technique commonly used to scale up kernel machines, but employing the randomized feature map means that $O(\epsilon^{-2})$ samples are required to achieve an approximation error of at most $\epsilon$. We investigate some alternative schemes for constructing feature maps that are deterministic, rather than random, by approximating the kernel in the frequency domain using Gaussian quadrature. We show that deterministic feature maps can be constructed, for any $\gamma > 0$, to achieve error $\epsilon$ with $O(e^{\gamma} + \epsilon^{-1/\gamma})$ samples as $\epsilon$ goes to 0. Our method works particularly well with sparse ANOVA kernels, which are inspired by the convolutional layer of CNNs. We validate our methods on datasets in different domains, such as MNIST and TIMIT, showing that deterministic features are faster to generate and achieve accuracy comparable to the state-of-the-art kernel methods based on random Fourier features.

Consider the following estimation problem: there are $n$ entities, each with an unknown parameter $p_i \in [0,1]$, and we observe $n$ independent random variables, $X_1,\ldots,X_n$, with $X_i \sim $ Binomial$(t, p_i)$. How accurately can one recover the ``histogram'' (i.e. cumulative density function) of the $p_i$'s? While the empirical estimates would recover the histogram to earth mover distance $\Theta(\frac{1}{\sqrt{t}})$ (equivalently, $\ell_1$ distance between the CDFs), we show that, provided $n$ is sufficiently large, we can achieve error $O(\frac{1}{t})$ which is information theoretically optimal. We also extend our results to the multi-dimensional parameter case, capturing settings where each member of the population has multiple associated parameters. Beyond the theoretical results, we demonstrate that the recovery algorithm performs well in practice on a variety of datasets, providing illuminating insights into several domains, including politics, sports analytics, and variation in the gender ratio of offspring.

MicroRNAs (miRNAs) are small non-coding ribonucleic acids (RNAs) which play key roles in post-transcriptional gene regulation. Direct identification of mature miRNAs is infeasible due to their short lengths, and researchers instead aim at identifying precursor miRNAs (pre-miRNAs). Many of the known pre-miRNAs have distinctive stem-loop secondary structure, and structure-based filtering is usually the first step to predict the possibility of a given sequence being a pre-miRNA. To identify new pre-miRNAs that often have non-canonical structure, however, we need to consider additional features other than structure. To obtain such additional characteristics, existing computational methods rely on manual feature extraction, which inevitably limits the efficiency, robustness, and generalization of computational identification. To address the limitations of existing approaches, we propose a pre-miRNA identification method that incorporates (1) a deep recurrent neural network (RNN) for automated feature learning and classification, (2) multimodal architecture for seamless integration of prior knowledge (secondary structure), (3) an attention mechanism for improving long-term dependence modeling, and (4) an RNN-based class activation mapping for highlighting the learned representations that can contrast pre-miRNAs and non-pre-miRNAs. In our experiments with recent benchmarks, the proposed approach outperformed the compared state-of-the-art alternatives in terms of various performance metrics.

While 360° cameras offer tremendous new possibilities in vision, graphics, and augmented reality, the spherical images they produce make core feature extraction non-trivial. Convolutional neural networks (CNNs) trained on images from perspective cameras yield “flat" filters, yet 360° images cannot be projected to a single plane without significant distortion. A naive solution that repeatedly projects the viewing sphere to all tangent planes is accurate, but much too computationally intensive for real problems. We propose to learn a spherical convolutional network that translates a planar CNN to process 360° imagery directly in its equirectangular projection. Our approach learns to reproduce the flat filter outputs on 360° data, sensitive to the varying distortion effects across the viewing sphere. The key benefits are 1) efficient feature extraction for 360° images and video, and 2) the ability to leverage powerful pre-trained networks researchers have carefully honed (together with massive labeled image training sets) for perspective images. We validate our approach compared to several alternative methods in terms of both raw CNN output accuracy as well as applying a state-of-the-art “flat" object detector to 360° data. Our method yields the most accurate results while saving orders of magnitude in computation versus the existing exact reprojection solution.

In this paper we introduce a natural image prior that directly represents a Gaussian-smoothed version of the natural image distribution. We include our prior in a formulation of image restoration as a Bayes estimator that also allows us to solve noise-blind image restoration problems. We show that the gradient of our prior corresponds to the mean-shift vector on the natural image distribution. In addition, we learn the mean-shift vector field using denoising autoencoders, and use it in a gradient descent approach to perform Bayes risk minimization. We demonstrate competitive results for noise-blind deblurring, super-resolution, and demosaicing.

3D object reconstruction from a single image is a highly under-determined problem, requiring strong prior knowledge of plausible 3D shapes. This introduces challenge for learning-based approaches, as 3D object annotations in real images are scarce. Previous work chose to train on synthetic data with ground truth 3D information, but suffered from the domain adaptation issue when tested on real data. In this work, we propose an end-to-end trainable framework, sequentially estimating 2.5D sketches and 3D object shapes. Our disentangled, two-step formulation has three advantages. First, compared to full 3D shape, 2.5D sketches are much easier to be recovered from a 2D image, and to transfer from synthetic to real data. Second, for 3D reconstruction from the 2.5D sketches, we can easily transfer the learned model on synthetic data to real images, as rendered 2.5D sketches are invariant to object appearance variations in real images, including lighting, texture, etc. This further relieves the domain adaptation problem. Third, we derive differentiable projective functions from 3D shape to 2.5D sketches, making the framework end-to-end trainable on real images, requiring no real-image annotations. Our framework achieves state-of-the-art performance on 3D shape reconstruction.

Intrinsic decomposition from a single image is a highly challenging task, due to its inherent ambiguity and the scarcity of training data. In contrast to traditional fully supervised learning approaches, in this paper we propose learning intrinsic image decomposition by explaining the input image. Our model, the Rendered Intrinsics Network (RIN), joins together an image decomposition pipeline, which predicts reflectance, shape, and lighting conditions given a single image, with a recombination function, a learned shading model used to recompose the original input based off of intrinsic image predictions. Our network can then use unsupervised reconstruction error as an additional signal to improve its intermediate representations. This allows large-scale unlabeled data to be useful during training, and also enables transferring learned knowledge to images of unseen object categories, lighting conditions, and shapes. Extensive experiments demonstrate that our method performs well on both intrinsic image decomposition and knowledge transfer.

A capsule is a group of neurons whose activity vector represents the instantiation parameters of a specific type of entity such as an object or object part. We use the length of the activity vector to represent the probability that the entity exists and its orientation to represent the instantiation parameters. Active capsules at one level make predictions, via transformation matrices, for the instantiation parameters of higher-level capsules. When multiple predictions agree, a higher level capsule becomes active. We show that a discrimininatively trained, multi-layer capsule system achieves state-of-the-art performance on MNIST and is considerably better than a convolutional net at recognizing highly overlapping digits. To achieve these results we use an iterative routing-by-agreement mechanism: A lower-level capsule prefers to send its output to higher level capsules whose activity vectors have a big scalar product with the prediction coming from the lower-level capsule.

We propose a new method that uses deep learning techniques to accelerate the popular alternating direction method of multipliers (ADMM) solution for inverse problems. The ADMM updates consist of a proximity operator, a least squares regression that includes a big matrix inversion, and an explicit solution for updating the dual variables. Typically, inner loops are required to solve the first two sub-minimization problems due to the intractability of the prior and the matrix inversion. To avoid such drawbacks or limitations, we propose an inner-loop free update rule with two pre-trained deep convolutional architectures. More specifically, we learn a conditional denoising auto-encoder which imposes an implicit data-dependent prior/regularization on ground-truth in the first sub-minimization problem. This design follows an empirical Bayesian strategy, leading to so-called amortized inference. For matrix inversion in the second sub-problem, we learn a convolutional neural network to approximate the matrix inversion, i.e., the inverse mapping is learned by feeding the input through the learned forward network. Note that training this neural network does not require ground-truth or measurements, i.e., data-independent. Extensive experiments on both synthetic data and real datasets demonstrate the efficiency and accuracy of the proposed method compared with the conventional ADMM solution using inner loops for solving inverse problems.

Word embeddings are a powerful approach for analyzing language, and exponential family embeddings (EFE) extend them to other types of data. Here we develop structured exponential family embeddings (S-EFE), a method for discovering embeddings that vary across related groups of data. We study how the word usage of U.S. Congressional speeches varies across states and party affiliation, how words are used differently across sections of the ArXiv, and how the co-purchase patterns of groceries can vary across seasons. Key to the success of our method is that the groups share statistical information. We develop two sharing strategies: hierarchical modeling and amortization. We demonstrate the benefits of this approach in empirical studies of speeches, abstracts, and shopping baskets. We show how SEFE enables group-specific interpretation of word usage, and outperforms EFE in predicting held-out data.

Class-agnostic object tracking is particularly difficult in cluttered environments as target specific discriminative models cannot be learned a priori. Inspired by how the human visual cortex employs spatial attention and separate ``where'' and ``what'' processing pathways to actively suppress irrelevant visual features, this work develops a hierarchical attentive recurrent model for single object tracking in videos. The first layer of attention discards the majority of background by selecting a region containing the object of interest, while the subsequent layers tune in on visual features particular to the tracked object. This framework is fully differentiable and can be trained in a purely data driven fashion by gradient methods. To improve training convergence, we augment the loss function with terms for auxiliary tasks relevant for tracking. Evaluation of the proposed model is performed on two datasets: pedestrian tracking on the KTH activity recognition dataset and the more difficult KITTI object tracking dataset.

As datasets grow richer, an important challenge is to leverage the full features in the data to maximize the number of useful discoveries while controlling for false positives. We address this problem in the context of multiple hypotheses testing, where for each hypothesis, we observe a p-value along with a set of features specific to that hypothesis. For example, in genetic association studies, each hypothesis tests the correlation between a variant and the trait. We have a rich set of features for each variant (e.g. its location, conservation, epigenetics etc.) which could inform how likely the variant is to have a true association. However popular testing approaches, such as Benjamini-Hochberg's procedure (BH) and independent hypothesis weighting (IHW), either ignore these features or assume that the features are categorical. We propose a new algorithm, NeuralFDR, which automatically learns a discovery threshold as a function of all the hypothesis features. We parametrize the discovery threshold as a neural network, which enables flexible handling of multi-dimensional discrete and continuous features as well as efficient end-to-end optimization. We prove that NeuralFDR has strong false discovery rate (FDR) guarantees, and show that it makes substantially more discoveries in synthetic and real datasets. Moreover, we demonstrate that the learned discovery threshold is directly interpretable.

We develop a method for comparing hierarchical image representations in terms of their ability to explain perceptual sensitivity in humans. Specifically, we utilize Fisher information to establish a model-derived prediction of sensitivity to local perturbations of an image. For a given image, we compute the eigenvectors of the Fisher information matrix with largest and smallest eigenvalues, corresponding to the model-predicted most- and least-noticeable image distortions, respectively. For human subjects, we then measure the amount of each distortion that can be reliably detected when added to the image, and compare these thresholds to the predictions of the corresponding model. We use this method to test the ability of a variety of representations to mimic human perceptual sensitivity. We find that the early layers of VGG16, a deep neural network optimized for object recognition, provide a better match to human perception than later layers, and a better match than a 4-stage convolutional neural network (CNN) trained on a database of human ratings of distorted image quality. On the other hand, we find that simple models of early visual processing, incorporating one or more stages of local gain control, trained on the same database of distortion ratings, provide substantially better predictions of human sensitivity than both the CNN and all layers of VGG16.

In this paper, we propose a spatial propagation networks for learning affinity matrix. We show that by constructing a row/column linear propagation model, the spatially variant transformation matrix constitutes an affinity matrix that models dense, global pairwise similarities of an image. Specifically, we develop a three-way connection for the linear propagation model, which (a) formulates a sparse transformation matrix where all elements can be the output from a deep CNN, but (b) results in a dense affinity matrix that is effective to model any task-specific pairwise similarity. Instead of designing the similarity kernels according to image features of two points, we can directly output all similarities in a pure data-driven manner. The spatial propagation network is a generic framework that can be applied to numerous tasks, which traditionally benefit from designed affinity, e.g., image matting, colorization, and guided filtering, to name a few. Furthermore, the model can also learn semantic-aware affinity for high-level vision tasks due to the learning capability of the deep model. We validate the proposed framework by refinement of object segmentation. Experiments on the HELEN face parsing and PASCAL VOC-2012 semantic segmentation tasks show that the spatial propagation network provides general, effective and efficient solutions for generating high-quality segmentation results.

Convolution as inner product has been the founding basis of convolutional neural networks (CNNs) and the key to end-to-end visual representation learning. Benefiting from deeper architectures, recent CNNs have demonstrated increasingly strong representation abilities. Despite such improvement, the increased depth and larger parameter space have also led to challenges in properly training a network. In light of such challenges, we propose hyperspherical convolution (SphereConv), a novel learning framework that gives angular representations on hyperspheres. We introduce SphereNet, deep hyperspherical convolution networks that are distinct from conventional inner product based convolutional networks. In particular, SphereNet adopts SphereConv as its basic convolution operator and is supervised by generalized angular softmax loss - a natural loss formulation under SphereConv. We show that SphereNet can effectively encode discriminative representation and alleviate training difficulty, leading to easier optimization, faster convergence and comparable (even better) classification accuracy over convolutional counterparts. We also provide some theoretical insights for the advantages of learning on hyperspheres. In addition, we introduce the learnable SphereConv, i.e., a natural improvement over prefixed SphereConv, and SphereNorm, i.e., hyperspherical learning as a normalization method. Experiments have verified our conclusions.

There is significant recent interest to parallelize deep learning algorithms in order to handle the enormous growth in data and model sizes. While most advances focus on model parallelization and engaging multiple computing agents via using a central parameter server, aspect of data parallelization along with decentralized computation has not been explored sufficiently. In this context, this paper presents a new consensus-based distributed SGD (CDSGD) (and its momentum variant, CDMSGD) algorithm for collaborative deep learning over fixed topology networks that enables data parallelization as well as decentralized computation. Such a framework can be extremely useful for learning agents with access to only local/private data in a communication constrained environment. We analyze the convergence properties of the proposed algorithm with strongly convex and nonconvex objective functions with fixed and diminishing step sizes using concepts of Lyapunov function construction. We demonstrate the efficacy of our algorithms in comparison with the baseline centralized SGD and the recently proposed federated averaging algorithm (that also enables data parallelism) based on benchmark datasets such as MNIST, CIFAR-10 and CIFAR-100.

Overfitting is one of the most critical challenges in deep neural networks, and there are various types of regularization methods to improve generalization performance. Injecting noises to hidden units during training, e.g., dropout, is known as a successful regularizer, but it is still not clear enough why such training techniques work well in practice and how we can maximize their benefit in the presence of two conflicting objectives---optimizing to true data distribution and preventing overfitting by regularization. This paper addresses the above issues by 1) interpreting that the conventional training methods with regularization by noise injection optimize the lower bound of the true objective and 2) proposing a technique to achieve a tighter lower bound using multiple noise samples per training example in a stochastic gradient descent iteration. We demonstrate the effectiveness of our idea in several computer vision applications.

In many machine learning applications, it is important to explain the predictions of a black-box classifier. For example, why does a deep neural network assign an image to a particular class? We cast interpretability of black-box classifiers as a combinatorial maximization problem and propose an efficient streaming algorithm to solve it subject to cardinality constraints. By extending ideas from Badanidiyuru et al. [2014], we provide a constant factor approximation guarantee for our algorithm in the case of random stream order and a weakly submodular objective function. This is the first such theoretical guarantee for this general class of functions, and we also show that no such algorithm exists for a worst case stream order. Our algorithm obtains similar explanations of Inception V3 predictions 10 times faster than the state-of-the-art LIME framework of Ribeiro et al. [2016].

Although gradient descent (GD) almost always escapes saddle points asymptotically [Lee et al., 2016], this paper shows that even with fairly natural random initialization schemes and non-pathological functions, GD can be significantly slowed down by saddle points, taking exponential time to escape. On the other hand, gradient descent with perturbations [Ge et al., 2015, Jin et al., 2017] is not slowed down by saddle points—it can find an approximate local minimizer in polynomial time. This result implies that GD is inherently slower than perturbed GD, and justifies the importance of adding perturbations for efficient non-convex optimization. While our focus is theoretical, we also present experiments that illustrate our theoretical findings.

Computing optimal transport distances such as the earth mover's distance is a fundamental problem in machine learning, statistics, and computer vision. Despite the recent introduction of several algorithms with good empirical performance, it is unknown whether general optimal transport distances can be approximated in near-linear time. This paper demonstrates that this ambitious goal is in fact achieved by Cuturi's Sinkhorn Distances. This result relies on a new analysis of Sinkhorn iterations, which also directly suggests a new greedy coordinate descent algorithm Greenkhorn with the same theoretical guarantees. Numerical simulations illustrate that Greenkhorn significantly outperforms the classical Sinkhorn algorithm in practice.

We propose a rank-k variant of the classical Frank-Wolfe algorithm to solve convex optimization over a trace-norm ball. Our algorithm replaces the top singular-vector computation (1-SVD) in Frank-Wolfe with a top-k singular-vector computation (k-SVD), which can be done by repeatedly applying 1-SVD k times. Alternatively, our algorithm can be viewed as a rank-k restricted version of projected gradient descent. We show that our algorithm has a linear convergence rate when the objective function is smooth and strongly convex, and the optimal solution has rank at most k. This improves the convergence rate and the total time complexity of the Frank-Wolfe method and its variants.

Error bound, an inherent property of an optimization problem, has recently revived in the development of algorithms with improved global convergence without strong convexity. The most studied error bound is the quadratic error bound, which generalizes strong convexity and is satisfied by a large family of machine learning problems. Quadratic error bound have been leveraged to achieve linear convergence in many first-order methods including the stochastic variance reduced gradient (SVRG) method, which is one of the most important stochastic optimization methods in machine learning. However, the studies along this direction face the critical issue that the algorithms must depend on an unknown growth parameter (a generalization of strong convexity modulus) in the error bound. This parameter is difficult to estimate exactly and the algorithms choosing this parameter heuristically do not have theoretical convergence guarantee. To address this issue, we propose novel SVRG methods that automatically search for this unknown parameter on the fly of optimization while still obtain almost the same convergence rate as when this parameter is known. We also analyze the convergence property of SVRG methods under H\"{o}lderian error bound, which generalizes the quadratic error bound.

We formulate and study a general family of (continuous-time) stochastic dynamics for accelerated first-order minimization of smooth convex functions. Building on an averaging formulation of accelerated mirror descent, we propose a stochastic variant in which the gradient is contaminated by noise, and study the resulting stochastic differential equation. We prove a bound on the rate of change of an energy function associated with the problem, then use it to derive estimates of convergence rates of the function values (almost surely and in expectation), both for persistent and asymptotically vanishing noise. We discuss the interaction between the parameters of the dynamics (learning rate and averaging rates) and the covariation of the noise process. In particular, we show how the asymptotic rate of covariation affects the choice of parameters and, ultimately, the convergence rate.

Intracortical brain-computer interfaces (iBCIs) have allowed people with tetraplegia to control a computer cursor by imagining the movement of their paralyzed arm or hand. State-of-the-art decoders deployed in human iBCIs are derived from a Kalman filter that assumes Markov dynamics on the angle of intended movement, and a unimodal dependence on intended angle for each channel of neural activity. Due to errors made in the decoding of noisy neural data, as a user attempts to move the cursor to a goal, the angle between cursor and goal positions may change rapidly. We propose a dynamic Bayesian network that includes the on-screen goal position as part of its latent state, and thus allows the person’s intended angle of movement to be aggregated over a much longer history of neural activity. This multiscale model explicitly captures the relationship between instantaneous angles of motion and long-term goals, and incorporates semi-Markov dynamics for motion trajectories. We also introduce a multimodal likelihood model for recordings of neural populations which can be rapidly calibrated for clinical applications. In offline experiments with recorded neural data, we demonstrate significantly improved prediction of motion directions compared to the Kalman filter. We derive an efficient online inference algorithm, enabling a clinical trial participant with tetraplegia to control a computer cursor with neural activity in real time. The observed kinematics of cursor movement are objectively straighter and smoother than prior iBCI decoding models without loss of responsiveness.

This paper presents a probabilistic-graphical model that can be used to infer characteristics of instantaneous brain activity by jointly analyzing spatial and temporal dependencies observed in electroencephalograms (EEG). Specifically, we describe a factor-graph-based model with customized factor-functions defined based on domain knowledge, to infer pathologic brain activity with the goal of identifying seizure-generating brain regions in epilepsy patients. We utilize an inference technique based on the graph-cut algorithm to exactly solve graph inference in polynomial time. We validate the model by using clinically collected intracranial EEG data from 29 epilepsy patients to show that the model correctly identifies seizure-generating brain regions. Our results indicate that our model outperforms two conventional approaches used for seizure-onset localization (5-7% better AUC: 0.72, 0.67, 0.65) and that the proposed inference technique provides 3-10% gain in AUC (0.72, 0.62, 0.69) compared to sampling-based alternatives.

Efficiently aggregating data from different sources is a challenging problem, particularly when samples from each source are distributed differently. These differences can be inherent to the inference task or present for other reasons: sensors in a sensor network may be placed far apart, affecting their individual measurements. Conversely, it is computationally advantageous to split Bayesian inference tasks across subsets of data, but data need not be identically distributed across subsets. One principled way to fuse probability distributions is via the lens of optimal transport: the Wasserstein barycenter is a single distribution that summarizes a collection of input measures while respecting their geometry. However, computing the barycenter scales poorly and requires discretization of all input distributions and the barycenter itself. Improving on this situation, we present a scalable, communication-efficient, parallel algorithm for computing the Wasserstein barycenter of arbitrary distributions. Our algorithm can operate directly on continuous input distributions and is optimized for streaming data. Our method is even robust to nonstationary input distributions and produces a barycenter estimate that tracks the input measures over time. The algorithm is semi-discrete, needing to discretize only the barycenter estimate. To the best of our knowledge, we also provide the first bounds on the quality of the approximate barycenter as the discretization becomes finer. Finally, we demonstrate the practical effectiveness of our method, both in tracking moving distributions on a sphere, as well as in a large-scale Bayesian inference task.

Bayesian optimization has shown success in global optimization of expensive-to-evaluate multimodal objective functions. However, unlike most optimization methods, Bayesian optimization typically does not use derivative information. In this paper we show how Bayesian optimization can exploit derivative information to find good solutions with fewer objective function evaluations. In particular, we develop a novel Bayesian optimization algorithm, the derivative-enabled knowledge-gradient (dKG), which is one-step Bayes-optimal, asymptotically consistent, and provides greater one-step value of information than in the derivative-free setting. dKG accommodates noisy and incomplete derivative information, comes in both sequential and batch forms, and can optionally reduce the computational cost of inference through automatically selected retention of a single directional derivative. We also compute the dKG acquisition function and its gradient using a novel fast discretization-free technique. We show dKG provides state-of-the-art performance compared to a wide range of optimization procedures with and without gradients, on benchmarks including logistic regression, deep learning, kernel learning, and k-nearest neighbors.

For applications as varied as Bayesian neural networks, determinantal point processes, elliptical graphical models, and kernel learning for Gaussian processes (GPs), one must compute a log determinant of an n by n positive definite matrix, and its derivatives---leading to prohibitive O(n^3) computations. We propose novel O(n) approaches to estimating these quantities from only fast matrix vector multiplications (MVMs). These stochastic approximations are based on Chebyshev, Lanczos, and surrogate models, and converge quickly even for kernel matrices that have challenging spectra. We leverage these approximations to develop a scalable Gaussian process approach to kernel learning. We find that Lanczos is generally superior to Chebyshev for kernel learning, and that a surrogate approach can be highly efficient and accurate with popular kernels.

We consider a modification of the covariance function in Gaussian processes to correctly account for known linear constraints. By modelling the target function as a transformation of an underlying function, the constraints are explicitly incorporated in the model such that they are guaranteed to be fulfilled by any sample drawn or prediction made. We also propose a constructive procedure for designing the transformation operator and illustrate the result on both simulated and real-data examples.

Reinforcement learning is a powerful paradigm for learning optimal policies from experimental data. However, to find optimal policies, most reinforcement learning algorithms explore all possible actions, which may be harmful for real-world systems. As a consequence, learning algorithms are rarely applied on safety-critical systems in the real world. In this paper, we present a learning algorithm that explicitly considers safety, defined in terms of stability guarantees. Specifically, we extend control-theoretic results on Lyapunov stability verification and show how to use statistical models of the dynamics to obtain high-performance control policies with provable stability certificates. Moreover, under additional regularity assumptions in terms of a Gaussian process prior, we prove that one can effectively and safely collect data in order to learn about the dynamics and thus both improve control performance and expand the safe region of the state space. In our experiments, we show how the resulting algorithm can safely optimize a neural network policy on a simulated inverted pendulum, without the pendulum ever falling down.

We introduce and analyze a new technique for model reduction for deep neural networks. While large networks are theoretically capable of learning arbitrarily complex models, overfitting and model redundancy negatively affects the prediction accuracy and model variance. Our Net-Trim algorithm prunes (sparsifies) a trained network layer-wise, removing connections at each layer by solving a convex optimization program. This program seeks a sparse set of weights at each layer that keeps the layer inputs and outputs consistent with the originally trained model. The algorithms and associated analysis are applicable to neural networks operating with the rectified linear unit (ReLU) as the nonlinear activation. We present both parallel and cascade versions of the algorithm. While the latter can achieve slightly simpler models with the same generalization performance, the former can be computed in a distributed manner. In both cases, Net-Trim significantly reduces the number of connections in the network, while also providing enough regularization to slightly reduce the generalization error. We also provide a mathematical analysis of the consistency between the initial network and the retrained model. To analyze the model sample complexity, we derive the general sufficient conditions for the recovery of a sparse transform matrix. For a single layer taking independent Gaussian random vectors as inputs, we show that if the network response can be described using a maximum number of $s$ non-zero weights per node, these weights can be learned from $O(s\log N)$ samples.

Estimation of mutual information from observed samples is a basic primitive in machine learning, useful in several learning tasks including correlation mining, information bottleneck, Chow-Liu tree, and conditional independence testing in (causal) graphical models. While mutual information is a quantity well-defined for general probability spaces, estimators have been developed only in the special case of discrete or continuous pairs of random variables. Most of these estimators operate using the 3H -principle, i.e., by calculating the three (differential) entropies of X, Y and the pair (X,Y). However, in general mixture spaces, such individual entropies are not well defined, even though mutual information is. In this paper, we develop a novel estimator for estimating mutual information in discrete-continuous mixtures. We prove the consistency of this estimator theoretically as well as demonstrate its excellent empirical performance. This problem is relevant in a wide-array of applications, where some variables are discrete, some continuous, and others are a mixture between continuous and discrete components.

The Multiplicative Weights Update (MWU) method is a ubiquitous meta-algorithm that works as follows: A distribution is maintained on a certain set, and at each step the probability assigned to action $\gamma$ is multiplied by $(1 -\epsilon C(\gamma))>0$ where $C(\gamma)$ is the ``cost" of action $\gamma$ and then rescaled to ensure that the new values form a distribution. We analyze MWU in congestion games where agents use \textit{arbitrary admissible constants} as learning rates $\epsilon$ and prove convergence to \textit{exact Nash equilibria}. Interestingly, this convergence result does not carry over to the nearly homologous MWU variant where at each step the probability assigned to action $\gamma$ is multiplied by $(1 -\epsilon)^{C(\gamma)}$ even for the simplest case of two-agent, two-strategy load balancing games, where such dynamics can provably lead to limit cycles or even chaotic behavior.

In imperfect-information games, the optimal strategy in a subgame may depend on the strategy in other, unreached subgames. Thus a subgame cannot be solved in isolation and must instead consider the strategy for the entire game as a whole, unlike perfect-information games. Nevertheless, it is possible to first approximate a solution for the whole game and then improve it by solving individual subgames. This is referred to as subgame solving. We introduce subgame-solving techniques that outperform prior methods both in theory and practice. We also show how to adapt them, and past subgame-solving techniques, to respond to opponent actions that are outside the original action abstraction; this significantly outperforms the prior state-of-the-art approach, action translation. Finally, we show that subgame solving can be repeated as the game progresses down the game tree, leading to far lower exploitability. These techniques were a key component of Libratus, the first AI to defeat top humans in heads-up no-limit Texas hold'em poker.

Our ability to collect, manipulate, analyze, and act on vast amounts of data is having a profound impact on all aspects of society. Much of this data is heterogeneous in nature and interlinked in a myriad of complex ways. From information integration to scientific discovery to computational social science, we need machine learning methods that are able to exploit both the inherent uncertainty and the innate structure in a domain. Statistical relational learning (SRL) is a subfield that builds on principles from probability theory and statistics to address uncertainty while incorporating tools from knowledge representation and logic to represent structure. In this talk, I will give a brief introduction to SRL, present templates for common structured prediction problems, and describe modeling approaches that mix logic, probabilistic inference and latent variables. I’ll overview our recent work on probabilistic soft logic (PSL), an SRL framework for large-scale collective, probabilistic reasoning in relational domains. I’ll close by highlighting emerging opportunities (and challenges!!) in realizing the effectiveness of data and structure for knowledge discovery.

We provide novel theoretical insights on structured prediction in the context of efficient convex surrogate loss minimization with consistency guarantees. For any task loss, we construct a convex surrogate that can be optimized via stochastic gradient descent and we prove tight bounds on the so-called "calibration function" relating the excess surrogate risk to the actual risk. In contrast to prior related work, we carefully monitor the effect of the exponential number of classes in the learning guarantees as well as on the optimization complexity. As an interesting consequence, we formalize the intuition that some task losses make learning harder than others, and that the classical 0-1 loss is ill-suited for structured prediction.

High network communication cost for synchronizing gradients and parameters is the well-known bottleneck of distributed training. In this work, we propose TernGrad that uses ternary gradients to accelerate distributed deep learning in data parallelism. Our approach requires only three numerical levels {-1,0,1} which can aggressively reduce the communication time. We mathematically prove the convergence of TernGrad under the assumption of a bound on gradients. Guided by the bound, we propose layer-wise ternarizing and gradient clipping to improve its convergence. Our experiments show that applying TernGrad on AlexNet doesn’t incur any accuracy loss and can even improve accuracy. The accuracy loss of GoogLeNet induced by TernGrad is less than 2% on average. Finally, a performance model is proposed to study the scalability of TernGrad. Experiments show significant speed gains for various deep neural networks.

Learning in models with discrete latent variables is challenging due to high variance gradient estimators. Generally, approaches have relied on control variates to reduce the variance of the REINFORCE estimator. Recent work \citep{jang2016categorical, maddison2016concrete} has taken a different approach, introducing a continuous relaxation of discrete variables to produce low-variance, but biased, gradient estimates. In this work, we combine the two approaches through a novel control variate that produces low-variance, \emph{unbiased} gradient estimates. Then, we introduce a novel continuous relaxation and show that the tightness of the relaxation can be adapted online, removing it as a hyperparameter. We show state-of-the-art variance reduction on several benchmark generative modeling tasks, generally leading to faster convergence to a better final log likelihood.

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomena. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmicaly with the number of weight updates. We therefore propose a "random walk on random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

We develop an approach to risk minimization and stochastic optimization that provides a convex surrogate for variance, allowing near-optimal and computationally efficient trading between approximation and estimation error. Our approach builds off of techniques for distributionally robust optimization and Owen's empirical likelihood, and we provide a number of finite-sample and asymptotic results characterizing the theoretical performance of the estimator. In particular, we show that our procedure comes with certificates of optimality, achieving (in some scenarios) faster rates of convergence than empirical risk minimization by virtue of automatically balancing bias and variance. We give corroborating empirical evidence showing that in practice, the estimator indeed trades between variance and absolute performance on a training sample, improving out-of-sample (test) performance over standard empirical risk minimization for a number of classification problems.

We introduce deep neural networks for end-to-end differentiable theorem proving that operate on dense vector representations of symbols. These neural networks are recursively constructed by following the backward chaining algorithm as used in Prolog. Specifically, we replace symbolic unification with a differentiable computation on vector representations of symbols using a radial basis function kernel, thereby combining symbolic reasoning with learning subsymbolic vector representations. The resulting neural network can be trained to infer facts from a given incomplete knowledge base using gradient descent. By doing so, it learns to (i) place representations of similar symbols in close proximity in a vector space, (ii) make use of such similarities to prove facts, (iii) induce logical rules, and (iv) it can use provided and induced logical rules for complex multi-hop reasoning. On four benchmark knowledge bases we demonstrate that this architecture outperforms ComplEx, a state-of-the-art neural link prediction model, while at the same time inducing interpretable function-free first-order logic rules.

Despite their growing prominence, optimization in generative adversarial networks (GANs) is still a poorly-understood topic. In this paper, we analyze the "gradient descent'' form of GAN optimization (i.e., the natural setting where we simultaneously take small gradient steps in both generator and discriminator parameters). We show that even though GAN optimization does \emph{not} correspond to a convex-concave game even for simple parameterizations, under proper conditions, equilibrium points of this optimization procedure are still \emph{locally asymptotically stable} for the traditional GAN formulation. On the other hand, we show that the recently-proposed Wasserstein GAN can have non-convergent limit cycles near equilibrium. Motivated by this stability analysis, we propose an additional regularization term for gradient descent GAN updates, which \emph{is} able to guarantee local stability for both the WGAN and for the traditional GAN, and which also shows practical promise in speeding up convergence and addressing mode collapse.

In this work we derive a variant of the classic Glivenko-Cantelli Theorem, which asserts uniform convergence of the empirical Cumulative Distribution Function (CDF) to the CDF of the underlying distribution. Our variant allows for tighter convergence bounds for extreme values of the CDF. We apply our bound in the context of revenue learning, which is a well-studied problem in economics and algorithmic game theory. We derive sample-complexity bounds on the uniform convergence rate of the empirical revenues to the true revenues, assuming a bound on the k'th moment of the valuations, for any (possibly fractional) k > 1. For uniform convergence in the limit, we give a complete characterization and a zero-one law: if the first moment of the valuations is finite, then uniform convergence almost surely occurs; conversely, if the first moment is infinite, then uniform convergence almost never occurs.

Nowozin \textit{et al} showed last year how to scale the GANs \textit{principle} to all $f$-divergences. The approach is elegant but falls short of a full description of the supervised game, and says nothing about the key player, the generator: for example, what does the generator actually fit if solving the GAN game means convergence in some space of parameters? How does that hint on the generator's design and compare to the flourishing, essentially experimental literature on the subject? In this paper, we unveil the broad class of densities for which such convergence happens and show tight connections with the three other key GAN parameters: loss, game and model. In particular, we show that current deep architectures are able to factor a potentially very large number of such densities, hence displaying the power of deep architectures and their adequation to the $f$-GAN game. This result holds provided a sufficient condition on \textit{activation functions} is satisfied --- and it turns out to be satisfied by most popular choices. The key to our results is a variational generalization of an old theorem that relates the KL divergence between regular exponential families and divergences between their natural parameters. We complete this picture with additional results and experimental insights on how these results may be used to ground further improvements of GAN architectures.

We introduce TrustVI, a fast second-order algorithm for black-box variational inference based on trust-region optimization and the reparameterization trick. At each iteration, TrustVI proposes and assesses a step based on minibatches of draws from the variational distribution. The algorithm provably converges to a stationary point. We implement TrustVI in the Stan framework and compare it to ADVI. TrustVI typically converges in tens of iterations to a solution at least as good as the one that ADVI reaches in thousands of iterations. TrustVI iterations can be more computationally expensive, but total computation is typically an order of magnitude less in our experiments.

Most of the existing image-to-image translation frameworks---mapping an image in one domain to a corresponding image in another---are based on supervised learning, i.e., pairs of corresponding images in two domains are required for learning the translation function. This largely limits their applications, because capturing corresponding images in two different domains is often a difficult task. To address the issue, we propose the UNsupervised Image-to-image Translation (UNIT) framework. The proposed framework is based on variational autoencoders and generative adversarial networks. It can learn the translation function without any corresponding images. We show this learning capability is enabled by combining a weight-sharing constraint and an adversarial objective and verify the effectiveness of the proposed framework through extensive experiment results.

A problem that has been of recent interest in statistical inference, machine learning and signal processing is that of understanding the asymptotic behavior of regularized least squares solutions under random measurement matrices (or dictionaries). The Least Absolute Shrinkage and Selection Operator (LASSO or least-squares with $\ell_1$ regularization) is perhaps one of the most interesting examples. Precise expressions for the asymptotic performance of LASSO have been obtained for a number of different cases, in particular when the elements of the dictionary matrix are sampled independently from a Gaussian distribution. It has also been empirically observed that the resulting expressions remain valid when the entries of the dictionary matrix are independently sampled from certain non-Gaussian distributions. In this paper, we confirm these observations theoretically when the distribution is sub-Gaussian. We further generalize the previous expressions for a broader family of regularization functions and under milder conditions on the underlying random, possibly non-Gaussian, dictionary matrix. In particular, we establish the universality of the asymptotic statistics (e.g., the average quadratic risk) of LASSO with non-Gaussian dictionaries.

In this paper, we analyze the numerics of common algorithms for training Generative Adversarial Networks (GANs). Using the formalism of smooth two-player games we analyze the associated gradient vector field of GAN training objectives. Our findings suggest that the convergence of current algorithms suffers due to two factors: i) presence of eigenvalues of the Jacobian of the gradient vector field with zero real-part, and ii) eigenvalues with big imaginary part. Using these findings, we design a new algorithm that overcomes some of these limitations and has better convergence properties. Experimentally, we demonstrate its superiority on training common GAN architectures and show convergence on GAN architectures that are known to be notoriously hard to train.

This paper takes a step towards temporal reasoning in a dynamically changing video, not in the pixel space that constitutes its frames, but in a latent space that describes the non-linear dynamics of the objects in its world. We introduce the Kalman variational auto-encoder, a framework for unsupervised learning of sequential data that disentangles two latent representations: an object's representation, coming from a recognition model, and a latent state describing its dynamics. As a result, the evolution of the world can be imagined and missing data imputed, both without the need to generate high dimensional frames at each time step. The model is trained end-to-end on videos of a variety of simulated physical systems, and outperforms competing methods in generative and missing data imputation tasks.

We propose in this paper a novel approach to tackle the problem of mode collapse encountered in generative adversarial network (GAN). Our idea is intuitive but proven to be very effective, especially in addressing some key limitations of GAN. In essence, it combines the Kullback-Leibler (KL) and reverse KL divergences into a unified objective function, thus it exploits the complementary statistical properties from these divergences to effectively diversify the estimated density in capturing multi-modes. We term our method dual discriminator generative adversarial nets (D2GAN) which, unlike GAN, has two discriminators; and together with a generator, it also has the analogy of a minimax game, wherein a discriminator rewards high scores for samples from data distribution whilst another discriminator, conversely, favoring data from the generator, and the generator produces data to fool both two discriminators. We develop theoretical analysis to show that, given the maximal discriminators, optimizing the generator of D2GAN reduces to minimizing both KL and reverse KL divergences between data distribution and the distribution induced from the data generated by the generator, hence effectively avoiding the mode collapsing problem. We conduct extensive experiments on synthetic and real-world large-scale datasets (MNIST, CIFAR-10, STL-10, ImageNet), where we have made our best effort to compare our D2GAN with the latest state-of-the-art GAN's variants in comprehensive qualitative and quantitative evaluations. The experimental results demonstrate the competitive and superior performance of our approach in generating good quality and diverse samples over baselines, and the capability of our method to scale up to ImageNet database.

In this paper we study the well-known greedy coordinate descent (GCD) algorithm to solve $\ell_1$-regularized problems and improve GCD by the two popular strategies: Nesterov's acceleration and stochastic optimization. Firstly, we propose a new rule for greedy selection based on an $\ell_1$-norm square approximation which is nontrivial to solve but convex; then an efficient algorithm called ``SOft ThreshOlding PrOjection (SOTOPO)'' is proposed to exactly solve the $\ell_1$-regularized $\ell_1$-norm square approximation problem, which is induced by the new rule. Based on the new rule and the SOTOPO algorithm, the Nesterov's acceleration and stochastic optimization strategies are then successfully applied to the GCD algorithm. The resulted algorithm called accelerated stochastic greedy coordinate descent (ASGCD) has the optimal convergence rate $O(\sqrt{1/\epsilon})$; meanwhile, it reduces the iteration complexity of greedy selection up to a factor of sample size. Both theoretically and empirically, we show that ASGCD has better performance for high-dimensional and dense problems with sparse solution.

Generative adversarial networks (GANs) can implicitly learn rich distributions over images, audio, and data which are hard to model with an explicit likelihood. We present a practical Bayesian formulation for unsupervised and semi-supervised learning with GANs. We use stochastic gradient Hamiltonian Monte Carlo to marginalize the weights of generator and discriminator networks. The resulting approach is straightforward and obtains good performance without any standard interventions such as feature matching, or mini-batch discrimination. By exploring an expressive posterior over the parameters of the generator, the Bayesian GAN avoids mode-collapse, produces interpretable candidate samples with notable variability, and in particular provides state-of-the-art quantitative results for semi-supervised learning on benchmarks including SVHN, CelebA, and CIFAR-10, outperforming DCGAN, Wasserstein GANs, and DCGAN ensembles.

Early stopping of iterative algorithms is a widely-used form of regularization in statistical learning, commonly used in conjunction with boosting and related gradient-type algorithms. Although consistency results have been established in some settings, such estimators are less well-understood than their analogues based on penalized regularization. In this paper, for a relatively broad class of loss functions and boosting algorithms (including $L^2$-boost, LogitBoost and AdaBoost, among others), we connect the performance of a stopped iterate to the localized Rademacher/Gaussian complexity of the associated function class. This connection allows us to show that local fixed point analysis, now standard in the analysis of penalized estimators, can be used to derive optimal stopping rules. We derive such stopping rules in detail for various kernel classes, and illustrate the correspondence of our theory with practice for Sobolev kernel classes.

Generative adversarial networks (GAN) approximate a target data distribution by jointly optimizing an objective function through a "two-player game" between a generator and a discriminator. Despite their empirical success, however, two very basic questions on how well they can approximate the target distribution remain unanswered. First, it is not known how restricting the discriminator family affects the approximation quality. Second, while a number of different objective functions have been proposed, we do not understand when convergence to the global minima of the objective function leads to convergence to the target distribution under various notions of distributional convergence. In this paper, we address these questions in a broad and unified setting by defining a notion of adversarial divergences that includes a number of recently proposed objective functions. We show that if the objective function is an adversarial divergence with some additional conditions, then using a restricted discriminator family has a moment-matching effect. Additionally, we show that for objective functions that are strict adversarial divergences, convergence in the objective function implies weak convergence, thus generalizing previous results.

We show that the margin distribution --- normalized by a spectral complexity parameter --- is strongly predictive of neural network generalization performance. Namely, we 1) Use the margin distribution to correctly predict whether deep neural networks generalize under changes to label distribution such as randomization. That is, the margin distribution accurately predicts the difficulty of deep learning tasks. We further show that normalizing the margin by the network's spectral complexity is critical to obtaining this predictive power, and finally use the margin distribution to compare the generalization performance of multiple networks across different datasets on even terms. Our corresponding generalization bound places these results on rigorous theoretical footing.

Generative adversarial nets (GANs) are a promising technique for modeling a distribution from samples. It is however well known that GAN training suffers from instability due to the nature of its maximin formulation. In this paper, we explore ways to tackle the instability problem by dualizing the discriminator. We start from linear discriminators in which case conjugate duality provides a mechanism to reformulate the maximin objective into a maximization problem, such that both the generator and the discriminator of this ‘dualing GAN’ act in concert. We then demonstrate how to extend this intuition to non-linear formulations. For GANs with linear discriminators our approach is able to remove the instability in training, while for GANs with nonlinear discriminators our approach provides an alternative to the commonly used GAN training algorithm.

We analyze the dynamics of an online algorithm for independent component analysis in the high-dimensional scaling limit. As the ambient dimension tends to infinity, and with proper time scaling, we show that the time-varying joint empirical measure of the target feature vector and the estimates provided by the algorithm will converge weakly to a deterministic measured-valued process that can be characterized as the unique solution of a nonlinear PDE. Numerical solutions of this PDE, which involves two spatial variables and one time variable, can be efficiently obtained. These solutions provide detailed information about the performance of the ICA algorithm, as many practical performance metrics are functionals of the joint empirical measures. Numerical simulations show that our asymptotic analysis is accurate even for moderate dimensions. In addition to providing a tool for understanding the performance of the algorithm, our PDE analysis also provides useful insight. In particular, in the high-dimensional limit, the original coupled dynamics associated with the algorithm will be asymptotically ''decoupled'', with each coordinate independently solving a 1-D effective minimization problem via stochastic gradient descent. Exploiting this insight to design new algorithms for achieving optimal trade-offs between computational and statistical efficiency may prove an interesting line of future research.

Recently, a new class of machine learning algorithms has emerged, where models and discriminators are generated in a competitive setting. The most prominent example is Generative Adversarial Networks (GANs). In this paper we examine how these algorithms relate to the famous Turing test, and derive what - from a Turing perspective - can be considered their defining features. Based on these features, we outline directions for generalizing GANs - resulting in the family of algorithms referred to as Turing Learning. One such direction is to allow the discriminators to interact with the processes from which the data samples are obtained, making them "interrogators", as in the Turing test. We validate this idea using two case studies. In the first case study, a computer infers the behavior of an agent while controlling its environment. In the second case study, a robot infers its own sensor configuration while controlling its movements. The results confirm that by allowing discriminators to interrogate, the accuracy of models is improved.

In this paper, we propose ELF, an Extensive, Lightweight and Flexible platform for fundamental reinforcement learning research. Using ELF, we implement a highly customizable real-time strategy (RTS) engine with three game environments (Mini-RTS, Capture the Flag and Tower Defense). Mini-RTS, as a miniature version of StarCraft, captures key game dynamics and runs at 165K frame- per-second (FPS) on a Macbook Pro notebook. When coupled with modern reinforcement learning methods, the system can train a full-game bot against built-in AIs end-to-end in one day with 6 CPUs and 1 GPU. In addition, our platform is flexible in terms of environment-agent communication topologies, choices of RL methods, changes in game parameters, and can host existing C/C++-based game environments like ALE. Using ELF, we thoroughly explore training parameters and show that a network with Leaky ReLU and Batch Normalization coupled with long-horizon training and progressive curriculum beats the rule-based built-in AI more than 70% of the time in the full game of Mini-RTS. Strong performance is also achieved on the other two games. In game replays, we show our agents learn interesting strategies. ELF, along with its RL platform, will be open-sourced.

Adaptive optimization methods, which perform local optimization with a metric constructed from the history of iterates, are becoming increasingly popular for training deep neural networks. Examples include AdaGrad, RMSProp, and Adam. We show that for simple over-parameterized problems, adaptive methods often find drastically different solutions than vanilla stochastic gradient descent (SGD). We construct an illustrative binary classification problem where the data is linearly separable, SGD achieves zero test error, and AdaGrad and Adam attain test errors arbitrarily close to 1/2. We additionally study the empirical generalization capability of adaptive methods on several state-of-the-art deep learning models. We observe that the solutions found by adaptive methods generalize worse (often significantly worse) than SGD, even when these solutions have better training performance. These results suggest that practitioners should reconsider the use of adaptive methods to train neural networks.

We introduce Imagination-Augmented Agents (I2As), a novel architecture for deep reinforcement learning combining model-free and model-based aspects. In contrast to most existing model-based reinforcement learning and planning methods, which prescribe how a model should be used to arrive at a policy, I2As learn to interpret predictions from a trained environment model to construct implicit plans in arbitrary ways, by using the predictions as additional context in deep policy networks. I2As show improved data efficiency, performance, and robustness to model misspecification compared to several strong baselines.

Most distributed machine learning systems nowadays, including TensorFlow and CNTK, are built in a centralized fashion. One bottleneck of centralized algorithms lies on high communication cost on the central node. Motivated by this, we ask, can decentralized algorithms be faster than its centralized counterpart? Although decentralized PSGD (D-PSGD) algorithms have been studied by the control community, existing analysis and theory do not show any advantage over centralized PSGD (C-PSGD) algorithms, simply assuming the application scenario where only the decentralized network is available. In this paper, we study a D-PSGD algorithm and provide the first theoretical analysis that indicates a regime in which decentralized algorithms might outperform centralized algorithms for distributed stochastic gradient descent. This is because D-PSGD has comparable total computational complexities to C-PSGD but requires much less communication cost on the busiest node. We further conduct an empirical study to validate our theoretical analysis across multiple frameworks (CNTK and Torch), different network configurations, and computation platforms up to 112 GPUs. On network configurations with low bandwidth or high latency, D-PSGD can be up to one order of magnitude faster than its well-optimized centralized counterparts.

In this work, we present a simple, highly efficient and modularized Dual Path Network (DPN) for image classification which presents a new topology of connection paths internally. By revealing the equivalence of the state-of-the-art Residual Network (ResNet) and Densely Convolutional Network (DenseNet) within the HORNN framework, we find that ResNet enables feature re-usage while DenseNet enables new features exploration which are both important for learning good representations. To enjoy the benefits from both path topologies, our proposed Dual Path Network shares common features while maintaining the flexibility to explore new features through dual path architectures. Extensive experiments on three benchmark datasets, ImagNet-1k, Places365 and PASCAL VOC, clearly demonstrate superior performance of the proposed DPN over state-of-the-arts. In particular, on the ImagNet-1k dataset, a shallow DPN surpasses the best ResNeXt-101(64x4d) with 26% smaller model size, 25% less computational cost and 8% lower memory consumption, and a deeper DPN achieves the state-of-the-art single model performance with more than 3 times faster training speed. Experiments on the Places365 large-scale scene dataset, PASCAL VOC detection dataset, and PASCAL VOC segmentation dataset also demonstrate its consistently better performance than DenseNet, ResNet and the latest ResNeXt model over various applications.

Due to their simplicity and excellent performance, parallel asynchronous variants of stochastic gradient descent have become popular methods to solve a wide range of large-scale optimization problems on multi-core architectures.Yet, despite their practical success, support for nonsmooth objectives is still lacking, making them unsuitable for many problems of interest in machine learning, such as the Lasso, group Lasso or empirical risk minimization with box constraints. Key technical issues explain this paucity, both in the design of such algorithms and in their asynchronous analysis. In this work, we propose and analyze ProxASAGA, a fully asynchronous sparse method inspired by SAGA, a variance reduced incremental gradient algorithm. The proposed method is easy to implement and significantly outperforms the state of the art on several nonsmooth, large-scale problems. We prove that our method achieves a theoretical linear speedup with respect to the sequential version under assumptions on the sparsity of gradients and block-separability of the proximal term. Empirical benchmarks on a multi-core architecture illustrate practical speedups of up to 13x on a 20-core machine.

Relational reasoning is a central component of generally intelligent behavior, but has proven difficult for neural networks to learn. In this paper we describe how to use Relation Networks (RNs) as a simple plug-and-play module to solve problems that fundamentally hinge on relational reasoning. We tested RN-augmented networks on three tasks: visual question answering using a challenging dataset called CLEVR, on which we achieve state-of-the-art, super-human performance; text-based question answering using the bAbI suite of tasks; and complex reasoning about dynamical physical systems. Then, using a curated dataset called Sort-of-CLEVR we show that powerful convolutional networks do not have a general capacity to solve relational questions, but can gain this capacity when augmented with RNs. Thus, by simply augmenting convolutions, LSTMs, and MLPs with RNs, we can remove computational burden from network components that are not well-suited to handle relational reasoning, reduce overall network complexity, and gain a general ability to reason about the relations between entities and their properties.

Stochastic optimization algorithms with variance reduction have proven successful for minimizing large finite sums of functions. Unfortunately, these techniques are unable to deal with stochastic perturbations of input data, induced for example by data augmentation. In such cases, the objective is no longer a finite sum, and the main candidate for optimization is the stochastic gradient descent method (SGD). In this paper, we introduce a variance reduction approach for these settings when the objective is composite and strongly convex. The convergence rate outperforms SGD with a typically much smaller constant factor, which depends on the variance of gradient estimates only due to perturbations on a single example.

Abstract Prevailing batch Bayesian optimisation methods allow all the control variables to be freely altered at each iteration. Real-world experiments, however, have physical limitations making it time-consuming to alter all settings for each recommendation in a batch. This gives rise to a unique problem in BO: in a recommended batch, a set of variables that are expensive to experimentally change need to be constrained and the remaining control variables are varied. We formulate this as process-constrained batch Bayesian optimisation problem. We propose algorithms pc-BO and pc-PEBO and show that the regret of pc-BO is sublinear. We demonstrate the performance of both pc-BO and pc-PEBO by optimising benchmark test functions, tuning hyper-parameters of the SVM classifier, optimising the heat-treatment process for an Al-Sc alloy to achieve target hardness, and optimising the short nano-fiber production process.

The dominant sequence transduction models are based on complex recurrent orconvolutional neural networks in an encoder and decoder configuration. The best performing such models also connect the encoder and decoder through an attentionm echanisms. We propose a novel, simple network architecture based solely onan attention mechanism, dispensing with recurrence and convolutions entirely.Experiments on two machine translation tasks show these models to be superiorin quality while being more parallelizable and requiring significantly less timeto train. Our single model with 165 million parameters, achieves 27.5 BLEU onEnglish-to-German translation, improving over the existing best ensemble result by over 1 BLEU. On English-to-French translation, we outperform the previoussingle state-of-the-art with model by 0.7 BLEU, achieving a BLEU score of 41.1.

Importance sampling has become an indispensable strategy to speed up optimization algorithms for large-scale applications. Improved adaptive variants -- using importance values defined by the complete gradient information which changes during optimization -- enjoy favorable theoretical properties, but are typically computationally infeasible. In this paper we propose an efficient approximation of gradient-based sampling, which is based on safe bounds on the gradient. The proposed sampling distribution is (i) provably the \emph{best sampling} with respect to the given bounds, (ii) always better than uniform sampling and fixed importance sampling and (iii) can efficiently be computed -- in many applications at negligible extra cost. The proposed sampling scheme is generic and can easily be integrated into existing algorithms. In particular, we show that coordinate-descent (CD) and stochastic gradient descent (SGD) can enjoy significant a speed-up under the novel scheme. The proven efficiency of the proposed sampling is verified by extensive numerical testing.

The design of good heuristics or approximation algorithms for NP-hard combinatorial optimization problems often requires significant specialized knowledge and trial-and-error. Can we automate this challenging, tedious process, and learn the algorithms instead? In many real-world applications, it is typically the case that the same optimization problem is solved again and again on a regular basis, maintaining the same problem structure but differing in the data. This provides an opportunity for learning heuristic algorithms that exploit the structure of such recurring problems. In this paper, we propose a unique combination of reinforcement learning and graph embedding to address this challenge. The learned greedy policy behaves like a meta-algorithm that incrementally constructs a solution, and the action is determined by the output of a graph embedding network capturing the current state of the solution. We show our framework can be applied to a diverse range of optimization problems over graphs, and learns effective algorithms for the Minimum Vertex Cover, Maximum Cut and Traveling Salesman problems.

Affine policies (or control) are widely used as a solution approach in dynamic optimization where computing an optimal adjustable solution is usually intractable. While the worst case performance of affine policies can be significantly bad, the empirical performance is observed to be near-optimal for a large class of problem instances. For instance, in the two-stage dynamic robust optimization problem with linear covering constraints and uncertain right hand side, the worst-case approximation bound for affine policies is $O(\sqrt m)$ that is also tight (see Bertsimas and Goyal (2012)), whereas observed empirical performance is near-optimal. In this paper, we aim to address this stark-contrast between the worst-case and the empirical performance of affine policies. In particular, we show that affine policies give a good approximation for the two-stage adjustable robust optimization problem with high probability on random instances where the constraint coefficients are generated i.i.d. from a large class of distributions; thereby, providing a theoretical justification of the observed empirical performance. On the other hand, we also present a distribution such that the performance bound for affine policies on instances generated according to that distribution is $\Omega(\sqrt m)$ with high probability; however, the constraint coefficients are not i.i.d.. This demonstrates that the empirical performance of affine policies can depend on the generative model for instances.

Deep neural networks are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in neural networks is a challenging and yet unsolved problem. Bayesian neural networks, 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) neural networks. We propose an alternative to Bayesian neural networks, that is simple to implement, readily parallelisable 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 neural networks. 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 unseen data. We demonstrate the scalability of our method by evaluating predictive uncertainty estimates on ImageNet.

Slow running or straggler tasks can significantly reduce computation speed in distributed computation. Recently, coding-theory-inspired approaches have been applied to mitigate the effect of straggling, through embedding redundancy in certain linear computational steps of the optimization algorithm, thus completing the computation without waiting for the stragglers. In this paper, we propose an alternate approach where we embed the redundancy in the data instead of the computation, and allow the nodes to operate completely oblivious to encoding. We propose several encoding schemes, and demonstrate that popular batch algorithms, such as gradient descent and L-BFGS, applied in a coding-oblivious manner, deterministically achieve sample path linear convergence to an approximate solution of the original problem, using an arbitrarily varying subset of the nodes at each iteration. Moreover, this approximation can be controlled by the choice of the encoding matrix and the number of nodes used in each iteration. We provide experimental results demonstrating the advantage of the approach over uncoded and replication strategies.

This paper studies the evaluation of policies that recommend an ordered set of items (e.g., a ranking) based on some context---a common scenario in web search, ads, and recommendation. We build on techniques from combinatorial bandits to introduce a new practical estimator. A thorough empirical evaluation on real-world data reveals that our estimator is accurate in a variety of settings, including as a subroutine in a learning-to-rank task, where it achieves competitive performance. We derive conditions under which our estimator is unbiased---these conditions are weaker than prior heuristics for slate evaluation---and experimentally demonstrate a smaller bias than parametric approaches, even when these conditions are violated. Finally, our theory and experiments also show exponential savings in the amount of required data compared with general unbiased estimators.

Answering "What if?" questions is important in many domains. For example, would a patient's disease progression slow down if I were to give them a dose of drug A? Ideally, we answer our question using an experiment, but this is not always possible (e.g., it may be unethical). As an alternative, we can use non-experimental data to learn models that make counterfactual predictions of what we would observe had we run an experiment. In this paper, we propose the counterfactual GP, a counterfactual model of continuous-time trajectories (time series) under sequences of actions taken in continuous-time. We develop our model within the potential outcomes framework of Neyman and Rubin. The counterfactual GP is trained using a joint maximum likelihood objective that adjusts for dependencies between observed actions and outcomes in the training data. We report two sets of experimental results using the counterfactual GP. The first shows that it can be used to learn the natural progression (i.e. untreated progression) of biomarker trajectories from observational data. In the second, we show how the CGP can be used for medical decision support by learning counterfactual models of renal health under different types of dialysis.

We introduce a new formulation of the Hidden Parameter Markov Decision Process (HiP-MDP), a framework for modeling families of related tasks using low-dimensional latent embeddings. We replace the original Gaussian Process-based model with a Bayesian Neural Network. Our new framework correctly models the joint uncertainty in the latent weights and the state space and has more scalable inference, thus expanding the scope the HiP-MDP to applications with higher dimensions and more complex dynamics.

We introduce a practical way of introducing convolutional structure into Gaussian processes, which makes them better suited to high-dimensional inputs like images than existing kernels. The main contribution of our work is the construction of an inter-domain inducing point approximation that is well-tailored to the convolutional kernel. This allows us to gain the generalisation benefit of a convolutional kernel, together with fast but accurate posterior inference. We investigate several variations of the convolutional kernel, and apply it to MNIST and CIFAR-10 that have been known to be challenging for Gaussian processes. We also show how the marginal likelihood can be used to find an optimal weighting between convolutional and RBF kernels to further improve performance. We hope this illustration of the usefulness of a marginal likelihood will help to automate discovering architectures in larger models.

Autonomous agents optimize the reward function we give them. What they don't know is how hard it is for us to design a reward function that actually captures what we want. When designing the reward, we might think of some specific scenarios (driving on clean roads), and make sure that the reward will lead to the right behavior in \emph{those} scenarios. Inevitably, agents encounter \emph{new} scenarios (snowy roads), and optimizing the reward can lead to undesired behavior (driving too fast). Our insight in this work is that reward functions are merely \emph{observations} about what the designer \emph{actually} wants, and that they should be interpreted in the context in which they were designed. We introduce \emph{Inverse Reward Design} (IRD) as the problem of inferring the true reward based on the designed reward and the training MDP. We introduce approximate methods for solving IRD problems, and use their solution to plan risk-averse behavior in test MDPs. Empirical results suggest that this approach takes a step towards alleviating negative side effects and preventing reward hacking.

Machine learning can impact people with legal or ethical consequences when it is used to automate decisions in areas such as insurance, lending, hiring, and predictive policing. In many of these scenarios, previous decisions have been made that are unfairly biased against certain subpopulations, for example those of a particular race, gender, or sexual orientation. Since this past data may be biased, machine learning predictors must account for this to avoid perpetuating or creating discriminatory practices. In this paper, we develop a framework for modeling fairness using tools from causal inference. Our definition of counterfactual fairness captures the intuition that a decision is fair towards an individual if it the same in (a) the actual world and (b) a counterfactual world where the individual belonged to a different demographic group. We demonstrate our framework on a real-world problem of fair prediction of success in law school.

In reinforcement learning, agents learn by taking actions and observing their outcomes. Sometimes, it is desirable for a human operator to \textit{interrupt} an agent in order to prevent dangerous situations from happening. Yet, as part of their learning process, agents may link these interruptions, that impact their reward, to specific states and deliberately avoid them. The situation is particularly challenging in a multi-agent context because agents might not only learn from their own past interruptions, but also from those of other agents. Orseau and Armstrong~\cite{orseau2016safely} defined \emph{safe interruptibility} for one learner, but their work does not naturally extend to multi-agent systems. This paper introduces \textit{dynamic safe interruptibility}, an alternative definition more suited to decentralized learning problems, and studies this notion in two learning frameworks: \textit{joint action learners} and \textit{independent learners}. We give realistic sufficient conditions on the learning algorithm to enable dynamic safe interruptibility in the case of joint action learners, yet show that these conditions are not sufficient for independent learners. We show however that if agents can detect interruptions, it is possible to prune the observations to ensure dynamic safe interruptibility even for independent learners.

There is rapidly growing interest in using Bayesian optimization to tune model and inference hyperparameters for machine learning algorithms that take a long time to run. For example, Spearmint is a popular software package for selecting the optimal number of layers and learning rate in neural networks. But given that there is uncertainty about which hyperparameters give the best predictive performance, and given that fitting a model for each choice of hyperparameters is costly, it is arguably wasteful to "throw away" all but the best result, as per Bayesian optimization. A related issue is the danger of overfitting the validation data when optimizing many hyperparameters. In this paper, we consider an alternative approach that uses more samples from the hyperparameter selection procedure to average over the uncertainty in model hyperparameters. The resulting approach, empirical Bayes for hyperparameter averaging (EB-Hyp) predicts held-out data better than Bayesian optimization in two experiments on latent Dirichlet allocation and deep latent Gaussian models. EB-Hyp suggests a simpler approach to evaluating and deploying machine learning algorithms that does not require a separate validation data set and hyperparameter selection procedure.

Statistical performance bounds for reinforcement learning (RL) algorithms can be critical for high-stakes applications like healthcare. This paper introduces a new framework for theoretically measuring the performance of such algorithms called Uniform-PAC, which is a strengthening of the classical Probably Approximately Correct (PAC) framework. In contrast to the PAC framework, the uniform version may be used to derive high probability regret guarantees and so forms a bridge between the two setups that has been missing in the literature. We demonstrate the benefits of the new framework for finite-state episodic MDPs with a new algorithm that is Uniform-PAC and simultaneously achieves optimal regret and PAC guarantees except for a factor of the horizon.

Generalized linear models (GLMs)---such as logistic regression, Poisson regression, and robust regression---provide interpretable models for diverse data types. Probabilistic approaches, particularly Bayesian ones, allow coherent estimates of uncertainty, incorporation of prior information, and sharing of power across experiments via hierarchical models. In practice, however, the approximate Bayesian methods necessary for inference have either failed to scale to large data sets or failed to provide theoretical guarantees on the quality of inference. We propose a new approach based on constructing polynomial approximate sufficient statistics for GLMs (PASS-GLM). We demonstrate that our method admits a simple algorithm as well as trivial streaming and distributed extensions that do not compound error across computations. We provide theoretical guarantees on the quality of point (MAP) estimates, the approximate posterior, and posterior mean and uncertainty estimates. We validate our approach empirically in the case of logistic regression using a quadratic approximation and show competitive performance in terms of both speed and accuracy---including on an advertising data set with 40 million data points and 20,000 covariates.

We introduce a novel repeated Inverse Reinforcement Learning problem: the agent has to act on behalf of a human in a sequence of tasks and wishes to minimize the number of tasks that it surprises the human by acting suboptimally with respect to how the human would have acted. Each time the human is surprised the agent is provided a demonstration of the desired behavior by the human. We formalize this problem, including how the sequence of tasks is chosen, in a few different ways and provide some foundational results.

Gaussian process regression generally does not scale to beyond a few thousands data points without applying some sort of kernel approximation method. Most approximations focus on the high eigenvalue part of the spectrum of the kernel matrix, $K$, which leads to bad performance when the length scale of the kernel is small. In this paper we introduce Multiresolution Kernel Approximation (MKA), the first true broad bandwidth kernel approximation algorithm. Important points about MKA are that it is memory efficient, and it is a direct method, which means that it also makes it easy to approximate $K^{-1}$ and $\mathop{\textrm{det}}(K)$.

There is a growing interest in learning data representations that work well for many different types of problems and data. In this paper, we look in particular at the task of learning a single visual representation that can be successfully utilized in the analysis of very different types of images, from dog breeds to stop signs and digits. Inspired by recent work on learning networks that predict the parameters of another, we develop a tunable deep network architecture that, by means of adapter residual modules, can be steered on the fly to diverse visual domains. Our method achieves a high degree of parameter sharing while maintaining or even improving the accuracy of domain-specific representations. We also introduce the Visual Decathlon Challenge, a benchmark that evaluates the ability of representations to capture simultaneously ten very different visual domains and measures their ability to recognize well uniformly.

We consider Bayesian methods for multi-information source optimization (MISO), in which we seek to optimize an expensive-to-evaluate black-box objective function while also accessing cheaper but biased and noisy approximations ("information sources"). We present a novel algorithm that outperforms the state of the art for this problem by using a joint statistical model of the information sources better suited to MISO than those used by previous approaches, and a novel acquisition function based on a one-step optimality analysis supported by efficient parallelization. We provide a guarantee on the asymptotic quality of the solution provided by this algorithm. Experimental evaluations demonstrate that this algorithm consistently finds designs of higher value at less cost than previous approaches.

Neural networks have a smooth initial inductive bias, such that small changes in input do not lead to large changes in output. However, in reinforcement learning domains with sparse rewards, value functions have non-smooth structure with a characteristic asymmetric discontinuity whenever rewards arrive. We propose a mechanism that learns an interpolation between a direct value estimate and a projected value estimate computed from the encountered reward and the previous estimate. This reduces the need to learn about discontinuities, and thus improves the value function approximation. Furthermore, as the interpolation is learned and state-dependent, our method can deal with heterogeneous observability. We demonstrate that this one change leads to significant improvements on multiple Atari games, when applied to the state-of-the-art A3C algorithm.

Deep Gaussian processes (DGPs) are multi-layer generalizations of GPs, but inference in these models has proved challenging. Existing approaches to inference in DGP models assume approximate posteriors that force independence between the layers, and do not work well in practice. We present a doubly stochastic variational inference algorithm, which does not force independence between layers. With our method of inference we demonstrate that a DGP model can be used effectively on data ranging in size from hundreds to a billion points. We provide strong empirical evidence that our inference scheme for DGPs works well in practice in both classification and regression.

Deep reinforcement learning algorithms have been shown to learn complex tasks using highly general policy classes. However, sparse reward problems remain a significant challenge. Exploration methods based on novelty detection have been particularly successful in such settings but typically require generative or predictive models of the observations, which can be difficult to train when the observations are very high-dimensional and complex, as in the case of raw images. We propose a novelty detection algorithm for exploration that is based entirely on discriminatively trained exemplar models, where classifiers are trained to discriminate each visited state against all others. Intuitively, novel states are easier to distinguish against other states seen during training. We show that this kind of discriminative modeling corresponds to implicit density estimation, and that it can be combined with count-based exploration to produce competitive results on a range of popular benchmark tasks, including state-of-the-art results on challenging egocentric observations in the vizDoom benchmark.

Learning Bayesian networks using both observational and interventional data is now a fundamentally important problem due to recent technological developments in genomics that generate single-cell gene expression data at a very large scale. In order to utilize this data for learning gene regulatory networks, efficient and reliable causal inference algorithms are needed that can make use of both observational and interventional data. In this paper, we present two algorithms of this type and prove that both are consistent under the faithfulness assumption. These algorithms are interventional adaptations of the Greedy SP algorithm and are the first algorithms using both observational and interventional data with consistency guarantees. Moreover, these algorithms have the advantage that they are non-parametric, which makes them useful for analyzing inherently non-Gaussian gene expression data. In this paper, we present these two algorithms and their consistency guarantees, and we analyze their performance on simulated data, protein signaling data, and single-cell gene expression data.

The option framework integrates temporal abstraction into the reinforcement learning model through the introduction of macro-actions (i.e., options). Recent works leveraged on the mapping of Markov decision processes (MDPs) with options to semi-MDPs (SMDPs) and introduced SMDP-versions of exploration-exploitation algorithms (e.g., \rmaxsmdp and \ucrlsmdp) to analyze the impact of options on the learning performance. Nonetheless, the PAC-SMDP sample complexity of \rmaxsmdp can hardly be translated into equivalent PAC-MDP theoretical guarantees, while \ucrlsmdp requires prior knowledge of the parameters characterizing the distributions of the cumulative reward and duration of each option, which are hardly available in practice. In this paper we remove this limitation by combining the SMDP view together with the inner Markov structure of options into a novel algorithm whose regret performance matches \ucrlsmdp's up to an additive regret term. We show scenarios where this term is negligible and the advantage of temporal abstraction is preserved. We also report preliminary empirical result supporting the theoretical findings.

Tandem mass spectrometry (MS/MS) is a high-throughput technology used to identify the proteins in a complex biological sample, such as a drop of blood. A collection of spectra is generated at the output of the process, each spectrum of which is representative of a peptide (protein subsequence) present in the original complex sample. In this work, we leverage the log-likelihood gradients of generative models to improve the identification of such spectra. In particular, we show that the gradient of a recently proposed dynamic Bayesian network (DBN) may be naturally employed by a kernel-based discriminative classifier. The resulting Fisher kernel substantially improves upon recent attempts to combine generative and discriminative models for post-processing analysis, outperforming all other methods on the evaluated datasets. We extend the improved accuracy offered by the Fisher kernel framework to other search algorithms by introducing Theseus, a DBN representating a large number of widely used MS/MS scoring functions. Furthermore, with gradient ascent and max-product inference at hand, we use Theseus to learn model parameters without any supervision.

Transfer in reinforcement learning refers to the notion that generalization should occur not only within a task but also across tasks. We propose a transfer framework for the scenario where the reward function changes from one task to the other but the environment's dynamics remain the same. Our approach rests on two key ideas: "successor features", a value function representation that decouples the dynamics of the environment from the rewards, and "generalized policy improvement", a generalization of dynamic programming's policy improvement step that considers a set of policies rather than a single one. Put together, the two ideas lead to an approach that integrates seamlessly within the reinforcement learning framework and allows the free exchange of information between tasks. The proposed method also provides performance guarantees for the transferred policy even before any learning has taken place. We derive two theorems that set our approach in firm theoretical ground and present experiments that show that it successfully promotes transfer in practice, significantly outperforming alternative methods in a sequence of navigation tasks and in the control of a simulated two-joint robotic arm.

This paper focuses on style transfer on the basis of un-paired text. This is an instance of broader family of problems including machine translation, decipherment, and sentiment modification. The key technical challenge is to separate the content from desired text characteristics such as sentiment. We leverage refined cross-alignment of latent representations, across mono-lingual text corpora with different characteristics. We deliberately modify encoded examples according to their characteristics, requiring the reproduced instances to match, as a population, available examples with the altered characteristics. We demonstrate the effectiveness of the method on three tasks: sentiment modification, decipherment of word substitution cyphers, and recovery of word reodering.

Catastrophic forgetting is a problem of neural networks that loses the information of the first task after training the second task. Here, we propose incremental moment matching (IMM) to resolve this problem. IMM incrementally matches the moment of the posterior distribution of neural networks, which is trained for the first and the second task, respectively. To make the search space of posterior parameter smooth, the IMM procedure is complemented by various transfer learning techniques including weight transfer, L2-norm of the old and the new parameter, and a variant of dropout with the old parameter. We analyze our approach on various datasets including the MNIST, CIFAR-10, Caltech-UCSD-Birds, and Lifelog datasets. Experimental results show that IMM achieves state-of-the-art performance in a variety of datasets and can balance the information between an old and a new network.

We propose a deep learning approach to premise selection: selecting relevant mathematical statements for the automated proof of a given conjecture. We represent a higher-order logic formula as a graph that is invariant to variable renaming, but at the same time fully preserves syntactic and semantic information. We then embed the graph into a continuous vector via a novel embedding method that preserves the information of edge ordering. Our approach achieves the state-of-the-art results on the HolStep dataset, improving the classification accuracy from 83% to 90.3%.

We study the question of fair clustering under the {\em disparate impact} doctrine, where each protected class must have approximately equal representation in every cluster. We formulate the fair clustering problem under both the $k$-center and the $k$-median objectives, and show that even with two protected classes the problem is challenging, as the optimum solution violates common conventions---for instance a point may no longer be assigned to its nearest cluster center! En route we introduce the concept of fairlets, which are minimal sets that satisfy fair representation while approximately preserving the clustering objective. We show that any fair clustering problem can be decomposed into first finding appropriate fairlets, and then using existing machinery for traditional clustering algorithms. While finding good fairlets can be NP-hard, we proceed to obtain efficient approximation algorithms based on minimum cost flow. We empirically demonstrate the \emph{price of fairness} by comparing the value of fair clustering on real-world datasets with sensitive attributes.

Designing optimal treatment plans for patients with comorbidities requires accurate cause-specific mortality prognosis. Motivated by the recent availability of linked electronic health records, we develop a nonparametric Bayesian model for survival analysis with competing risks, which can be used for jointly assessing a patient's risk of multiple (competing) adverse outcomes. The model views a patient's survival times with respect to the competing risks as the outputs of a deep multi-task Gaussian process (DMGP), the inputs to which are the patients' covariates. Unlike parametric survival analysis methods based on Cox and Weibull models, our model uses DMGPs to capture complex non-linear interactions between the patients' covariates and cause-specific survival times, thereby learning flexible patient-specific and cause-specific survival curves, all in a data-driven fashion without explicit parametric assumptions on the hazard rates. We propose a variational inference algorithm that is capable of learning the model parameters from time-to-event data while handling right censoring. Experiments on synthetic and real data show that our model outperforms the state-of-the-art survival models.

In this paper, we develop an algorithm that approximates the residual error of Tucker decomposition, one of the most popular tensor decomposition methods, with a provable guarantee. Given an order-$K$ tensor $X\in\mathbb{R}^{N_1\times\cdots\times N_K}$, our algorithm randomly samples a constant number $s$ of indices for each mode and creates a ``mini'' tensor $\tilde{X}\in\mathbb{R}^{s\times\cdots\times s}$, whose elements are given by the intersection of the sampled indices on $X$. Then, we show that the residual error of the Tucker decomposition of $\tilde{X}$ is sufficiently close to that of $X$ with high probability. This result implies that we can figure out how much we can fit a low-rank tensor to $X$ \emph{in constant time}, regardless of the size of $X$. This is useful for guessing the favorable rank of Tucker decomposition. Finally, we demonstrate how the sampling method works quickly and accurately using multiple real datasets.

We present a new model DRNET that learns disentangled image representations from video. Our approach leverages the temporal coherence of video and a novel adversarial loss to learn a representation that factorizes each frame into a stationary part and a temporally varying component. The disentangled representation can be used for a range of tasks. For example, applying a standard LSTM to the time-vary components enables prediction of future frames. We evaluating our approach on a range of synthetic and real videos. For the latter, we demonstrate the ability to coherently generate up to several hundred steps into the future.

Imitation learning has traditionally been applied to learn a single task from demonstrations thereof. The requirement of structured and isolated demonstrations limits the scalability of imitation learning approaches as they are difficult to apply to real-world scenarios, where robots have to be able to execute a multitude of tasks. In this paper, we propose a multi-modal imitation learning framework that is able to segment and imitate skills from unlabelled and unstructured demonstrations by learning skill segmentation and imitation learning jointly. The extensive simulation results indicate that our method can efficiently separate the demonstrations into individual skills and learn to imitate them using a single multi-modal policy.

We study a novel problem lying at the intersection of two areas: multi-armed bandit and outlier detection. Multi-armed bandit is a useful tool to model the process of incrementally collecting data for multiple objects in a decision space. Outlier detection is a powerful method to narrow down the attention to a few objects after the data for them are collected. However, no one has studied how to detect outlier objects while incrementally collecting data for them, which is necessary when data collection is expensive. We formalize this problem as identifying outlier arms in a multi-armed bandit. We propose two sampling strategies with theoretical guarantee, and analyze their sampling efficiency. Our experimental results on both synthetic and real data show that our solution saves 70-99% of data collection cost from baseline while having nearly perfect accuracy.

We consider the problem of active sequential hypothesis testing where a Bayesian decision maker must infer the true hypothesis from a set of hypotheses. The decision maker may choose for a set of actions, where the outcome of an action is corrupted by independent noise. In this paper we consider a special case where the decision maker has limited knowledge about the distribution of observations for each action, in that only a binary value is observed. Our objective is to infer the true hypothesis with low error, while minimizing the number of action sampled. Our main results include the derivation of a lower bound on sample size for our system under limited knowledge and the design of an active learning policy that matches this lower bound and outperforms similar known algorithms.

Robotic motion-planning problems, such as a UAV flying fast in a partially-known environment or a robot arm moving around cluttered objects, require finding collision-free paths quickly. Typically, this is solved by constructing a graph, where vertices represent robot configurations and edges represent potentially valid movements of the robot between theses configurations. The main computational bottlenecks are expensive edge evaluations to check for collisions. State of the art planning methods do not reason about the optimal sequence of edges to evaluate in order to find a collision free path quickly. In this paper, we do so by drawing a novel equivalence between motion planning and the Bayesian active learning paradigm of decision region determination (DRD). Unfortunately, a straight application of ex- isting methods requires computation exponential in the number of edges in a graph. We present BISECT, an efficient and near-optimal algorithm to solve the DRD problem when edges are independent Bernoulli random variables. By leveraging this property, we are able to significantly reduce computational complexity from exponential to linear in the number of edges. We show that BISECT outperforms several state of the art algorithms on a spectrum of planning problems for mobile robots, manipulators, and real flight data collected from a full scale helicopter. Open-source code and details can be found here: https://github.com/sanjibac/matlab_learning_collision_checking

We consider the Hypothesis Transfer Learning (HTL) problem where one incorporates a hypothesis trained on the source domain into the learning procedure of the target domain. Existing theoretical analysis either only studies specific algorithms or only presents upper bounds on the generalization error but not on the excess risk. In this paper, we propose a unified algorithm-dependent framework for HTL through a novel notion of transformation functions, which characterizes the relation between the source and the target domains. We conduct a general risk analysis of this framework and in particular, we show for the first time, if two domains are related, HTL enjoys faster convergence rates of excess risks for Kernel Smoothing and Kernel Ridge Regression than those of the classical non-transfer learning settings. We accompany this framework with an analysis of cross-validation for HTL to search for the best transfer technique and gracefully reduce to non-transfer learning when HTL is not helpful. Experiments on robotics and neural imaging data demonstrate the effectiveness of our framework.

There is rapidly growing interest in using Bayesian optimization to tune model and inference hyperparameters for machine learning algorithms that take a long time to run. For example, Spearmint is a popular software package for selecting the optimal number of layers and learning rate in neural networks. But given that there is uncertainty about which hyperparameters give the best predictive performance, and given that fitting a model for each choice of hyperparameters is costly, it is arguably wasteful to "throw away" all but the best result, as per Bayesian optimization. A related issue is the danger of overfitting the validation data when optimizing many hyperparameters. In this paper, we consider an alternative approach that uses more samples from the hyperparameter selection procedure to average over the uncertainty in model hyperparameters. The resulting approach, empirical Bayes for hyperparameter averaging (EB-Hyp) predicts held-out data better than Bayesian optimization in two experiments on latent Dirichlet allocation and deep latent Gaussian models. EB-Hyp suggests a simpler approach to evaluating and deploying machine learning algorithms that does not require a separate validation data set and hyperparameter selection procedure.

We present an approach towards convex optimization that relies on a novel scheme which converts adaptive online algorithms into offline methods. In the offline optimization setting, our derived methods are shown to obtain favourable adaptive guarantees which depend on the harmonic sum of the queried gradients. We further show that our methods implicitly adapt to the objective's structure: in the smooth case fast convergence rates are ensured without any prior knowledge of the smoothness parameter, while still maintaining guarantees in the non-smooth setting. Our approach has a natural extension to the stochastic setting, resulting in a lazy version of SGD (stochastic GD), where minibathces are chosen adaptively depending on the magnitude of the gradients. Thus providing a principled approach towards choosing minibatch sizes.

The sparse matrix estimation problem consists of estimating the distribution of an $n\times n$ matrix $Y$, from a sparsely observed single instance of this matrix where the entries of $Y$ are independent random variables. This captures a wide array of problems; special instances include matrix completion in the context of recommendation systems, graphon estimation, and community detection in (mixed membership) stochastic block models. Inspired by classical collaborative filtering for recommendation systems, we propose a novel iterative, collaborative filtering-style algorithm for matrix estimation in this generic setting. We show that the mean squared error (MSE) of our estimator converges to $0$ at the rate of $O(d^2 (pn)^{-2/5})$ as long as $\omega(d^5 n)$ random entries from a total of $n^2$ entries of $Y$ are observed (uniformly sampled), $\E[Y]$ has rank $d$, and the entries of $Y$ have bounded support. The maximum squared error across all entries converges to $0$ with high probability as long as we observe a little more, $\Omega(d^5 n \ln^5(n))$ entries. Our results are the best known sample complexity results in this generality.

Non-discrimination is a recognized objective in algorithmic decision making. In this paper, we introduce a novel probabilistic formulation of data pre-processing for reducing discrimination. We propose a convex optimization for learning a data transformation with three goals: controlling discrimination, limiting distortion in individual data samples, and preserving utility. We characterize the impact of limited sample size in accomplishing this objective. Two instances of the proposed optimization are applied to datasets, including one on real-world criminal recidivism. Results show that discrimination can be greatly reduced at a small cost in classification accuracy.

The adoption of automated, data-driven decision making in an ever expanding range of applications has raised concerns about its potential unfairness towards certain social groups. In this context, a number of recent studies have focused on defining, detecting, and removing unfairness from data-driven decision systems. However, the existing notions of fairness, based on parity (equality) in treatment or outcomes for different social groups, tend to be quite stringent, limiting the overall decision making accuracy. In this paper, we draw inspiration from the fair-division and envy-freeness literature in economics and game theory and propose preference-based notions of fairness -- given the choice between various sets of decision treatments or outcomes, any group of users would collectively prefer its treatment or outcomes, regardless of the (dis)parity as compared to the other groups. Then, we introduce tractable proxies to design margin-based classifiers that satisfy these preference-based notions of fairness. Finally, we experiment with a variety of synthetic and real-world datasets and show that preference-based fairness allows for greater decision accuracy than parity-based fairness.

We study fairness in collaborative-filtering recommender systems, which are sensitive to discrimination that exists in historical data. Biased data can lead collaborative-filtering methods to make unfair predictions for users from minority groups. We identify the insufficiency of existing fairness metrics and propose four new metrics that address different forms of unfairness. These fairness metrics can be optimized by adding fairness terms to the learning objective. Experiments on synthetic and real data show that our new metrics can better measure fairness than the baseline, and that the fairness objectives effectively help reduce unfairness.

Social media has brought a revolution on how people are consuming news. Beyond the undoubtedly large number of advantages brought by social-media platforms, a point of criticism has been the creation of echo chambers and filter bubbles, caused by social homophily and algorithmic personalization. In this paper we address the problem of balancing the information exposure} in a social network. We assume that two opposing campaigns (or viewpoints) are present in the network, and that network nodes have different preferences towards these campaigns. Our goal is to find two sets of nodes to employ in the respective campaigns, so that the overall information exposure for the two campaigns is balanced. We formally define the problem, characterize its hardness, develop approximation algorithms, and present experimental evaluation results. Our model is inspired by the literature on influence maximization, but we offer significant novelties. First, balance of information exposure is modeled by a symmetric difference function, which is neither monotone nor submodular, and thus, not amenable to existing approaches. Second, while previous papers consider a setting with selfish agents and provide bounds on best response strategies (i.e., move of the last player), we consider a setting with a centralized agent and provide bounds for a global objective function.

Recommendation for e-commerce with a mix of durable and nondurable goods has characteristics that distinguish it from the well-studied media recommendation problem. The demand for items is a combined effect of form utility and time utility, i.e., a product must both be intrinsically appealing to a consumer and the time must be right for purchase. In particular for durable goods, time utility is a function of inter-purchase duration within product category because consumers are unlikely to purchase two items in the same category in close temporal succession. Moreover, purchase data, in contrast to ratings data, is implicit with non-purchases not necessarily indicating dislike. Together, these issues give rise to the positive-unlabeled demand-aware recommendation problem that we pose via joint low-rank tensor completion and product category inter-purchase duration vector estimation. We further relax this problem and propose a highly scalable alternating minimization approach with which we can solve problems with millions of users and millions of items in a single thread. We also show superior prediction accuracies on multiple real-world data sets.

This paper focuses on style transfer on the basis of non-parallel text. This is an instance of a broad family of problems including machine translation, decipherment, and sentiment modification. The key challenge is to separate the content from other aspects such as style. We assume a shared latent content distribution across different text corpora, and propose a method that leverages refined alignment of latent representations to perform style transfer. The transferred sentences from one style should match example sentences from the other style as a population. We demonstrate the effectiveness of this cross-alignment method on three tasks: sentiment modification, decipherment of word substitution ciphers, and recovery of word order.

Despite the growing prominence of generative adversarial networks (GANs), optimization in GANs is still a poorly understood topic. In this paper, we analyze the ``gradient descent'' form of GAN optimization i.e., the natural setting where we simultaneously take small gradient steps in both generator and discriminator parameters. We show that even though GAN optimization does \emph{not} correspond to a convex-concave game (even for simple parameterizations), under proper conditions, equilibrium points of this optimization procedure are still \emph{locally asymptotically stable} for the traditional GAN formulation. On the other hand, we show that the recently proposed Wasserstein GAN can have non-convergent limit cycles near equilibrium. Motivated by this stability analysis, we propose an additional regularization term for gradient descent GAN updates, which \emph{is} able to guarantee local stability for both the WGAN and the traditional GAN, and also shows practical promise in speeding up convergence and addressing mode collapse.

Nowozin \textit{et al} showed last year how to extend the GAN \textit{principle} to all $f$-divergences. The approach is elegant but falls short of a full description of the supervised game, and says little about the key player, the generator: for example, what does the generator actually converge to if solving the GAN game means convergence in some space of parameters? How does that provide hints on the generator's design and compare to the flourishing but almost exclusively experimental literature on the subject? In this paper, we unveil a broad class of distributions for which such convergence happens --- namely, deformed exponential families, a wide superset of exponential families ---. We show that current deep architectures are able to factorize a very large number of such densities using an especially compact design, hence displaying the power of deep architectures and their concinnity in the $f$-GAN game. This result holds given a sufficient condition on \textit{activation functions} --- which turns out to be satisfied by popular choices. The key to our results is a variational generalization of an old theorem that relates the KL divergence between regular exponential families and divergences between their natural parameters. We complete this picture with additional results and experimental insights on how these results may be used to ground further improvements of GAN architectures, via (i) a principled design of the activation functions in the generator and (ii) an explicit integration of proper composite losses' link function in the discriminator.

Recently, a new class of machine learning algorithms has emerged, where models and discriminators are generated in a competitive setting. The most prominent example is Generative Adversarial Networks (GANs). In this paper we examine how these algorithms relate to the famous Turing test, and derive what - from a Turing perspective - can be considered their defining features. Based on these features, we outline directions for generalizing GANs - resulting in the family of algorithms referred to as Turing Learning. One such direction is to allow the discriminators to interact with the processes from which the data samples are obtained, making them "interrogators", as in the Turing test. We validate this idea using two case studies. In the first case study, a computer infers the behavior of an agent while controlling its environment. In the second case study, a robot infers its own sensor configuration while controlling its movements. The results confirm that by allowing discriminators to interrogate, the accuracy of models is improved.

Generative adversarial networks (GANs) can implicitly learn rich distributions over images, audio, and data which are hard to model with an explicit likelihood. We present a practical Bayesian formulation for unsupervised and semi-supervised learning with GANs. Within this framework, we use stochastic gradient Hamiltonian Monte Carlo to marginalize the weights of the generator and discriminator networks. The resulting approach is straightforward and obtains good performance without any standard interventions such as feature matching or mini-batch discrimination. By exploring an expressive posterior over the parameters of the generator, the Bayesian GAN avoids mode-collapse, produces interpretable and diverse candidate samples, and provides state-of-the-art quantitative results for semi-supervised learning on benchmarks including SVHN, CelebA, and CIFAR-10, outperforming DCGAN, Wasserstein GANs, and DCGAN ensembles.

Generative Adversarial Nets (GANs) have shown promise in image generation and semi-supervised learning (SSL). However, existing GANs in SSL have two problems: (1) the generator and the discriminator (i.e. the classifier) may not be optimal at the same time; and (2) the generator cannot control the semantics of the generated samples. The problems essentially arise from the two-player formulation, where a single discriminator shares incompatible roles of identifying fake samples and predicting labels and it only estimates the data without considering the labels. To address the problems, we present triple generative adversarial net (Triple-GAN), which consists of three players---a generator, a discriminator and a classifier. The generator and the classifier characterize the conditional distributions between images and labels, and the discriminator solely focuses on identifying fake image-label pairs. We design compatible utilities to ensure that the distributions characterized by the classifier and the generator both converge to the data distribution. Our results on various datasets demonstrate that Triple-GAN as a unified model can simultaneously (1) achieve the state-of-the-art classification results among deep generative models, and (2) disentangle the classes and styles of the input and transfer smoothly in the data space via interpolation in the latent space class-conditionally.

In this paper, we describe the "PixelGAN autoencoder", a generative autoencoder in which the generative path is a convolutional autoregressive neural network on pixels (PixelCNN) that is conditioned on a latent code, and the recognition path uses a generative adversarial network (GAN) to impose a prior distribution on the latent code. We show that different priors result in different decompositions of information between the latent code and the autoregressive decoder. For example, by imposing a Gaussian distribution as the prior, we can achieve a global vs. local decomposition, or by imposing a categorical distribution as the prior, we can disentangle the style and content information of images in an unsupervised fashion. We further show how the PixelGAN autoencoder with a categorical prior can be directly used in semi-supervised settings and achieve competitive semi-supervised classification results on the MNIST, SVHN and NORB datasets.

Data augmentation is a ubiquitous technique for increasing the size of labeled training sets by leveraging task-specific data transformations that preserve class labels. While it is often easy for domain experts to specify individual transformations, constructing and tuning the more sophisticated compositions typically needed to achieve state-of-the-art results is a time-consuming manual task in practice. We propose a method for automating this process by learning a generative sequence model over user-specified transformation functions using a generative adversarial approach. Our method can make use of arbitrary, non-deterministic transformation functions, is robust to misspecified user input, and is trained on unlabeled data. The learned transformation model can then be used to perform data augmentation for any end discriminative model. In our experiments, we show the efficacy of our approach on both image and text datasets, achieving improvements of 4.0 accuracy points on CIFAR-10, 1.4 F1 points on the ACE relation extraction task, and 3.4 accuracy points when using domain-specific transformation operations on a medical imaging dataset as compared to standard heuristic augmentation approaches.

Unsupervised image-to-image translation aims at learning a joint distribution of images in different domains by using images from the marginal distributions in individual domains. Since there exists an infinite set of joint distributions that can arrive the given marginal distributions, one could infer nothing about the joint distribution from the marginal distributions without additional assumptions. To address the problem, we make a shared-latent space assumption and propose an unsupervised image-to-image translation framework based on Coupled GANs. We compare the proposed framework with competing approaches and present high quality image translation results on various challenging unsupervised image translation tasks, including street scene image translation, animal image translation, and face image translation. We also apply the proposed framework to domain adaptation and achieve state-of-the-art performance on benchmark datasets. Code and additional results are available in https://github.com/mingyuliutw/unit.

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomenon. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmically with the number of weight updates. We therefore propose a "random walk on a random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

The design of good heuristics or approximation algorithms for NP-hard combinatorial optimization problems often requires significant specialized knowledge and trial-and-error. Can we automate this challenging, tedious process, and learn the algorithms instead? In many real-world applications, it is typically the case that the same optimization problem is solved again and again on a regular basis, maintaining the same problem structure but differing in the data. This provides an opportunity for learning heuristic algorithms that exploit the structure of such recurring problems. In this paper, we propose a unique combination of reinforcement learning and graph embedding to address this challenge. The learned greedy policy behaves like a meta-algorithm that incrementally constructs a solution, and the action is determined by the output of a graph embedding network capturing the current state of the solution. We show that our framework can be applied to a diverse range of optimization problems over graphs, and learns effective algorithms for the Minimum Vertex Cover, Maximum Cut and Traveling Salesman problems.

In large part, rodents “see” the world through their whiskers, a powerful tactile sense enabled by a series of brain areas that form the whisker-trigeminal system. Raw sensory data arrives in the form of mechanical input to the exquisitely sensitive, actively-controllable whisker array, and is processed through a sequence of neural circuits, eventually arriving in cortical regions that communicate with decision making and memory areas. Although a long history of experimental studies has characterized many aspects of these processing stages, the computational operations of the whisker-trigeminal system remain largely unknown. In the present work, we take a goal-driven deep neural network (DNN) approach to modeling these computations. First, we construct a biophysically-realistic model of the rat whisker array. We then generate a large dataset of whisker sweeps across a wide variety of 3D objects in highly-varying poses, angles, and speeds. Next, we train DNNs from several distinct architectural families to solve a shape recognition task in this dataset. Each architectural family represents a structurally-distinct hypothesis for processing in the whisker-trigeminal system, corresponding to different ways in which spatial and temporal information can be integrated. We find that most networks perform poorly on the challenging shape recognition task, but that specific architectures from several families can achieve reasonable performance levels. Finally, we show that Representational Dissimilarity Matrices (RDMs), a tool for comparing population codes between neural systems, can separate these higher performing networks with data of a type that could plausibly be collected in a neurophysiological or imaging experiment. Our results are a proof-of-concept that DNN models of the whisker-trigeminal system are potentially within reach.

We introduce a paradigm for understanding physical scenes without human annotations. At the core of our system is a physical world representation that is first recovered by a perception module and then utilized by physics and graphics engines. During training, the perception module and the generative models learn by visual de-animation --- interpreting and reconstructing the visual information stream. During testing, the system first recovers the physical world state, and then uses the generative models for reasoning and future prediction. Even more so than forward simulation, inverting a physics or graphics engine is a computationally hard problem; we overcome this challenge by using a convolutional inversion network. Our system quickly recognizes the physical world state from appearance and motion cues, and has the flexibility to incorporate both differentiable and non-differentiable physics and graphics engines. We evaluate our system on both synthetic and real datasets involving multiple physical scenes, and demonstrate that our system performs well on both physical state estimation and reasoning problems. We further show that the knowledge learned on the synthetic dataset generalizes to constrained real images.

What can we infer from hearing an object falling onto the ground? Based on knowledge of the physical world, humans are able to infer rich information from such limited data: rough shape of the object, its material, the height of falling, etc. In this paper, we aim to approximate such competency. We first mimic the human knowledge about the physical world using a fast physics-based generative model. Then, we present an analysis-by-synthesis approach to infer properties of the falling object. We further approximate human past experience by directly mapping audio to object properties using deep learning with self-supervision. We evaluate our method through behavioral studies, where we compare human predictions with ours on inferring object shape, material, and initial height of falling. Results show that our method achieves near-human performance, without any annotations.

This paper proposes Deep Hyperalignment (DHA) as a regularized, deep extension, scalable Hyperalignment (HA) method, which is well-suited for applying functional alignment to fMRI datasets with nonlinearity, high-dimensionality (broad ROI), and a large number of subjects. Unlink previous methods, DHA is not limited by a restricted fixed kernel function. Further, it uses a parametric approach, rank-m Singular Value Decomposition (SVD), and stochastic gradient descent for optimization. Therefore, DHA has a suitable time complexity for large datasets, and DHA does not require the training data when it computes the functional alignment for a new subject. Experimental studies on multi-subject fMRI analysis confirm that the DHA method achieves superior performance to other state-of-the-art HA algorithms.

Due to their simplicity and excellent performance, parallel asynchronous variants of stochastic gradient descent have become popular methods to solve a wide range of large-scale optimization problems on multi-core architectures. Yet, despite their practical success, support for nonsmooth objectives is still lacking, making them unsuitable for many problems of interest in machine learning, such as the Lasso, group Lasso or empirical risk minimization with convex constraints. In this work, we propose and analyze ProxASAGA, a fully asynchronous sparse method inspired by SAGA, a variance reduced incremental gradient algorithm. The proposed method is easy to implement and significantly outperforms the state of the art on several nonsmooth, large-scale problems. We prove that our method achieves a theoretical linear speedup with respect to the sequential version under assumptions on the sparsity of gradients and block-separability of the proximal term. Empirical benchmarks on a multi-core architecture illustrate practical speedups of up to 12x on a 20-core machine.

Affine policies (or control) are widely used as a solution approach in dynamic optimization where computing an optimal adjustable solution is usually intractable. While the worst case performance of affine policies can be significantly bad, the empirical performance is observed to be near-optimal for a large class of problem instances. For instance, in the two-stage dynamic robust optimization problem with linear covering constraints and uncertain right hand side, the worst-case approximation bound for affine policies is $O(\sqrt m)$ that is also tight (see Bertsimas and Goyal (2012)), whereas observed empirical performance is near-optimal. In this paper, we aim to address this stark-contrast between the worst-case and the empirical performance of affine policies. In particular, we show that affine policies give a good approximation for the two-stage adjustable robust optimization problem with high probability on random instances where the constraint coefficients are generated i.i.d. from a large class of distributions; thereby, providing a theoretical justification of the observed empirical performance. On the other hand, we also present a distribution such that the performance bound for affine policies on instances generated according to that distribution is $\Omega(\sqrt m)$ with high probability; however, the constraint coefficients are not i.i.d.. This demonstrates that the empirical performance of affine policies can depend on the generative model for instances.

In this paper, we provide a rigorous theoretical study of clustering with noisy queries. Given a set of $n$ elements, our goal is to recover the true clustering by asking minimum number of pairwise queries to an oracle. Oracle can answer queries of the form ``do elements $u$ and $v$ belong to the same cluster?''-the queries can be asked interactively (adaptive queries), or non-adaptively up-front, but its answer can be erroneous with probability $p$. In this paper, we provide the first information theoretic lower bound on the number of queries for clustering with noisy oracle in both situations. We design novel algorithms that closely match this query complexity lower bound, even when the number of clusters is unknown. Moreover, we design computationally efficient algorithms both for the adaptive and non-adaptive settings. The problem captures/generalizes multiple application scenarios. It is directly motivated by the growing body of work that use crowdsourcing for {\em entity resolution}, a fundamental and challenging data mining task aimed to identify all records in a database referring to the same entity. Here crowd represents the noisy oracle, and the number of queries directly relates to the cost of crowdsourcing. Another application comes from the problem of sign edge prediction in social network, where social interactions can be both positive and negative, and one must identify the sign of all pair-wise interactions by querying a few pairs. Furthermore, clustering with noisy oracle is intimately connected to correlation clustering, leading to improvement therein. Finally, it introduces a new direction of study in the popular stochastic block model where one has an incomplete stochastic block model matrix to recover the clusters.

In recent years, stochastic gradient descent (SGD) based techniques has become the standard tools for training neural networks. However, formal theoretical understanding of why SGD can train neural networks in practice is largely missing. In this paper, we make progress on understanding this mystery by providing a convergence analysis for SGD on a rich subset of two-layer feedforward networks with ReLU activations. This subset is characterized by a special structure called "identity mapping". We prove that, if input follows from Gaussian distribution, with standard $O(1/\sqrt{d})$ initialization of the weights, SGD converges to the global minimum in polynomial number of steps. Unlike normal vanilla networks, the "identity mapping" makes our network asymmetric and thus the global minimum is unique. To complement our theory, we are also able to show experimentally that multi-layer networks with this mapping have better performance compared with normal vanilla networks. Our convergence theorem differs from traditional non-convex optimization techniques. We show that SGD converges to optimal in "two phases": In phase I, the gradient points to the wrong direction, however, a potential function $g$ gradually decreases. Then in phase II, SGD enters a nice one point convex region and converges. We also show that the identity mapping is necessary for convergence, as it moves the initial point to a better place for optimization. Experiment verifies our claims.

Most distributed machine learning systems nowadays, including TensorFlow and CNTK, are built in a centralized fashion. One bottleneck of centralized algorithms lies on high communication cost on the central node. Motivated by this, we ask, can decentralized algorithms be faster than its centralized counterpart? Although decentralized PSGD (D-PSGD) algorithms have been studied by the control community, existing analysis and theory do not show any advantage over centralized PSGD (C-PSGD) algorithms, simply assuming the application scenario where only the decentralized network is available. In this paper, we study a D-PSGD algorithm and provide the first theoretical analysis that indicates a regime in which decentralized algorithms might outperform centralized algorithms for distributed stochastic gradient descent. This is because D-PSGD has comparable total computational complexities to C-PSGD but requires much less communication cost on the busiest node. We further conduct an empirical study to validate our theoretical analysis across multiple frameworks (CNTK and Torch), different network configurations, and computation platforms up to 112 GPUs. On network configurations with low bandwidth or high latency, D-PSGD can be up to one order of magnitude faster than its well-optimized centralized counterparts.

Slow running or straggler tasks can significantly reduce computation speed in distributed computation. Recently, coding-theory-inspired approaches have been applied to mitigate the effect of straggling, through embedding redundancy in certain linear computational steps of the optimization algorithm, thus completing the computation without waiting for the stragglers. In this paper, we propose an alternate approach where we embed the redundancy directly in the data itself, and allow the computation to proceed completely oblivious to encoding. We propose several encoding schemes, and demonstrate that popular batch algorithms, such as gradient descent and L-BFGS, applied in a coding-oblivious manner, deterministically achieve sample path linear convergence to an approximate solution of the original problem, using an arbitrarily varying subset of the nodes at each iteration. Moreover, this approximation can be controlled by the amount of redundancy and the number of nodes used in each iteration. We provide experimental results demonstrating the advantage of the approach over uncoded and data replication strategies.

Alternating direction method of multipliers (ADMM) has received tremendous interest for solving numerous problems in machine learning, statistics and signal processing. However, it is known that the performance of ADMM and many of its variants is very sensitive to the penalty parameter of a quadratic penalty applied to the equality constraints. Although several approaches have been proposed for dynamically changing this parameter during the course of optimization, they do not yield theoretical improvement in the convergence rate and are not directly applicable to stochastic ADMM. In this paper, we develop a new ADMM and its linearized variant with a new adaptive scheme to update the penalty parameter. Our methods can be applied under both deterministic and stochastic optimization settings for structured non-smooth objective function. The novelty of the proposed scheme lies at that it is adaptive to a local sharpness property of the objective function, which marks the key difference from previous adaptive scheme that adjusts the penalty parameter per-iteration based on certain conditions on iterates. On theoretical side, given the local sharpness characterized by an exponent $\theta\in(0, 1]$, we show that the proposed ADMM enjoys an improved iteration complexity of $\widetilde O(1/\epsilon^{1-\theta})$\footnote{$\widetilde O()$ suppresses a logarithmic factor.} in the deterministic setting and an iteration complexity of $\widetilde O(1/\epsilon^{2(1-\theta)})$ in the stochastic setting without smoothness and strong convexity assumptions. The complexity in either setting improves that of the standard ADMM which only uses a fixed penalty parameter. On the practical side, we demonstrate that the proposed algorithms converge comparably to, if not much faster than, ADMM with a fine-tuned fixed penalty parameter.

Importance sampling has become an indispensable strategy to speed up optimization algorithms for large-scale applications. Improved adaptive variants -- using importance values defined by the complete gradient information which changes during optimization -- enjoy favorable theoretical properties, but are typically computationally infeasible. In this paper we propose an efficient approximation of gradient-based sampling, which is based on safe bounds on the gradient. The proposed sampling distribution is (i) provably the \emph{best sampling} with respect to the given bounds, (ii) always better than uniform sampling and fixed importance sampling and (iii) can efficiently be computed -- in many applications at negligible extra cost. The proposed sampling scheme is generic and can easily be integrated into existing algorithms. In particular, we show that coordinate-descent (CD) and stochastic gradient descent (SGD) can enjoy significant a speed-up under the novel scheme. The proven efficiency of the proposed sampling is verified by extensive numerical testing.

Learning in models with discrete latent variables is challenging due to high variance gradient estimators. Generally, approaches have relied on control variates to reduce the variance of the REINFORCE estimator. Recent work \citep{jang2016categorical, maddison2016concrete} has taken a different approach, introducing a continuous relaxation of discrete variables to produce low-variance, but biased, gradient estimates. In this work, we combine the two approaches through a novel control variate that produces low-variance, \emph{unbiased} gradient estimates. Then, we introduce a modification to the continuous relaxation and show that the tightness of the relaxation can be adapted online, removing it as a hyperparameter. We show state-of-the-art variance reduction on several benchmark generative modeling tasks, generally leading to faster convergence to a better final log-likelihood.

Bayesian models are established as one of the main successful paradigms for complex problems in machine learning. To handle intractable inference, research in this area has developed new approximation methods that are fast and effective. However, theoretical analysis of the performance of such approximations is not well developed. The paper furthers such analysis by providing bounds on the excess risk of variational inference algorithms and related regularized loss minimization algorithms for a large class of latent variable models with Gaussian latent variables. We strengthen previous results for variational algorithms by showing they are competitive with any point-estimate predictor. Unlike previous work, we also provide bounds on the risk of the \emph{Bayesian} predictor and not just the risk of the Gibbs predictor for the same approximate posterior. The bounds are applied in complex models including sparse Gaussian processes and correlated topic models. Theoretical results are complemented by identifying novel approximations to the Bayesian objective that attempt to minimize the risk directly. An empirical evaluation compares the variational and new algorithms shedding further light on their performance.

Making a good decision involves considering the likely outcomes under each possible action. For example, would drug A or drug B lead to a better outcome for this patient? Ideally, we answer these questions using an experiment, but this is not always possible (e.g., it may be unethical). As an alternative, we can use non-experimental data to learn models that make counterfactual predictions of what we would observe had we run an experiment. To learn such models for decision-making problems, we propose the use of counterfactual objectives in lieu of classical supervised learning objectives. We implement this idea in a challenging and frequently occurring context, and propose the counterfactual GP (CGP), a counterfactual model of continuous-time trajectories (time series) under sequences of actions taken in continuous-time. We develop our model within the potential outcomes framework of Neyman and Rubin. The counterfactual GP is trained using a joint maximum likelihood objective that adjusts for dependencies between observed actions and outcomes in the training data. We report two sets of experimental results. First, we show that the CGP’s predictions are reliable; they are stable to changes in certain characteristics of the training data that are not relevant to the decision-making problem. Predictive models trained using classical supervised learning objectives, however, are not stable to such perturbations. In the second experiment, we use data from a real intensive care unit (ICU) and qualitatively demonstrate how the CGP's ability to answer "What if?" questions offers medical decision-makers a powerful new tool for planning treatment.

We consider Bayesian methods for multi-information source optimization (MISO), in which we seek to optimize an expensive-to-evaluate black-box objective function while also accessing cheaper but biased and noisy approximations ("information sources"). We present a novel algorithm that outperforms the state of the art for this problem by using a Gaussian process covariance kernel better suited to MISO than those used by previous approaches, and an acquisition function based on a one-step optimality analysis supported by efficient parallelization. We also provide a novel technique to guarantee the asymptotic quality of the solution provided by this algorithm. Experimental evaluations demonstrate that this algorithm consistently finds designs of higher value at less cost than previous approaches.

Gaussian process regression generally does not scale to beyond a few thousands data points without applying some sort of kernel approximation method. Most approximations focus on the high eigenvalue part of the spectrum of the kernel matrix, $K$, which leads to bad performance when the length scale of the kernel is small. In this paper we introduce Multiresolution Kernel Approximation (MKA), the first true broad bandwidth kernel approximation algorithm. Important points about MKA are that it is memory efficient, and it is a direct method, which means that it also makes it easy to approximate $K^{-1}$ and $\mathop{\textrm{det}}(K)$.

Statistical performance bounds for reinforcement learning (RL) algorithms can be critical for high-stakes applications like healthcare. This paper introduces a new framework for theoretically measuring the performance of such algorithms called Uniform-PAC, which is a strengthening of the classical Probably Approximately Correct (PAC) framework. In contrast to the PAC framework, the uniform version may be used to derive high probability regret guarantees and so forms a bridge between the two setups that has been missing in the literature. We demonstrate the benefits of the new framework for finite-state episodic MDPs with a new algorithm that is Uniform-PAC and simultaneously achieves optimal regret and PAC guarantees except for a factor of the horizon.

In reinforcement learning, agents learn by performing actions and observing their outcomes. Sometimes, it is desirable for a human operator to interrupt an agent in order to prevent dangerous situations from happening. Yet, as part of their learning process, agents may link these interruptions, that impact their reward, to specific states and deliberately avoid them. The situation is particularly challenging in a multi-agent context because agents might not only learn from their own past interruptions, but also from those of other agents. Orseau and Armstrong defined safe interruptibility for one learner, but their work does not naturally extend to multi-agent systems. This paper introduces dynamic safe interruptibility, an alternative definition more suited to decentralized learning problems, and studies this notion in two learning frameworks: joint action learners and independent learners. We give realistic sufficient conditions on the learning algorithm to enable dynamic safe interruptibility in the case of joint action learners, yet show that these conditions are not sufficient for independent learners. We show however that if agents can detect interruptions, it is possible to prune the observations to ensure dynamic safe interruptibility even for independent learners.

In this work we derive a variant of the classic Glivenko-Cantelli Theorem, which asserts uniform convergence of the empirical Cumulative Distribution Function (CDF) to the CDF of the underlying distribution. Our variant allows for tighter convergence bounds for extreme values of the CDF. We apply our bound in the context of revenue learning, which is a well-studied problem in economics and algorithmic game theory. We derive sample-complexity bounds on the uniform convergence rate of the empirical revenues to the true revenues, assuming a bound on the k'th moment of the valuations, for any (possibly fractional) k > 1. For uniform convergence in the limit, we give a complete characterization and a zero-one law: if the first moment of the valuations is finite, then uniform convergence almost surely occurs; conversely, if the first moment is infinite, then uniform convergence almost never occurs.

In this paper, we study the problem of learning a mixture of Gaussians with streaming data: given a stream of $N$ points in $d$ dimensions generated by an unknown mixture of $k$ spherical Gaussians, the goal is to estimate the model parameters using a single pass over the data stream. We analyze a streaming version of the popular Lloyd's heuristic and show that the algorithm estimates all the unknown centers of the component Gaussians accurately if they are sufficiently separated. Assuming each pair of centers are $C\sigma$ distant with $C=\Omega((k\log k)^{1/4}\sigma)$ and where $\sigma^2$ is the maximum variance of any Gaussian component, we show that asymptotically the algorithm estimates the centers optimally (up to certain constants); our center separation requirement matches the best known result for spherical Gaussians \citep{vempalawang}. For finite samples, we show that a bias term based on the initial estimate decreases at $O(1/{\rm poly}(N))$ rate while variance decreases at nearly optimal rate of $\sigma^2 d/N$. Our analysis requires seeding the algorithm with a good initial estimate of the true cluster centers for which we provide an online PCA based clustering algorithm. Indeed, the asymptotic per-step time complexity of our algorithm is the optimal $d\cdot k$ while space complexity of our algorithm is $O(dk\log k)$. In addition to the bias and variance terms which tend to $0$, the hard-thresholding based updates of streaming Lloyd's algorithm is agnostic to the data distribution and hence incurs an \emph{approximation error} that cannot be avoided. However, by using a streaming version of the classical \emph{(soft-thresholding-based)} EM method that exploits the Gaussian distribution explicitly, we show that for a mixture of two Gaussians the true means can be estimated consistently, with estimation error decreasing at nearly optimal rate, and tending to $0$ for $N\rightarrow \infty$.

In the online multiple testing problem, p-values corresponding to different null hypotheses are observed one by one, and the decision of whether or not to reject the current hypothesis must be made immediately, after which the next p-value is observed. Alpha-investing algorithms to control the false discovery rate (FDR), formulated by Foster and Stine, have been generalized and applied to many settings, including quality-preserving databases in science and multiple A/B or multi-armed bandit tests for internet commerce. This paper improves the class of generalized alpha-investing algorithms (GAI) in four ways: (a) we show how to uniformly improve the power of the entire class of monotone GAI procedures by awarding more alpha-wealth for each rejection, giving a win-win resolution to a recent dilemma raised by Javanmard and Montanari, (b) we demonstrate how to incorporate prior weights to indicate domain knowledge of which hypotheses are likely to be non-null, (c) we allow for differing penalties for false discoveries to indicate that some hypotheses may be more important than others, (d) we define a new quantity called the decaying memory false discovery rate (mem-FDR) that may be more meaningful for truly temporal applications, and which alleviates problems that we describe and refer to as “piggybacking” and “alpha-death.” Our GAI++ algorithms incorporate all four generalizations simulatenously, and reduce to more powerful variants of earlier algorithms when the weights and decay are all set to unity. Finally, we also describe a simple method to derive new online FDR rules based on an estimated false discovery proportion.

We consider a two-player sequential game in which agents have the same reward function but may disagree on the transition probabilities of an underlying Markovian model of the world. By committing to play a specific policy, the agent with the correct model can steer the behavior of the other agent, and seek to improve utility. We model this setting as a multi-view decision process, which we use to formally analyze the positive effect of steering policies. Furthermore, we develop an algorithm for computing the agents' achievable joint policy, and we experimentally show that it can lead to a large utility increase when the agents' models diverge.

On the face of it, most real-world world tasks are hopelessly complex from the point of view of reinforcement learning mechanisms. In particular, due to the ”curse of dimensionality”, even the simple task of crossing the street should, in principle, take thousands of trials to learn to master. But we are better than that.. How does our brain do it? In this talk, I will argue that the hardest part of learning is not assigning values or learning policies, but rather deciding on the boundaries of similarity between experiences, which define the ”states” that we learn about. I will show behavioral evidence that humans and animals are constantly engaged in this representation learning process, and suggest that in a not too far future, we may be able to read out these representations from the brain, and therefore find out how the brain has mastered this complex problem. I will formalize the problem of learning a state representation in terms of Bayesian inference with infinite capacity models, and suggest that an understanding of the computational problem of representation learning can lead to insights into the machine learning problem of transfer learning, and psychological/neuroscientific questions about the interplay between memory and learning.

Probabilistic and Bayesian reasoning is one of the principle theoretical pillars to our understanding of machine learning. Over the last two decades, it has inspired a whole range of successful machine learning methods and influenced the thinking of many researchers in the community. On the other hand, in the last few years the rise of deep learning has completely transformed the field and led to a string of phenomenal, era-defining, successes. In this talk I will explore the interface between these two perspectives on machine learning, and through a number of projects I have been involved in, explore questions like: How can probabilistic thinking help us understand deep learning methods or lead us to interesting new methods? Conversely, how can deep learning technologies help us develop advanced probabilistic methods?

In large part, rodents “see” the world through their whiskers, a powerful tactile sense enabled by a series of brain areas that form the whisker-trigeminal system. Raw sensory data arrives in the form of mechanical input to the exquisitely sensitive, actively-controllable whisker array, and is processed through a sequence of neural circuits, eventually arriving in cortical regions that communicate with decision making and memory areas. Although a long history of experimental studies has characterized many aspects of these processing stages, the computational operations of the whisker-trigeminal system remain largely unknown. In the present work, we take a goal-driven deep neural network (DNN) approach to modeling these computations. First, we construct a biophysically-realistic model of the rat whisker array. We then generate a large dataset of whisker sweeps across a wide variety of 3D objects in highly-varying poses, angles, and speeds. Next, we train DNNs from several distinct architectural families to solve a shape recognition task in this dataset. Each architectural family represents a structurally-distinct hypothesis for processing in the whisker-trigeminal system, corresponding to different ways in which spatial and temporal information can be integrated. We find that most networks perform poorly on the challenging shape recognition task, but that specific architectures from several families can achieve reasonable performance levels. Finally, we show that Representational Dissimilarity Matrices (RDMs), a tool for comparing population codes between neural systems, can separate these higher performing networks with data of a type that could plausibly be collected in a neurophysiological or imaging experiment. Our results are a proof-of-concept that DNN models of the whisker-trigeminal system are potentially within reach.

Autoregressive models are among the best performing neural density estimators. We describe an approach for increasing the flexibility of an autoregressive model, based on modelling the random numbers that the model uses internally when generating data. By constructing a stack of autoregressive models, each modelling the random numbers of the next model in the stack, we obtain a type of normalizing flow suitable for density estimation, which we call Masked Autoregressive Flow. This type of flow is closely related to Inverse Autoregressive Flow and is a generalization of Real NVP. Masked Autoregressive Flow achieves state-of-the-art performance in a range of general-purpose density estimation tasks.

Population activity measurement by calcium imaging can be combined with cellular resolution optogenetic activity perturbations to enable the mapping of neural connectivity in vivo. This requires accurate inference of perturbed and unperturbed neural activity from calcium imaging measurements, which are noisy and indirect, and can also be contaminated by photostimulation artifacts. We have developed a new fully Bayesian approach to jointly inferring spiking activity and neural connectivity from in vivo all-optical perturbation experiments. In contrast to standard approaches that perform spike inference and analysis in two separate maximum-likelihood phases, our joint model is able to propagate uncertainty in spike inference to the inference of connectivity and vice versa. We use the framework of variational autoencoders to model spiking activity using discrete latent variables, low-dimensional latent common input, and sparse spike-and-slab generalized linear coupling between neurons. Additionally, we model two properties of the optogenetic perturbation: off-target photostimulation and photostimulation transients. Our joint model includes at least two sets of discrete random variables; to avoid the dramatic slowdown typically caused by being unable to differentiate such variables, we introduce two strategies that have not, to our knowledge, been used with variational autoencoders. Using this model, we were able to fit models on 30 minutes of data in just 10 minutes. We performed an all-optical circuit mapping experiment in primary visual cortex of the awake mouse, and use our approach to predict neural connectivity between excitatory neurons in layer 2/3. Predicted connectivity is sparse and consistent with known correlations with stimulus tuning, spontaneous correlation and distance.

We study the problem of designing objective models for machine learning tasks defined on finite \emph{sets}. In contrast to the traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets and are invariant to permutations. Such problems are widespread, ranging from the estimation of population statistics, to anomaly detection in piezometer data of embankment dams, to cosmology. Our main theorem characterizes the permutation invariant objective functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Determining how much of the sensory information carried by a neural code contributes to behavioral performance is key to understand sensory function and neural information flow. However, there are as yet no analytical tools to compute this information that lies at the intersection between sensory coding and behavioral readout. Here we develop a novel measure, termed the information-theoretic intersection information $\III(R)$, that quantifies how much sensory information carried by a neural response $R$ is also used for behavior during perceptual discrimination tasks. Building on the Partial Information Decomposition framework, we define $\III(R)$ as the mutual information between the presented stimulus $S$ and the consequent behavioral choice $C$ that can be extracted from $R$. We compute $\III(R)$ in the analysis of two experimental cortical datasets, to show how this measure can be used to compare quantitatively the contributions of spike timing and spike rates to task performance, and to identify brain areas or neural populations that specifically transform sensory information into choice.

The iterations of many first-order algorithms, when applied to minimizing common regularized regression functions, often resemble neural network layers with pre-specified weights. This observation has prompted the development of learning-based approaches that purport to replace these iterations with enhanced surrogates forged as DNN models from available training data. For example, important NP-hard sparse estimation problems have recently benefitted from this genre of upgrade, with simple feedforward or recurrent networks ousting proximal gradient-based iterations. Analogously, this paper demonstrates that more powerful Bayesian algorithms for promoting sparsity, which rely on complex multi-loop majorization-minimization techniques, mirror the structure of more sophisticated long short-term memory (LSTM) networks, or alternative gated feedback networks previously designed for sequence prediction. As part of this development, we examine the parallels between latent variable trajectories operating across multiple time-scales during optimization, and the activations within deep network structures designed to adaptively model such characteristic sequences. The resulting insights lead to a novel sparse estimation system that, when granted training data, can estimate optimal solutions efficiently in regimes where other algorithms fail, including practical direction-of-arrival (DOA) and 3D geometry recovery problems. The underlying principles we expose are also suggestive of a learning process for a richer class of multi-loop algorithms in other domains.

We introduce a new paradigm for fast and rich physical scene understanding without human annotations. At the core of our system is a physical world representation recovered by a perception module and utilized by physics and graphics engines. During training, the perception module and the generative models learn by visual de-animation --- interpreting and reconstructing the visual information stream. During testing, the system first recovers the physical world state, and then uses the generative models for reasoning and future prediction. Unlike forward simulation, inverting a physics or graphics engine is a computationally hard problem; we overcome this challenge through the use of a convolutional inversion network. Our system quickly recognizes the physical world state from appearance and motion cues, and has the flexibility to incorporate both differentiable and non-differentiable physics and graphics engines. We evaluate our system on both synthetic and real datasets involving multiple physical scenes, and demonstrate that our system performs well on both physical state estimation and reasoning problems. We further show that the knowledge learned on the synthetic dataset generalizes to constrained real images.

Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow and, therefore cannot exploit many levels of abstract representations. We introduce self-normalizing neural networks (SNNs) to enable high-level abstract representations. While batch normalization requires explicit normalization, neuron activations of SNNs automatically converge towards zero mean and unit variance. The activation function of SNNs are "scaled exponential linear units" (SELUs), which induce self-normalizing properties. Using the Banach fixed-point theorem, we prove that activations close to zero mean and unit variance that are propagated through many network layers will converge towards zero mean and unit variance -- even under the presence of noise and perturbations. This convergence property of SNNs allows to (1) train deep networks with many layers, (2) employ strong regularization, and (3) to make learning highly robust. Furthermore, for activations not close to unit variance, we prove an upper and lower bound on the variance, thus, vanishing and exploding gradients are impossible. We compared SNNs on (a) 121 tasks from the UCI machine learning repository, on (b) drug discovery benchmarks, and on (c) astronomy tasks with standard FNNs and other machine learning methods such as random forests and support vector machines. For FNNs we considered (i) ReLU networks without normalization, (ii) batch normalization, (iii) layer normalization, (iv) weight normalization, (v) highway networks, (vi) residual networks. SNNs significantly outperformed all competing FNN methods at 121 UCI tasks, outperformed all competing methods at the Tox21 dataset, and set a new record at an astronomy data set. The winning SNN architectures are often very deep.

What can we infer from hearing an object falling onto the ground? Based on knowledge of the physical world, humans are able to infer rich information from such limited data: rough shape of the object, its material, the height of falling, etc. In this paper, we aim to approximate such competency. We first mimic the human knowledge about the physical world using a fast physics-based generative model. Then, we present an analysis-by-synthesis approach to infer properties of the falling object. We further approximate human past experience by directly mapping audio to object properties using deep learning with self-supervision. We evaluate our method through behavioral studies, where we compare human predictions with ours on inferring object shape, material, and initial height of falling. Results show that our method achieves near-human performance, without any annotations.

Batch Normalization is quite effective at accelerating and improving the training of deep models. However, its effectiveness diminishes when the training minibatches are small, or do not consist of independent samples. We hypothesize that this is due to the dependence of model layer inputs on all the examples in the minibatch, and different activations being produced between training and inference. We propose Batch Renormalization, a simple and effective extension to ensure that the training and inference models generate the same outputs that depend on individual examples rather than the entire minibatch. Models trained with Batch Renormalization perform substantially better than batchnorm when training with small or non-i.i.d. minibatches. At the same time, Batch Renormalization retains the benefits of batchnorm such as insensitivity to initialization and training efficiency.

This paper proposes Deep Hyperalignment (DHA) as a regularized, deep extension, scalable Hyperalignment (HA) method, which is well-suited for applying functional alignment to fMRI datasets with nonlinearity, high-dimensionality (broad ROI), and a large number of subjects. Unlink previous methods, DHA is not limited by a restricted fixed kernel function. Further, it uses a parametric approach, rank-m Singular Value Decomposition (SVD), and stochastic gradient descent for optimization. Consequently, the time complexity of DHA fairly scales with data size and the training data is not referenced when DHA computes the functional alignment for a new subject. Experimental studies on multi-subject fMRI analysis confirm that the DHA method achieves superior performance to other state-of-the-art HA algorithms.

Neural network configurations with random weights play an important role in the analysis of deep learning. They define the initial loss landscape and are closely related to kernel and random feature methods. Despite the fact that these networks are built out of random matrices, the vast and powerful machinery of random matrix theory has so far found limited success in studying them. A main obstacle in this direction is that neural networks are nonlinear, which prevents the straightforward utilization of many of the existing mathematical results. In this work, we open the door for direct applications of random matrix theory to deep learning by demonstrating that the pointwise nonlinearities typically applied in neural networks can be incorporated into a standard method of proof in random matrix theory known as the moments method. The test case for our study is the Gram matrix $Y^TY$, $Y=f(WX)$, where $W$ is a random weight matrix, $X$ is a random data matrix, and $f$ is a pointwise nonlinear activation function. We derive an explicit representation for the trace of the resolvent of this matrix, which defines its limiting spectral distribution. We apply these results to the computation of the asymptotic performance of single-layer random feature methods on a memorization task and to the analysis of the eigenvalues of the data covariance matrix as it propagates through a neural network. As a byproduct of our analysis, we identify an intriguing new class of activation functions with favorable properties.

Calcium imaging permits optical measurement of neural activity. Since intracellular calcium concentration is an indirect measurement of neural activity, computational tools are necessary to infer the true underlying spiking activity from fluorescence measurements. Bayesian model inversion can be used to solve this problem, but typically requires either computationally expensive MCMC sampling, or faster but approximate maximum-a-posteriori optimization. Here, we introduce a flexible algorithmic framework for fast, efficient and accurate extraction of neural spikes from imaging data. Using the framework of variational autoencoders, we propose to amortize inference by training a deep neural network to perform model inversion efficiently. The recognition network is trained to produce samples from the posterior distribution over spike trains. Once trained, performing inference amounts to a fast single forward pass through the network, without the need for iterative optimization or sampling. We show that amortization can be applied flexibly to a wide range of nonlinear generative models and significantly improves upon the state of the art in computation time, while achieving competitive accuracy. Our framework is also able to represent posterior distributions over spike-trains. We demonstrate the generality of our method by proposing the first probabilistic approach for separating backpropagating action potentials from putative synaptic inputs in calcium imaging of dendritic spines.

Convolutional neural networks are increasingly used outside the domain of image analysis, in particular in various areas of the Natural Sciences concerned with spatial data. Such networks often work out-of-the box, and in some cases entire model architectures from image analysis can be carried over to other problem domains almost unaltered. Unfortunately, this convenience does not trivially extend to data in non-euclidean spaces, such as spherical data. In this paper, we address the challenges that arise in this setting, in particular the lack of translational equivariance associated with using a grid based on uniform spacing in spherical coordinates. We present a definition of a spherical convolution that overcomes these issues, and extend our discussion to include scenarios of spherical volumes, with several strategies for parameterizing the radial dimension. As a proof of concept, we conclude with an assessment of the performance of spherical convolutions in the context of molecular modelling, by considering structural environments within proteins. We show that the model is capable of learning non-trivial functions in these molecular environments, and despite the lack of any domain specific feature-engineering, we demonstrate performance comparable to state-of-the-art methods in the field, which build on decades of domain-specific knowledge.

Recently, linear formulations and convex optimization methods have been proposed to predict diffusion-weighted Magnetic Resonance Imaging (dMRI) data given estimates of brain connections generated using tractography algorithms. The size of the linear models comprising such methods grows with both dMRI data and connectome resolution, and can become very large when applied to modern data. In this paper, we introduce a method to encode dMRI signals and large connectomes, i.e., those that range from hundreds of thousands to millions of fascicles (bundles of neuronal axons), by using a sparse tensor decomposition. We show that this tensor decomposition accurately approximates the Linear Fascicle Evaluation (LiFE) model, one of the recently developed linear models. We provide a theoretical analysis of the accuracy of the sparse decomposed model, LiFE_SD, and demonstrate that it can reduce the size of the model significantly. Also, we develop algorithms to implement the optimization solver using the tensor representation in an efficient way.

In this paper, we introduce a robust algorithm \textsl{TranSync} for the 1D translation synchronization problem, which aims to recover the global coordinates of a set of nodes from noisy relative measurements along a pre-defined observation graph. The basic idea of TranSync is to apply truncated least squares, where the solution at each step is used to gradually prune out noisy measurements. We analyze TranSync under a deterministic noisy model, demonstrating its robustness and stability. Experimental results on synthetic and real datasets show that TranSync is superior to state-of-the-art convex formulations in terms of both efficiency an accuracy.

We consider the analysis of Electroencephalography (EEG) and Local Field Potential (LFP) datasets, which are ``big'' in terms of the size of recorded data but rarely have sufficient labels required to train complex models (e.g., conventional deep learning methods). Furthermore, in many scientific applications the goal is to be able to understand the underlying features related to the classification, which prohibits the blind application of deep networks. This motivates the development of a new model based on parameterized convolutional filters guided by previous neuroscience research; the filters learn relevant frequency bands while targeting synchrony, which are frequency-specific power and phase correlations between electrodes. This results in a highly expressive convolutional neural network with only a few hundred parameters, applicable to smaller datasets. The proposed approach is demonstrated to yield competitive (often state-of-the-art) predictive performance during our empirical tests while yielding interpretable features. Further, a Gaussian process adapter is developed to combine analysis over distinct electrode layouts, allowing the joint processing of multiple datasets to address overfitting and improve generalizability. Finally, it is demonstrated that the proposed framework effectively tracks neural dynamics on children in a clinical trial on Autism Spectrum Disorder.

We propose a learning based, end-to-end motion capture model for monocular videos in the wild. Current state of the art solutions for motion capture from a single camera are optimization driven: they optimize the parameters of a 3D human model so that its re-projection matches measurements in the video (e.g. person segmentation, optical flow, keypoint detections etc.). Optimization models are susceptible to local minima. This has been the bottleneck that forced using clean green-screen like backgrounds at capture time, manual initialization, or switching to multiple cameras as input resource. Instead of optimizing mesh and skeleton parameters directly, our model optimizes neural network weights that predict 3D shape and skeleton configurations given a monocular RGB video. Our model is trained using a combination of strong supervision from synthetic data, and self-supervision from differentiable rendering of (a) skeletal keypoints, (b) dense 3D mesh motion, and (c) human-background segmentation, in an end-to-end trainable framework. Empirically we show our model combines the best of both worlds of supervised learning and test time optimization: supervised learning initializes the model parameters in the right regime, ensuring good pose and surface initialization at test time, without manual effort. Self-supervision by back-propagating through differentiable rendering allows (unsupervised) adaptation of the model to the test data, and offers much tighter fit that a pretrained fixed model. We show that the proposed model improves with experience and converges to low error solutions where previous optimization methods fail.

Decoding sensory stimuli from neural signals can be used to reveal how we sense our physical environment, and is critical for the design of brain-machine interfaces. However, existing linear techniques for neural decoding may not fully reveal or exploit the fidelity of the neural signal. Here we develop a new approximate Bayesian method for decoding natural images from the spiking activity of populations of retinal ganglion cells (RGCs). We sidestep known computational challenges with Bayesian inference by exploiting “amortized inference” via artificial neural networks developed for computer vision, which enables nonlinear decoding that incorporates natural scene statistics implicitly. We use a decoder architecture that first linearly reconstructs an image from RGC spikes, then applies a convolutional autoencoder to enhance the image. The resulting decoder, trained on natural images, significantly outperforms state-of-the-art linear decoding, as well as simple point-wise nonlinear decoding. Additionally, the decoder trained on natural images performs nearly as accurately on a subset of natural stimuli (faces) as a decoder trained specifically for the subset, a feature not observed with a linear decoder. These results provide a tool for the assessment and optimization of retinal prosthesis technologies, and reveal that the neural output of the retina may provide a more accurate representation of the visual scene than previously appreciated.

Multi-label classification is the task of predicting a set of labels for a given input instance. Classifier chains are a state-of-the-art method for tackling such problems, which essentially converts this problem into a sequential prediction problem, where the labels are first ordered in an arbitrary fashion, and the task is to predict a sequence of binary values for these labels. In this paper, we replace classifier chains with recurrent neural networks, a sequence-to-sequence prediction algorithm which has recently been successfully applied to sequential prediction tasks in many domains. The key advantage of such an approach is that it allows to share parameters across all classifiers in the prediction chain, a key property of multi-target prediction problems. As both, classifier chains and recurrent neural networks depend on a fixed ordering of the labels, which is typically not part of a multi-label problem specification, we also compare different ways of ordering the label set, and give some recommendations on suitable ordering strategies.

Existing research in machine learning and artificial intelligence has been constrained by a focus on specific tasks chosen either for their perceived importance in human intelligence, their expected practical impact, their suitability for testing and comparison, or simply by an accident of research trends. However, the intelligence landscape extends far beyond our current capabilities, with many unexplored dimensions that present themselves as new opportunities for research. This symposium explores this landscape across three main topics: a broader perspective of the possible types of intelligence beyond human intelligence, better measurements providing an improved understanding of research objectives and breakthroughs, and a more purposeful analysis of where progress should be made in this landscape in order to best benefit society. [Go to the symposium website for the latest version of the schedule](http://kindsofintelligence.org)

Modern learning systems, such as the recent deep learning, reinforcement learning, and probabilistic inference architectures, have become increasingly complex, often beyond the human ability to comprehend them. Such complexity is important: The more complex these systems are, the more powerful they often are. A new research problem has therefore emerged: How can the complexity, i.e. the design, components, and hyperparameters, be configured automatically so that these systems perform as well as possible? This is the problem of metalearning. Several approaches have emerged, including those based on Bayesian optimization, gradient descent, reinforcement learning, and evolutionary computation. The symposium presents an overview of these approaches, given by the researchers who developed them. Panel discussion compares the strengths of the different approaches and potential for future developments and applications. The audience will thus obtain a practical understanding of how to use metalearning to improve the learning systems they are using, as well as opportunities for research on metalearning in the future.<br><br>The Symposium schedule is available at the Symposium website <a href="http://metalearning-symposium.ml">metalearning-symposium.ml</a>. Speakers will include:<br>- Pieter Abbeel, Embodied Intelligence and UC Berkeley<br>- Chrisantha Fernando, DeepMind<br>- Roman Garnett, Washington Univ. St. Louis<br>- Frank Hutter, Freiburg Univ.<br>- Max Jaderberg, DeepMind<br>- Quoc Le, Google Brain<br>- Risto Miikkulainen, Sentient and UT Austin<br>- Juergen Schmidhuber, Nnaisense and IDSIA<br>- Satinder Singh, Cogitai and Univ. of Michigan<br>- Ilya Sutskever, OpenAI<br>- Ken Stanley, Uber and UCF<br>- Oriol Vinyals, DeepMind<br>- Jane Wang, DeepMind

Although the theory of reinforcement learning addresses an extremely general class of learning problems with a common mathematical formulation, its power has been limited by the need to develop task-specific feature representations. A paradigm shift is occurring as researchers figure out how to use deep neural networks as function approximators in reinforcement learning algorithms; this line of work has yielded remarkable empirical results in recent years. This workshop will bring together researchers working at the intersection of deep learning and reinforcement learning, and it will help researchers with expertise in one of these fields to learn about the other.

Complex machine learning models, such as deep neural networks, have recently achieved outstanding predictive performance in a wide range of applications, including visual object recognition, speech perception, language modeling, and information retrieval. There has since been an explosion of interest in interpreting the representations learned by these models, with profound implications for research into explainable ML, causality, safe AI, social science, automatic scientific discovery, human computer interaction (HCI), crowdsourcing, machine teaching, and AI ethics. This symposium is designed to broadly engage the machine learning community on these topics -- tying together many threads which are deeply related but often considered in isolation. <br><br>For example, we may build a complex model to predict crime activity. But by interpreting the learned structure of the model, we can gain new insights into the processes driving crime events, enabling us to develop more effective public policy. Moreover, if we learn that the model is making good predictions by discovering how the geometry of clusters of crime events affect future activity, we can use this knowledge to design even more successful predictive models. Similarly, if we wish to make AI systems deployed on self-driving cars safe, straightforward black-box models will not suffice, as we need methods of understanding their rare but costly mistakes.<br><br>The symposium will feature talks and panel discussions. One of the panels will have a moderated debate format where arguments are presented on each side of key topics chosen prior to the symposium, with the opportunity to follow-up each argument with questions. This format will encourage an interactive, lively, and rigorous discussion, working towards the shared goal of making intellectual progress on foundational questions. During the symposium, we will also feature the launch of a new Explainability in Machine Learning Challenge, involving the creation of new benchmarks for motivating the development of interpretable learning algorithms.