NeurIPS 2019 Papers

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

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

Deep generative models (DGMs) have achieved remarkable advances. Semi-supervised variational auto-encoders (SVAE) as a classical DGM offers a principled framework to effective generalize from small labelled data to large unlabelled ones, but it is difficult to incorporate rich unstructured relationships within the multiple heterogeneous entities. In this paper, to deal with the problem, we present a semi-supervised co-embedding model for attributed networks (SCAN) based on the generalized SVAE for the heterogeneous data, which collaboratively learns low- dimensional vector representations of both nodes and attributes for partially labelled attributed networks semi-supervisedly. The node and attribute embeddings obtained in a unified manner by our SCAN can benefit not only for capturing the proximities between nodes but also the affinities between nodes and attributes. Moreover, our model also trains a discriminative network to learn the label predictive distribution of nodes. Experimental results on real-world networks demonstrate that our model yields excellent performance in a number of applications such as attribute inference, user profiling and node classification compared to the state-of-the-art baselines.

We theoretically study the landscape of the training error for neural networks in overparameterized cases. We consider three basic methods for embedding a network into a wider one with more hidden units, and discuss whether a minimum point of the narrower network gives a minimum or saddle point of the wider one. Our results show that the networks with smooth and ReLU activation have different partially flat landscapes around the embedded point. We also relate these results to a difference of their generalization abilities in overparameterized realization.

We consider off-policy evaluation and optimization with continuous action spaces. We focus on observational data where the data collection policy is unknown and needs to be estimated from data. We take a semi-parametric approach where the value function takes a known parametric form in the treatment, but we are agnostic on how it depends on the observed contexts. We propose a doubly robust off-policy estimate for this setting and show that off-policy optimization based on this doubly robust estimate is robust to estimation errors of the policy function or the regression model. We also show that the variance of our off-policy estimate achieves the semi-parametric efficiency bound. Our results also apply if the model does not satisfy our semi-parametric form but rather we measure regret in terms of the best projection of the true value function to this functional space. Our work extends prior approaches of policy optimization from observational data that only considered discrete actions. We provide an experimental evaluation of our method in a synthetic data example motivated by optimal personalized pricing.

Motivated by the application of real-time pricing in e-commerce platforms, we consider the problem of revenue-maximization in a setting where the seller can leverage contextual information describing the customer's history and the product's type to predict her valuation of the product. However, her true valuation is unobservable to the seller, only binary outcome in the form of success-failure of a transaction is observed. Unlike in usual contextual bandit settings, the optimal price/arm given a covariate in our setting is sensitive to the detailed characteristics of the residual uncertainty distribution. We develop a semi-parametric model in which the residual distribution is non-parametric and provide the first algorithm which learns both regression parameters and residual distribution with $\tilde O(\sqrt{n})$ regret. We empirically test a scalable implementation of our algorithm and observe good performance.

Semi-implicit graph variational auto-encoder (SIG-VAE) is proposed to expand the flexibility of variational graph auto-encoders (VGAE) to model graph data. SIG-VAE employs a hierarchical variational framework to enable neighboring node sharing for better generative modeling of graph dependency structure, together with a Bernoulli-Poisson link decoder. Not only does this hierarchical construction provide a more flexible generative graph model to better capture real-world graph properties, but also does SIG-VAE naturally lead to semi-implicit hierarchical variational inference that allows faithful modeling of implicit posteriors of given graph data, which may exhibit heavy tails, multiple modes, skewness, and rich dependency structures. SIG-VAE integrates a carefully designed generative model, well suited to model real-world sparse graphs, and a sophisticated variational inference network, which propagates the graph structural information and distribution uncertainty to capture complex posteriors. SIG-VAE clearly outperforms a simple combination of VGAE with variational inference, including semi-implicit variational inference~(SIVI) or normalizing flow (NF), which does not propagate uncertainty in its inference network, and provides more interpretable latent representations than VGAE does. Extensive experiments with a variety of graph data show that SIG-VAE significantly outperforms state-of-the-art methods on several different graph analytic tasks.

Zero-shot learning extends the conventional object classification to the unseen class recognition by introducing semantic representations of classes. Existing approaches predominantly focus on learning the proper mapping function for visual-semantic embedding, while neglecting the effect of learning discriminative visual features. In this paper, we study the significance of the discriminative region localization. We propose a semantic-guided multi-attention localization model, which automatically discovers the most discriminative parts of objects for zero-shot learning without any human annotations. Our model jointly learns cooperative global and local features from the whole object as well as the detected parts to categorize objects based on semantic descriptions. Moreover, with the joint supervision of embedding softmax loss and class-center triplet loss, the model is encouraged to learn features with high inter-class dispersion and intra-class compactness. Through comprehensive experiments on three widely used zero-shot learning benchmarks, we show the efficacy of the multi-attention localization and our proposed approach improves the state-of-the-art results by a considerable margin.

Temporal sentence grounding in videos aims to detect and localize one target video segment, which semantically corresponds to a given sentence. Existing methods mainly tackle this task via matching and aligning semantics between a sentence and candidate video segments, while neglect the fact that the sentence information plays an important role in temporally correlating and composing the described contents in videos. In this paper, we propose a novel semantic conditioned dynamic modulation (SCDM) mechanism, which relies on the sentence semantics to modulate the temporal convolution operations for better correlating and composing the sentence related video contents over time. More importantly, the proposed SCDM performs dynamically with respect to the diverse video contents so as to establish a more precise matching relationship between sentence and video, thereby improving the temporal grounding accuracy. Extensive experiments on three public datasets demonstrate that our proposed model outperforms the state-of-the-arts with clear margins, illustrating the ability of SCDM to better associate and localize relevant video contents for temporal sentence grounding. Our code for this paper is available at https://github.com/yytzsy/SCDM.

Self-supervised (SS) learning is a powerful approach for representation learning using unlabeled data. Recently, it has been applied to Generative Adversarial Networks (GAN) training. Specifically, SS tasks were proposed to address the catastrophic forgetting issue in the GAN discriminator. In this work, we perform an in-depth analysis to understand how SS tasks interact with learning of generator. From the analysis, we identify issues of SS tasks which allow a severely mode-collapsed generator to excel the SS tasks. To address the issues, we propose new SS tasks based on a multi-class minimax game. The competition between our proposed SS tasks in the game encourages the generator to learn the data distribution and generate diverse samples. We provide both theoretical and empirical analysis to support that our proposed SS tasks have better convergence property. We conduct experiments to incorporate our proposed SS tasks into two different GAN baseline models. Our approach establishes state-of-the-art FID scores on CIFAR-10, CIFAR-100, STL-10, CelebA, Imagenet $32\times32$ and Stacked-MNIST datasets, outperforming existing works by considerable margins in some cases. Our unconditional GAN model approaches performance of conditional GAN without using labeled data. Our code: \url{https://github.com/tntrung/msgan}

Sequential modelling with self-attention has achieved cutting edge performances in natural language processing. With advantages in model flexibility, computation complexity and interpretability, self-attention is gradually becoming a key component in event sequence models. However, like most other sequence models, self-attention does not account for the time span between events and thus captures sequential signals rather than temporal patterns. Without relying on recurrent network structures, self-attention recognizes event orderings via positional encoding. To bridge the gap between modelling time-independent and time-dependent event sequence, we introduce a functional feature map that embeds time span into high-dimensional spaces. By constructing the associated translation-invariant time kernel function, we reveal the functional forms of the feature map under classic functional function analysis results, namely Bochner's Theorem and Mercer's Theorem. We propose several models to learn the functional time representation and the interactions with event representation. These methods are evaluated on real-world datasets under various continuous-time event sequence prediction tasks. The experiments reveal that the proposed methods compare favorably to baseline models while also capture useful time-event interactions.

Learning with auxiliary tasks can improve the ability of a primary task to generalise. However, this comes at the cost of manually labelling auxiliary data. We propose a new method which automatically learns appropriate labels for an auxiliary task, such that any supervised learning task can be improved without requiring access to any further data. The approach is to train two neural networks: a label-generation network to predict the auxiliary labels, and a multi-task network to train the primary task alongside the auxiliary task. The loss for the label-generation network incorporates the loss of the multi-task network, and so this interaction between the two networks can be seen as a form of meta learning with a double gradient. We show that our proposed method, Meta AuXiliary Learning (MAXL), outperforms single-task learning on 7 image datasets, without requiring any additional data. We also show that MAXL outperforms several other baselines for generating auxiliary labels, and is even competitive when compared with human-defined auxiliary labels. The self-supervised nature of our method leads to a promising new direction towards automated generalisation. Source code can be found at \url{https://github.com/lorenmt/maxl}.

Point clouds provide a flexible and natural representation usable in countless applications such as robotics or self-driving cars. Recently, deep neural networks operating on raw point cloud data have shown promising results on supervised learning tasks such as object classification and semantic segmentation. While massive point cloud datasets can be captured using modern scanning technology, manually labelling such large 3D point clouds for supervised learning tasks is a cumbersome process. This necessitates methods that can learn from unlabelled data to significantly reduce the number of annotated samples needed in supervised learning. We propose a self-supervised learning task for deep learning on raw point cloud data in which a neural network is trained to reconstruct point clouds whose parts have been randomly rearranged. While solving this task, representations that capture semantic properties of the point cloud are learned. Our method is agnostic of network architecture and outperforms current unsupervised learning approaches in downstream object classification tasks. We show experimentally, that pre-training with our method before supervised training improves the performance of state-of-the-art models and significantly improves sample efficiency.

Capsule networks have recently gained a great deal of interest as a new architecture of neural networks that can be more robust to input perturbations than similar-sized CNNs. Capsule networks have two major distinctions from the conventional CNNs: (i) each layer consists of a set of capsules that specialize in disjoint regions of the feature space and (ii) the routing-by-agreement coordinates connections between adjacent capsule layers. Although the routing-by-agreement is capable of filtering out noisy predictions of capsules by dynamically adjusting their influences, its unsupervised clustering nature causes two weaknesses: (i) high computational complexity and (ii) cluster assumption that may not hold in presence of heavy input noise. In this work, we propose a novel and surprisingly simple routing strategy called self-routing where each capsule is routed independently by its subordinate routing network. Therefore, the agreement between capsules is not required anymore but both poses and activations of upper-level capsules are obtained in a way similar to Mixture-of-Experts. Our experiments on CIFAR-10, SVHN and SmallNORB show that the self-routing performs more robustly against white-box adversarial attacks and affine transformations, requiring less computation.

Visual Question Answering (VQA) deep-learning systems tend to capture superficial statistical correlations in the training data because of strong language priors and fail to generalize to test data with a significantly different question-answer (QA) distribution. To address this issue, we introduce a self-critical training objective that ensures that visual explanations of correct answers match the most influential image regions more than other competitive answer candidates. The influential regions are either determined from human visual/textual explanations or automatically from just significant words in the question and answer. We evaluate our approach on the VQA generalization task using the VQA-CP dataset, achieving a new state-of-the-art i.e. 49.5\% using textual explanations and 48.5\% using automatically

Sparse subspace clustering (SSC) represents each data point as a sparse linear combination of other data points in the dataset. In the representation learning step SSC finds a lower dimensional representation of data points, while in the spectral clustering step data points are clustered according to the underlying subspaces. However, both steps suffer from high computational and memory complexity, preventing the application of SSC to large-scale datasets. To overcome this limitation, we introduce Selective Sampling-based Scalable Sparse Subspace Clustering (S5C) algorithm which selects subsamples based on the approximated subgradients and linearly scales with the number of data points in terms of time and memory requirements. Along with the computational advantages, we derive theoretical guarantees for the correctness of S5C. Our theoretical result presents novel contribution for SSC in the case of limited number of subsamples. Extensive experimental results demonstrate effectiveness of our approach.

Many manifold embedding algorithms fail apparently when the data manifold has a large aspect ratio (such as a long, thin strip). Here, we formulate success and failure in terms of finding a smooth embedding, showing also that the problem is pervasive and more complex than previously recognized. Mathematically, success is possible under very broad conditions, provided that embedding is done by carefully selected eigenfunctions of the Laplace-Beltrami operator $\Delta_\M$. Hence, we propose a bicriterial Independent Eigencoordinate Selection (IES) algorithm that selects smooth embeddings with few eigenvectors. The algorithm is grounded in theory, has low computational overhead, and is successful on synthetic and large real data.

We propose a constraint-based causal feature selection method for identifying causes of a given target variable, selecting from a set of candidate variables, while there can also be hidden variables acting as common causes with the target. We prove that if we observe a cause for each candidate cause, then a single conditional independence test with one conditioning variable is sufficient to decide whether a candidate associated with the target is indeed causing it. We thus improve upon existing methods by significantly simplifying statistical testing and requiring a weaker version of causal faithfulness. Our main assumption is inspired by neuroscience paradigms where the activity of a single neuron is considered to be also caused by its own previous state. We demonstrate successful application of our method to simulated, as well as encephalographic data of twenty-one participants, recorded in Max Planck Institute for intelligent Systems. The detected causes of motor performance are in accordance with the latest consensus about the neurophysiological pathways, and can provide new insights into personalised brain stimulation.

This paper develops a prediction-based prescriptive model for optimal decision making that (i) predicts the outcome under each action using a robust nonlinear model, and (ii) adopts a randomized prescriptive policy determined by the predicted outcomes. The predictive model combines a new regularized regression technique, which was developed using Distributionally Robust Optimization (DRO) with an ambiguity set constructed from the Wasserstein metric, with the K-Nearest Neighbors (K-NN) regression, which helps to capture the nonlinearity embedded in the data. We show theoretical results that guarantee the out-of-sample performance of the predictive model, and prove the optimality of the randomized policy in terms of the expected true future outcome. We demonstrate the proposed methodology on a hypertension dataset, showing that our prescribed treatment leads to a larger reduction in the systolic blood pressure compared to a series of alternatives. A clinically meaningful threshold level used to activate the randomized policy is also derived under a sub-Gaussian assumption on the predicted outcome.