DeepNLP/NIPS-2020-Accepted-Papers huggingface dataset:
Principal Neighbourhood Aggregation for Graph Nets
Authors: Gabriele Corso, Luca Cavalleri, Dominique Beaini, Pietro Liò, Petar Veličković

Abstract: Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features---which occur regularly in real-world input domains and within the hidden layers of GNNs---and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.
Reliable Graph Neural Networks via Robust Aggregation
Authors: Simon Geisler, Daniel Zügner, Stephan Günnemann

Abstract: Perturbations targeting the graph structure have proven to be extremely effective in reducing the performance of Graph Neural Networks (GNNs), and traditional defenses such as adversarial training do not seem to be able to improve robustness. This work is motivated by the observation that adversarially injected edges effectively can be viewed as additional samples to a node's neighborhood aggregation function, which results in distorted aggregations accumulating over the layers. Conventional GNN aggregation functions, such as a sum or mean, can be distorted arbitrarily by a single outlier. We propose a robust aggregation function motivated by the field of robust statistics. Our approach exhibits the largest possible breakdown point of 0.5, which means that the bias of the aggregation is bounded as long as the fraction of adversarial edges of a node is less than 50%. Our novel aggregation function, Soft Medoid, is a fully differentiable generalization of the Medoid and therefore lends itself well for end-to-end deep learning. Equipping a GNN with our aggregation improves the robustness with respect to structure perturbations on Cora ML by a factor of 3 (and 5.5 on Citeseer) and by a factor of 8 for low-degree nodes.
Instance Selection for GANs
Authors: Terrance DeVries, Michal Drozdzal, Graham W. Taylor

Abstract: Recent advances in Generative Adversarial Networks (GANs) have led to their widespread adoption for the purposes of generating high quality synthetic imagery. While capable of generating photo-realistic images, these models often produce unrealistic samples which fall outside of the data manifold. Several recently proposed techniques attempt to avoid spurious samples, either by rejecting them after generation, or by truncating the model's latent space. While effective, these methods are inefficient, as a large fraction of training time and model capacity are dedicated towards samples that will ultimately go unused. In this work we propose a novel approach to improve sample quality: altering the training dataset via instance selection before model training has taken place. By refining the empirical data distribution before training, we redirect model capacity towards high-density regions, which ultimately improves sample fidelity, lowers model capacity requirements, and significantly reduces training time. Code is available at https://github.com/uoguelph-mlrg/instanceselectionfor_gans.
Linear Disentangled Representations and Unsupervised Action Estimation
Authors: Matthew Painter, Adam Prugel-Bennett, Jonathon Hare

Abstract: Disentangled representation learning has seen a surge in interest over recent times, generally focusing on new models which optimise one of many disparate disentanglement metrics. Symmetry Based Disentangled Representation learning introduced a robust mathematical framework that defined precisely what is meant by a ``linear disentangled representation''. This framework determined that such representations would depend on a particular decomposition of the symmetry group acting on the data, showing that actions would manifest through irreducible group representations acting on independent representational subspaces. \citet{forwardvae} subsequently proposed the first model to induce and demonstrate a linear disentangled representation in a VAE model. In this work we empirically show that linear disentangled representations are not present in standard VAE models and that they instead require altering the loss landscape to induce them. We proceed to show that such representations are a desirable property with regard to classical disentanglement metrics. Finally we propose a method to induce irreducible representations which forgoes the need for labelled action sequences, as was required by prior work. We explore a number of properties of this method, including the ability to learn from action sequences without knowledge of intermediate states and robustness under visual noise. We also demonstrate that it can successfully learn 4 independent symmetries directly from pixels.
Video Frame Interpolation without Temporal Priors
Authors: Youjian Zhang, Chaoyue Wang, Dacheng Tao

Abstract: Video frame interpolation, which aims to synthesize non-exist intermediate frames in a video sequence, is an important research topic in computer vision. Existing video frame interpolation methods have achieved remarkable results under specific assumptions, such as instant or known exposure time. However, in complicated real-world situations, the temporal priors of videos, i.e. frames per second (FPS) and frame exposure time, may vary from different camera sensors. When test videos are taken under different exposure settings from training ones, the interpolated frames will suffer significant misalignment problems. In this work, we solve the video frame interpolation problem in a general situation, where input frames can be acquired under uncertain exposure (and interval) time. Unlike previous methods that can only be applied to a specific temporal prior, we derive a general curvilinear motion trajectory formula from four consecutive sharp frames or two consecutive blurry frames without temporal priors. Moreover, utilizing constraints within adjacent motion trajectories, we devise a novel optical flow refinement strategy for better interpolation results. Finally, experiments demonstrate that one well-trained model is enough for synthesizing high-quality slow-motion videos under complicated real-world situations. Codes are available on https://github.com/yjzhang96/UTI-VFI.
Learning compositional functions via multiplicative weight updates
Authors: Jeremy Bernstein, Jiawei Zhao, Markus Meister, Ming-Yu Liu, Anima Anandkumar, Yisong Yue

Abstract: Compositionality is a basic structural feature of both biological and artificial neural networks. Learning compositional functions via gradient descent incurs well known problems like vanishing and exploding gradients, making careful learning rate tuning essential for real-world applications. This paper proves that multiplicative weight updates satisfy a descent lemma tailored to compositional functions. Based on this lemma, we derive Madam---a multiplicative version of the Adam optimiser---and show that it can train state of the art neural network architectures without learning rate tuning. We further show that Madam is easily adapted to train natively compressed neural networks by representing their weights in a logarithmic number system. We conclude by drawing connections between multiplicative weight updates and recent findings about synapses in biology.
Sample Complexity of Uniform Convergence for Multicalibration
Authors: Eliran Shabat, Lee Cohen, Yishay Mansour

Abstract: There is a growing interest in societal concerns in machine learning systems,
especially in fairness.
Multicalibration gives a comprehensive methodology to address group fairness.
In this work, we address the multicalibration error and decouple it from the prediction error. The importance of decoupling the fairness metric (multicalibration) and the accuracy (prediction error) is due to the inherent trade-off between the two, and the societal decision regarding the ``right tradeoff'' (as imposed many times by regulators).
Our work gives sample complexity bounds for uniform convergence guarantees of multicalibration error, which implies that regardless of the accuracy, we can guarantee that the empirical and (true) multicalibration errors are close.
We emphasize that our results: (1) are more general than previous bounds, as they apply to both agnostic and realizable settings, and do not rely on a specific type of algorithm (such as differentially private), (2) improve over previous multicalibration sample complexity bounds and (3) implies uniform convergence guarantees for the classical calibration error.
Differentiable Neural Architecture Search in Equivalent Space with Exploration Enhancement
Authors: Miao Zhang, Huiqi Li, Shirui Pan, Xiaojun Chang, Zongyuan Ge, Steven Su

Abstract: Recent works on One-Shot Neural Architecture Search (NAS) mostly adopt a bilevel optimization scheme to alternatively optimize the supernet weights and architecture parameters after relaxing the discrete search space into a differentiable space. However, the non-negligible incongruence in their relaxation methods is hard to guarantee the differentiable optimization in the continuous space is equivalent to the optimization in the discrete space. Differently, this paper utilizes a variational graph autoencoder to injectively transform the discrete architecture space into an equivalently continuous latent space, to resolve the incongruence. A probabilistic exploration enhancement method is accordingly devised to encourage intelligent exploration during the architecture search in the latent space, to avoid local optimal in architecture search. As the catastrophic forgetting in differentiable One-Shot NAS deteriorates supernet predictive ability and makes the bilevel optimization inefficient,  this paper further proposes an architecture complementation method to relieve this deficiency. We analyze the effectiveness of the proposed method, and a series of experiments have been conducted to compare the proposed method with state-of-the-art One-Shot NAS methods.
The interplay between randomness and structure during learning in RNNs
Authors: Friedrich Schuessler, Francesca Mastrogiuseppe, Alexis Dubreuil, Srdjan Ostojic, Omri Barak

Abstract: Training recurrent neural networks (RNNs) on low-dimensional tasks has been widely used to model functional biological networks. However, the solutions found by learning and the effect of initial connectivity are not well understood. Here, we examine RNNs trained using gradient descent on different tasks inspired by the neuroscience literature. We find that the changes in recurrent connectivity can be described by low-rank matrices. This observation holds even in the presence of random initial connectivity, although this initial connectivity has full rank and significantly accelerates training. To understand the origin of these observations, we turn to an analytically tractable setting: training a linear RNN on a simpler task. We show how the low-dimensional task structure leads to low-rank changes to connectivity, and how random initial connectivity facilitates learning. Altogether, our study opens a new perspective to understand learning in RNNs in light of low-rank connectivity changes and the synergistic role of random initialization.
A Generalized Neural Tangent Kernel Analysis for Two-layer Neural Networks
Authors: Zixiang Chen, Yuan Cao, Quanquan Gu, Tong Zhang

Abstract: A recent breakthrough in deep learning theory shows that the training of over-parameterized deep neural networks can be characterized by a kernel function called \textit{neural tangent kernel} (NTK). However, it is known that this type of results does not perfectly match the practice, as NTK-based analysis requires the network weights to stay very close to their initialization throughout training, and cannot handle regularizers or gradient noises. In this paper, we provide a generalized neural tangent kernel analysis and show that noisy gradient descent with weight decay can still exhibit a ``kernel-like'' behavior. This implies that the training loss converges linearly up to a certain accuracy. We also establish a novel generalization error bound for two-layer neural networks trained by noisy gradient descent with weight decay.
Instance-wise Feature Grouping
Authors: Aria Masoomi, Chieh Wu, Tingting Zhao, Zifeng Wang, Peter Castaldi, Jennifer Dy

Abstract: In many learning problems, the domain scientist is often interested in discovering the groups of features that are redundant and are important for classification.  Moreover, the features that belong to each group, and the important feature groups may vary per sample.  But what do we mean by feature redundancy?  In this paper, we formally define two types of redundancies using information theory:  \textit{Representation} and \textit{Relevant redundancies}.  We leverage these redundancies to design a formulation for instance-wise feature group discovery and reveal a theoretical guideline to help discover the appropriate number of groups.  We approximate mutual information via a variational lower bound and learn the feature group and selector indicators with Gumbel-Softmax in optimizing our formulation. Experiments on synthetic data validate our theoretical claims. Experiments on MNIST, Fashion MNIST, and gene expression datasets show that our method discovers feature groups with high classification accuracies.
Robust Disentanglement of a Few Factors at a Time using rPU-VAE
Authors: Benjamin Estermann, Markus Marks, Mehmet Fatih Yanik

Abstract: Disentanglement  is  at  the  forefront  of  unsupervised  learning,  as  disentangled representations of data improve generalization, interpretability, and performance in downstream tasks.  Current unsupervised approaches remain inapplicable for real-world datasets since they are highly variable in their performance and fail to reach levels of disentanglement of (semi-)supervised approaches. We introduce population-based training (PBT) for improving consistency in training variational autoencoders (VAEs) and demonstrate the validity of this approach in a supervised setting (PBT-VAE). We then use Unsupervised Disentanglement Ranking (UDR) as an unsupervised heuristic to score models in our PBT-VAE training and show how models trained this way tend to consistently disentangle only a subset of the generative factors. Building on top of this observation we introduce the recursive rPU-VAE approach. We train the model until convergence, remove the learned factors from the dataset and reiterate.  In doing so, we can label subsets of the dataset with the learned factors and consecutively use these labels to train one model that fully disentangles the whole dataset.  With this approach, we show striking improvement in state-of-the-art unsupervised disentanglement performance and robustness across multiple datasets and metrics.
PC-PG: Policy Cover Directed Exploration for Provable Policy Gradient Learning
Authors: Alekh Agarwal, Mikael Henaff, Sham Kakade, Wen Sun

Abstract: Direct policy gradient methods for reinforcement learning are a successful approach for a variety of reasons: they are model free, they directly optimize the performance metric of interest, and they allow for richly parameterized policies. Their primary drawback is that, by being local in nature, they fail to adequately explore the environment. In contrast, while model-based approaches and Q-learning can, at least in theory, directly handle exploration through the use of optimism, their ability to handle model misspecification and function approximation is far less evident. This work introduces the the POLICY COVER GUIDED POLICY GRADIENT (PC- PG) algorithm, which provably balances the exploration vs. exploitation tradeoff using an ensemble of learned policies (the policy cover). PC-PG enjoys polynomial sample complexity and run time for both tabular MDPs and, more generally, linear MDPs in an infinite dimensional RKHS. Furthermore, PC-PG also has strong guarantees under model misspecification that go beyond the standard worst case L infinity assumptions; these include approximation guarantees for state aggregation under an average case error assumption, along with guarantees under a more general assumption where the approximation error under distribution shift is controlled. We complement the theory with empirical evaluation across a variety of domains in both reward-free and reward-driven settings.
Group Contextual Encoding for 3D Point Clouds
Authors: Xu Liu, Chengtao Li, Jian Wang, Jingbo Wang, Boxin Shi, Xiaodong He

Abstract: Global context is crucial for 3D point cloud scene understanding tasks. In this work, we extended the contextual encoding layer that was originally designed for 2D tasks to 3D Point Cloud scenarios.  The encoding layer learns a set of code words in the feature space of the 3D point cloud to characterize the global semantic context, and then based on these code words, the method learns a global contextual descriptor to reweight the featuremaps accordingly. Moreover, compared to 2D scenarios, data sparsity becomes a major issue in 3D point cloud scenarios, and the performance of contextual encoding quickly saturates when the number of code words increases. To mitigate this problem, we further proposed a group contextual encoding method, which divides the channel into groups and then performs encoding on group-divided feature vectors. This method facilitates learning of global context in grouped subspace for 3D point clouds. We evaluate the effectiveness and generalizability of our method on three widely-studied 3D point cloud tasks. Experimental results have shown that the proposed method outperformed the VoteNet  remarkably with 3 mAP on the benchmark of SUN-RGBD, with the metrics of mAP@ 0.25, and a much greater margin of 6.57 mAP on  ScanNet   with the metrics of  mAP@ 0.5. Compared to the baseline of PointNet++,  the proposed method leads to an accuracy of 86 %, outperforming the baseline by 1.5 %. Our proposed method have outperformed the non-grouping baseline methods across the board  and establishes new state-of-the-art on these benchmarks.
Latent Bandits Revisited
Authors: Joey Hong, Branislav Kveton, Manzil Zaheer, Yinlam Chow, Amr Ahmed, Craig Boutilier

Abstract: A latent bandit is a bandit problem where the learning agent knows reward distributions of arms conditioned on an unknown discrete latent state. The goal of the agent is to identify the latent state, after which it can act optimally. This setting is a natural midpoint between online and offline learning, where complex models can be learned offline and the agent identifies the latent state online. This is of high practical relevance, for instance in recommender systems. In this work, we propose general algorithms for latent bandits, based on both upper confidence bounds and Thompson sampling. The algorithms are contextual, and aware of model uncertainty and misspecification. We provide a unified theoretical analysis of our algorithms, which have lower regret than classic bandit policies when the number of latent states is smaller than actions. A comprehensive empirical study showcases the advantages of our approach.
Is normalization indispensable for training deep neural network? 
Authors: Jie Shao, Kai Hu, Changhu Wang, Xiangyang Xue, Bhiksha Raj

Abstract: Normalization operations are widely used to train deep neural networks, and they can improve both convergence and generalization in most tasks. The theories for normalization's effectiveness and new forms of normalization have always been hot topics in research. To better understand normalization, one question can be whether normalization is indispensable for training deep neural network? In this paper, we study what would happen when normalization layers are removed from the network, and show how to train deep neural networks without normalization layers and without performance degradation. Our proposed method can achieve the same or even slightly better performance in a variety of tasks: image classification in ImageNet, object detection and segmentation in MS-COCO, video classification in Kinetics, and machine translation in WMT English-German, etc. Our study may help better understand the role of normalization layers and can be a competitive alternative to normalization layers. Codes are available.
Intra Order-preserving Functions for Calibration of Multi-Class Neural Networks
Authors: Amir Rahimi, Amirreza Shaban, Ching-An Cheng, Richard Hartley, Byron Boots

Abstract: Predicting calibrated confidence scores for multi-class deep networks is important for avoiding rare but costly mistakes. A common approach is to learn a post-hoc calibration function that transforms the output of the original network into calibrated confidence scores while maintaining the network's accuracy. However, previous post-hoc calibration techniques work only with simple calibration functions, potentially lacking sufficient representation to calibrate the complex function landscape of deep networks. In this work, we aim to learn general post-hoc calibration functions that can preserve the top-k predictions of any deep network. We call this family of functions intra order-preserving functions. We propose a new neural network architecture that represents a class of intra order-preserving functions by combining common neural network components. Additionally, we introduce order-invariant and diagonal sub-families, which can act as regularization for better generalization when the training data size is small. We show the effectiveness of the proposed method across a wide range of datasets and classifiers. Our method outperforms state-of-the-art post-hoc calibration methods, namely temperature scaling and Dirichlet calibration, in several evaluation metrics for the task.
Linear Time Sinkhorn Divergences using Positive Features
Authors: Meyer Scetbon, Marco Cuturi

Abstract: Although Sinkhorn divergences are now routinely used in data sciences to compare probability distributions, the computational effort required to compute them remains expensive, growing in general quadratically in the size $n$ of the support of these distributions. Indeed, solving optimal transport (OT) with an entropic regularization requires computing a $n\times n$ kernel matrix (the neg-exponential of a $n\times n$ pairwise ground cost matrix) that is repeatedly applied to a vector. We propose to use instead ground costs of the form $c(x,y)=-\log\dotp{\varphi(x)}{\varphi(y)}$ where $\varphi$ is a map from the ground space onto the positive orthant $\RR^r_+$, with $r\ll n$. This choice yields, equivalently, a kernel $k(x,y)=\dotp{\varphi(x)}{\varphi(y)}$, and ensures that the cost of Sinkhorn iterations scales as $O(nr)$. We show that usual cost functions can be approximated using this form. Additionaly, we take advantage of the fact that our approach yields approximation that remain fully differentiable with respect to input distributions, as opposed to previously proposed adaptive low-rank approximations of the kernel matrix, to train a faster variant of OT-GAN~\cite{salimans2018improving}.