DeepNLP/NIPS-2020-Accepted-Papers huggingface dataset:
Bridging the Gap between Sample-based and One-shot Neural Architecture Search with BONAS
Authors: Han Shi, Renjie Pi, Hang Xu, Zhenguo Li, James Kwok, Tong Zhang

Abstract: Neural Architecture Search (NAS) has shown great potentials in finding better neural network designs. Sample-based NAS is the most reliable approach which aims at exploring the search space and evaluating the most promising architectures. However, it is computationally very costly.  As a remedy, the one-shot approach has emerged as a popular technique for accelerating NAS using weight-sharing. However, due to the weight-sharing of vastly different networks, the one-shot approach is less reliable than the sample-based approach. In this work, we propose BONAS (Bayesian Optimized Neural Architecture Search), a sample-based NAS framework which is accelerated using weight-sharing to evaluate multiple related architectures simultaneously. Specifically, we apply Graph Convolutional Network predictor as a surrogate model for Bayesian Optimization to select multiple related candidate models in each iteration. We then apply weight-sharing to train multiple candidate models simultaneously. This approach not only accelerates the traditional sample-based approach significantly, but also keeps its reliability. This is because weight-sharing among related architectures are more reliable than those in the one-shot approach. Extensive experiments are conducted to verify the effectiveness of our method over many competing algorithms.
On Numerosity of Deep Neural Networks
Authors: Xi Zhang, Xiaolin Wu

Abstract: Recently, a provocative claim was published that number sense spontaneously emerges in a deep neural network trained merely for visual object recognition.  This has, if true, far reaching significance to the fields of machine learning and cognitive science alike.  In this paper, we prove the above claim to be unfortunately incorrect.  The statistical analysis to support the claim is flawed in that the sample set used to identify number-aware neurons is too small, compared to the huge number of neurons in the object recognition network.  By this flawed analysis one could mistakenly identify number-sensing neurons in any randomly initialized deep neural networks that are not trained at all.  With the above critique we ask the question what if a deep convolutional neural network is carefully trained for numerosity?  Our findings are mixed.  Even after being trained with number-depicting images, the deep learning approach still has difficulties to acquire the abstract concept of numbers, a cognitive task that preschoolers perform with ease. But on the other hand, we do find some encouraging evidences suggesting that deep neural networks are more robust to distribution shift for small numbers than for large numbers.
Outlier Robust Mean Estimation with Subgaussian Rates via Stability
Authors: Ilias Diakonikolas, Daniel M. Kane, Ankit Pensia

Abstract: We study the problem of outlier robust high-dimensional mean estimation under a bounded covariance assumption, and more broadly under bounded low-degree moment assumptions. We consider a standard stability condition from the recent robust statistics literature and prove that, except with exponentially small failure probability, there exists a large fraction of the inliers satisfying this condition. As a corollary, it follows that a number of recently developed algorithms for robust mean estimation, including iterative filtering and non-convex gradient descent, give optimal error estimators with (near-)subgaussian rates. Previous analyses of these algorithms gave significantly suboptimal rates. As a corollary of our approach, we obtain the first computationally efficient algorithm for outlier robust mean estimation with subgaussian rates under a bounded covariance assumption.
Self-Supervised Relationship Probing
Authors: Jiuxiang Gu, Jason Kuen, Shafiq Joty, Jianfei Cai, Vlad Morariu, Handong Zhao, Tong Sun

Abstract: Structured representations of images that model visual relationships are beneficial for many vision and vision-language applications. However, current human-annotated visual relationship datasets suffer from the long-tailed predicate distribution problem which limits the potential of visual relationship models. In this work, we introduce a self-supervised method that implicitly learns the visual relationships without relying on any ground-truth visual relationship annotations. Our method relies on 1) intra- and inter-modality encodings to respectively model relationships within each modality separately and jointly, and 2) relationship probing, which seeks to discover the graph structure within each modality. By leveraging masked language modeling, contrastive learning, and dependency tree distances for self-supervision, our method learns better object features as well as implicit visual relationships. We verify the effectiveness of our proposed method on various vision-language tasks that benefit from improved visual relationship understanding.
Information Theoretic Counterfactual Learning from Missing-Not-At-Random Feedback
Authors: Zifeng Wang, Xi Chen, Rui Wen, Shao-Lun Huang, Ercan Kuruoglu, Yefeng Zheng

Abstract: Counterfactual learning for dealing with missing-not-at-random data (MNAR) is an intriguing topic in the recommendation literature, since MNAR data are ubiquitous in modern recommender systems. Instead, missing-at-random (MAR) data, namely randomized controlled trials (RCTs), are usually required by most previous counterfactual learning methods. However, the execution of RCTs is extraordinarily expensive in practice. To circumvent the use of RCTs, we build an information theoretic counterfactual variational information bottleneck (CVIB), as an alternative for debiasing learning without RCTs. By separating the task-aware mutual information term in the original information bottleneck Lagrangian into factual and counterfactual parts, we derive a contrastive information loss and an additional output confidence penalty, which facilitates balanced learning between the factual and counterfactual domains. Empirical evaluation on real-world datasets shows that our CVIB significantly enhances both shallow and deep models, which sheds light on counterfactual learning in recommendation that goes beyond RCTs.
Prophet Attention: Predicting Attention with Future Attention
Authors: Fenglin Liu, Xuancheng Ren, Xian Wu, Shen Ge, Wei Fan, Yuexian Zou, Xu Sun

Abstract: Recently, attention based models have been used extensively in many sequence-to-sequence learning systems. Especially for image captioning, the attention based models are expected to ground correct image regions with proper generated words. However, for each time step in the decoding process, the attention based models usually use the hidden state of the current input to attend to the image regions. Under this setting, these attention models have a deviated focus'' problem that they calculate the attention weights based on previous words instead of the one to be generated, impairing the performance of both grounding and captioning. In this paper, we propose the Prophet Attention, similar to the form of self-supervision. In the training stage, this module utilizes the future information to calculate theideal'' attention weights towards image regions. These calculated ideal'' weights are further used to regularize thedeviated'' attention. In this manner, image regions are grounded with the correct words. The proposed Prophet Attention can be easily incorporated into existing image captioning models to improve their performance of both grounding and captioning. The experiments on the Flickr30k Entities and the MSCOCO datasets show that the proposed Prophet Attention consistently outperforms baselines in both automatic metrics and human evaluations. It is worth noticing that we set new state-of-the-arts on the two benchmark datasets and achieve the 1st place on the leaderboard of the online MSCOCO benchmark in terms of the default ranking score, i.e., CIDEr-c40.
Language Models are Few-Shot Learners
Authors: Tom Brown, Benjamin Mann, Nick Ryder, Melanie Subbiah, Jared D Kaplan, Prafulla Dhariwal, Arvind Neelakantan, Pranav Shyam, Girish Sastry, Amanda Askell, Sandhini Agarwal, Ariel Herbert-Voss, Gretchen Krueger, Tom Henighan, Rewon Child, Aditya Ramesh, Daniel Ziegler, Jeffrey Wu, Clemens Winter, Chris Hesse, Mark Chen, Eric Sigler, Mateusz Litwin, Scott Gray, Benjamin Chess, Jack Clark, Christopher Berner, Sam McCandlish, Alec Radford, Ilya Sutskever, Dario Amodei

Abstract: We demonstrate that scaling up language models greatly improves task-agnostic, few-shot performance, sometimes even becoming competitive with prior state-of-the-art fine-tuning approaches. Specifically, we train GPT-3, an autoregressive language model with 175 billion parameters, 10x more than any previous non-sparse language model, and test its performance in the few-shot setting.  For all tasks, GPT-3 is applied without any gradient updates or fine-tuning, with tasks and few-shot demonstrations specified purely via text interaction with the model.  GPT-3 achieves strong performance on many NLP datasets, including translation, question-answering, and cloze tasks. We also identify some datasets where GPT-3's few-shot learning still struggles, as well as some datasets where GPT-3 faces methodological issues related to training on large web corpora.
Margins are Insufficient for Explaining Gradient Boosting
Authors: Allan Grønlund, Lior Kamma, Kasper Green Larsen

Abstract: Boosting is one of the most successful ideas in machine learning, achieving great practical performance with little fine-tuning. The success of boosted classifiers is most often attributed to improvements in margins. The focus on margin explanations was pioneered in the seminal work by Schaphire et al. (1998) and has culminated in the $k$'th margin generalization bound by Gao and Zhou (2013), which was recently proved to be near-tight for some data distributions (Gr\o nlund et al. 2019). In this work, we first demonstrate that the $k$'th margin bound is inadequate in explaining the performance of state-of-the-art gradient boosters. We then explain the short comings of the $k$'th margin bound and prove a stronger and more refined margin-based generalization bound that indeed succeeds in explaining the performance of modern gradient boosters. Finally, we improve upon the recent generalization lower bound by Gr\o nlund et al. (2019).
Fourier-transform-based attribution priors improve the interpretability and stability of deep learning models for genomics
Authors: Alex Tseng, Avanti Shrikumar, Anshul Kundaje

Abstract: Deep learning models can accurately map genomic DNA sequences to associated functional molecular readouts such as protein-DNA binding data. Base-resolution importance (i.e. "attribution") scores inferred from these models can highlight predictive sequence motifs and syntax. Unfortunately, these models are prone to overfitting and are sensitive to random initializations, often resulting in noisy and irreproducible attributions that obfuscate underlying motifs. To address these shortcomings, we propose a novel attribution prior, where the Fourier transform of input-level attribution scores are computed at training-time, and high-frequency components of the Fourier spectrum are penalized. We evaluate different model architectures with and without our attribution prior, training on genome-wide binary labels or continuous molecular profiles. We show that our attribution prior significantly improves models' stability, interpretability, and performance on held-out data, especially when training data is severely limited. Our attribution prior also allows models to identify biologically meaningful sequence motifs more sensitively and precisely within individual regulatory elements. The prior is agnostic to the model architecture or predicted experimental assay, yet provides similar gains across all experiments. This work represents an important advancement in improving the reliability of deep learning models for deciphering the regulatory code of the genome.
MomentumRNN: Integrating Momentum into Recurrent Neural Networks
Authors: Tan Nguyen, Richard Baraniuk, Andrea Bertozzi, Stanley Osher, Bao Wang

Abstract: Designing deep neural networks is an art that often involves an expensive search over candidate architectures. To overcome this for recurrent neural nets (RNNs), we establish a connection between the hidden state dynamics in an RNN and gradient descent (GD). We then integrate momentum into this framework and propose a new family of RNNs, called {\em MomentumRNNs}. We theoretically prove and numerically demonstrate that MomentumRNNs alleviate the vanishing gradient issue in training RNNs. We study the momentum long-short term memory (MomentumLSTM) and verify its advantages in convergence speed and accuracy over its LSTM counterpart across a variety of benchmarks. We also demonstrate that MomentumRNN is applicable to many types of recurrent cells, including those in the state-of-the-art orthogonal RNNs. Finally, we show that other advanced momentum-based optimization methods, such as Adam and Nesterov accelerated gradients with a restart, can be easily incorporated into the MomentumRNN framework for designing new recurrent cells with even better performance.
Marginal Utility for Planning in Continuous or Large Discrete Action Spaces
Authors: Zaheen Ahmad, Levi Lelis, Michael Bowling

Abstract: Sample-based planning is a powerful family of algorithms for generating intelligent behavior from a model of the environment. Generating good candidate actions is critical to the success of sample-based planners, particularly in continuous or large action spaces. Typically, candidate action generation exhausts the action space, uses domain knowledge, or more recently, involves learning a stochastic policy to provide such search guidance. In this paper we explore explicitly learning a candidate action generator by optimizing a novel objective, marginal utility. The marginal utility of an action generator measures the increase in value of an action over previously generated actions. We validate our approach in both curling, a challenging stochastic domain with continuous state and action spaces, and a location game with a discrete but large action space. We show that a generator trained with the marginal utility objective outperforms hand-coded schemes built on substantial domain knowledge, trained stochastic policies, and other natural objectives for generating actions for sampled-based planners.
Projected Stein Variational Gradient Descent
Authors: Peng Chen, Omar Ghattas

Abstract: The curse of dimensionality is a longstanding challenge in Bayesian
inference in high dimensions. In this work, we propose a {projected
  Stein variational gradient descent} (pSVGD) method to overcome this
challenge by exploiting the fundamental property of intrinsic low
dimensionality of the data informed subspace stemming from
ill-posedness of such problems. We adaptively construct the subspace
using a gradient information matrix of the log-likelihood, and apply
pSVGD to the much lower-dimensional coefficients of the parameter
projection. The method is demonstrated to be more accurate and
efficient than SVGD. It is also shown to be more scalable with respect
to the number of parameters, samples, data points, and processor cores
via experiments with parameters dimensions ranging from the
hundreds to the tens of thousands.
Minimax Lower Bounds for Transfer Learning with Linear and One-hidden Layer Neural Networks
Authors: Mohammadreza Mousavi Kalan, Zalan Fabian, Salman Avestimehr, Mahdi Soltanolkotabi

Abstract: Transfer learning has emerged as a powerful technique for improving the performance of machine learning models on new domains where labeled training data may be scarce. In this approach a model trained for a source task, where plenty of labeled training data is available, is used as a starting point for training a model on a related target task with only few labeled training data. Despite recent empirical success of transfer learning approaches, the benefits and fundamental limits of transfer learning are poorly understood. In this paper we develop a statistical minimax framework to characterize the fundamental limits of transfer learning in the context of regression with linear and one-hidden layer neural network models. Specifically, we derive a lower-bound for the target generalization error achievable by any algorithm as a function of the number of labeled source and target data as well as appropriate notions of similarity between the source and target tasks. Our lower bound provides new insights into the benefits and limitations of transfer learning. We further corroborate our theoretical finding with various experiments.
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks
Authors: Fabian Fuchs, Daniel Worrall, Volker Fischer, Max Welling

Abstract: We introduce the SE(3)-Transformer, a variant of the self-attention module for 3D point-clouds, which is equivariant under continuous 3D roto-translations. Equivariance is important to ensure stable and predictable performance in the presence of nuisance transformations of the data input. A positive corollary of equivariance is increased weight-tying within the model. The SE(3)-Transformer leverages the benefits of self-attention to operate on large point clouds with varying number of points, while guaranteeing SE(3)-equivariance for robustness. We evaluate our model on a toy N-body particle simulation dataset, showcasing the robustness of the predictions under rotations of the input. We further achieve competitive performance on two real-world datasets, ScanObjectNN and QM9. In all cases, our model outperforms a strong, non-equivariant attention baseline and an equivariant model without attention.
On the equivalence of molecular graph convolution and molecular wave function with poor basis set
Authors: Masashi Tsubaki, Teruyasu Mizoguchi

Abstract: In this study, we demonstrate that the linear combination of atomic orbitals (LCAO), an approximation introduced by Pauling and Lennard-Jones in the 1920s, corresponds to graph convolutional networks (GCNs) for molecules. However, GCNs involve unnecessary nonlinearity and deep architecture. We also verify that molecular GCNs are based on a poor basis function set compared with the standard one used in theoretical calculations or quantum chemical simulations. From these observations, we describe the quantum deep field (QDF), a machine learning (ML) model based on an underlying quantum physics, in particular the density functional theory (DFT). We believe that the QDF model can be easily understood because it can be regarded as a single linear layer GCN. Moreover, it uses two vanilla feedforward neural networks to learn an energy functional and a Hohenberg--Kohn map that have nonlinearities inherent in quantum physics and the DFT. For molecular energy prediction tasks, we demonstrated the viability of an ``extrapolation,'' in which we trained a QDF model with small molecules, tested it with large molecules, and achieved high extrapolation performance. We believe that we should move away from the competition of interpolation accuracy within benchmark datasets and evaluate ML models based on physics using an extrapolation setting; this will lead to reliable and practical applications, such as fast, large-scale molecular screening for discovering effective materials.
The Power of Predictions in Online Control
Authors: Chenkai Yu, Guanya Shi, Soon-Jo Chung, Yisong Yue, Adam Wierman

Abstract: We study the impact of predictions in online Linear Quadratic Regulator control with both stochastic and adversarial disturbances in the dynamics. In both settings, we characterize the optimal policy and derive tight bounds on the minimum cost and dynamic regret. Perhaps surprisingly, our analysis shows that the conventional greedy MPC approach is a near-optimal policy in both stochastic and adversarial settings. Specifically, for length-$T$ problems, MPC requires only $O(\log T)$ predictions to reach $O(1)$ dynamic regret, which matches (up to lower-order terms) our lower bound on the required prediction horizon for constant regret.
Learning Affordance Landscapes for Interaction Exploration in 3D Environments
Authors: Tushar Nagarajan, Kristen Grauman

Abstract: Embodied agents operating in human spaces must be able to master how their environment works: what objects can the agent use, and how can it use them? We introduce a reinforcement learning approach for exploration for interaction, whereby an embodied agent autonomously discovers the affordance landscape of a new unmapped 3D environment (such as an unfamiliar kitchen).  Given an egocentric RGB-D camera and a high-level action space, the agent is rewarded for maximizing successful interactions while simultaneously training an image-based affordance segmentation model.  The former yields a policy for acting efficiently in new environments to prepare for downstream interaction tasks, while the latter yields a convolutional neural network that maps image regions to the likelihood they permit each action, densifying the rewards for exploration.  We demonstrate our idea with AI2-iTHOR.  The results show agents can learn how to use new home environments intelligently and that it prepares them to rapidly address various downstream tasks like "find a knife and put it in the drawer." Project page: http://vision.cs.utexas.edu/projects/interaction-exploration/
Cooperative Multi-player Bandit Optimization 
Authors: Ilai Bistritz, Nicholas Bambos

Abstract: Consider a team of cooperative players that take actions in a networked-environment. At each turn, each player chooses an action and receives a reward that is an unknown function of all the players' actions. The goal of the team of players is to learn to play together the action profile that maximizes the sum of their rewards. However, players cannot observe the actions or rewards of other players, and can only get this information by communicating with their neighbors. We design a distributed learning algorithm that overcomes the informational bias players have towards maximizing the rewards of nearby players they got more information about. We assume twice continuously differentiable reward functions and constrained convex and compact action sets. Our communication graph is a random time-varying graph that follows an ergodic Markov chain. We prove that even if at every turn players take actions based only on the small random subset of the players' rewards that they know, our algorithm converges with probability 1 to the set of stationary points of (projected) gradient ascent on the sum of rewards function. Hence, if the sum of rewards is concave, then the algorithm converges with probability 1 to the optimal action profile.
Tight First- and Second-Order Regret Bounds for Adversarial Linear Bandits
Authors: Shinji Ito, Shuichi Hirahara, Tasuku Soma, Yuichi Yoshida

Abstract: We propose novel algorithms with first- and second-order regret bounds for adversarial linear bandits. These regret bounds imply that our algorithms perform well when there is an action achieving a small cumulative loss or the loss has a small variance. In addition, we need only assumptions weaker than those of existing algorithms; our algorithms work on discrete action sets as well as continuous ones without a priori knowledge about losses, and they run efficiently if a linear optimization oracle for the action set is available. These results are obtained by combining optimistic online optimization, continuous multiplicative weight update methods, and a novel technique that we refer to as distribution truncation. We also show that the regret bounds of our algorithms are tight up to polylogarithmic factors.