nils-herrmann/clean_scirepeval huggingface dataset:
Training GANs with Optimism
Authors: Constantinos Daskalakis, Andrew Ilyas, Vasilis Syrgkanis, Haoyang Zeng

We address the issue of limit cycling behavior in training Generative Adversarial Networks and propose the use of Optimistic Mirror Decent (OMD) for training Wasserstein GANs. Recent theoretical results have shown that optimistic mirror decent (OMD) can enjoy faster regret rates in the context of zero-sum games. WGANs is exactly a context of solving a zero-sum game with simultaneous no-regret dynamics.  Moreover, we show that optimistic mirror decent addresses the limit cycling problem in training WGANs. We formally show that in the case of bi-linear zero-sum games the last iterate of OMD dynamics converges to an equilibrium, in contrast to GD dynamics which are bound to cycle. We also portray the huge qualitative difference between GD and OMD dynamics with toy examples, even when GD is modified with many adaptations proposed in the recent literature, such as gradient penalty or momentum. We apply OMD WGAN training to a bioinformatics problem of generating DNA sequences. We observe that models trained with OMD achieve consistently smaller KL divergence with respect to the true underlying distribution, than models trained with GD variants. Finally, we introduce a new algorithm, Optimistic Adam, which is an optimistic variant of Adam. We apply it to WGAN training on CIFAR10 and observe improved performance in terms of inception score as compared to Adam.
Learning Better Structured Representations Using Low-rank Adaptive Label Smoothing
Authors: Asish Ghoshal, Xilun Chen, Sonal Gupta, Luke Zettlemoyer, Yashar Mehdad

Training with soft targets instead of hard targets has been shown to improve performance and calibration of deep neural networks. Label smoothing is a popular way of computing soft targets, where one-hot encoding of a class is smoothed with a uniform distribution. Owing to its simplicity, label smoothing has found wide-spread use for training deep neural networks on a wide variety of tasks, ranging from image and text classification to machine translation and semantic parsing. Complementing recent empirical justification for label smoothing, we obtain PAC-Bayesian generalization bounds for label smoothing and show that the generalization error depends on the choice of the noise (smoothing) distribution. Then we propose low-rank adaptive label smoothing (LORAS): a simple yet novel method for training with learned soft targets that generalizes label smoothing and adapts to the latent structure of the label space in structured prediction tasks. Specifically, we evaluate our method on semantic parsing tasks and show that training with appropriately smoothed soft targets can significantly improve accuracy and model calibration, especially in low-resource settings. Used in conjunction with pre-trained sequence-to-sequence models, our method achieves state of the art performance on four semantic parsing data sets. LORAS can be used with any model, improves performance and implicit model calibration  without increasing the number of model parameters, and can be scaled to problems with large label spaces containing tens of thousands of labels.
Learning Neural Generative Dynamics for Molecular Conformation Generation
Authors: Minkai Xu, Shitong Luo, Yoshua Bengio, Jian Peng, Jian Tang

We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning methods have shown great potential by training on a large collection of conformation data. Challenges arise from the limited model capacity for capturing complex distributions of conformations and the difficulty in modeling long-range dependencies between atoms. Inspired by the recent progress in deep generative models, in this paper, we propose a novel probabilistic framework to generate valid and diverse conformations given a molecular graph. We propose a method combining the advantages of both flow-based and energy-based models, enjoying: (1) a high model capacity to estimate the multimodal conformation distribution; (2) explicitly capturing the complex long-range dependencies between atoms in the observation space. Extensive experiments demonstrate the superior performance of the proposed method on several benchmarks, including conformation generation and distance modeling tasks, with a significant improvement over existing generative models for molecular conformation sampling.
Learning to Adapt in Dynamic, Real-World Environments through Meta-Reinforcement Learning
Authors: Anusha Nagabandi, Ignasi Clavera, Simin Liu, Ronald S. Fearing, Pieter Abbeel, Sergey Levine, Chelsea Finn

Although reinforcement learning methods can achieve impressive results in simulation, the real world presents two major challenges: generating samples is exceedingly expensive, and unexpected perturbations or unseen situations cause proficient but specialized policies to fail at test time. Given that it is impractical to train separate policies to accommodate all situations the agent may see in the real world, this work proposes to learn how to quickly and effectively adapt online to new tasks. To enable sample-efficient learning, we consider learning online adaptation in the context of model-based reinforcement learning. Our approach uses meta-learning to train a dynamics model prior such that, when combined with recent data, this prior can be rapidly adapted to the local context. Our experiments demonstrate online adaptation for continuous control tasks on both simulated and real-world agents. We first show simulated agents adapting their behavior online to novel terrains, crippled body parts, and highly-dynamic environments. We also illustrate the importance of incorporating online adaptation into autonomous agents that operate in the real world by applying our method to a real dynamic legged millirobot: We demonstrate the agent's learned ability to quickly adapt online to a missing leg, adjust to novel terrains and slopes, account for miscalibration or errors in pose estimation, and compensate for pulling payloads.
Primal Wasserstein Imitation Learning
Authors: Robert Dadashi, Leonard Hussenot, Matthieu Geist, Olivier Pietquin

Learning (IL) methods seek to match the behavior of an agent with that of an expert. In the present work, we propose a new IL method based on a conceptually simple algorithm: Primal Wasserstein Imitation Learning (PWIL), which ties to the primal form of the Wasserstein distance between the expert and the agent state-action distributions. We present a reward function which is derived offline, as opposed to recent adversarial IL algorithms that learn a reward function through interactions with the environment, and which requires little fine-tuning. We show that we can recover expert behavior on a variety of continuous control tasks of the MuJoCo domain in a sample efficient manner in terms of agent interactions and of expert interactions with the environment. Finally, we show that the behavior of the agent we train matches the behavior of the expert with the Wasserstein distance, rather than the commonly used proxy of performance.
On the loss landscape of a class of deep neural networks with no bad local valleys
Authors: Quynh Nguyen, Mahesh Chandra Mukkamala, Matthias Hein

We identify a class of over-parameterized deep neural networks with standard activation functions and cross-entropy loss which provably have no bad local valley, in the sense that from any point in parameter space there exists a continuous path on which the cross-entropy loss is non-increasing and gets arbitrarily close to zero. This implies that these networks have no sub-optimal strict local minima.
VCNet and Functional Targeted Regularization For Learning Causal Effects of Continuous Treatments
Authors: Lizhen Nie, Mao Ye, qiang liu, Dan Nicolae

Motivated by the rising abundance of observational data with continuous treatments, we investigate the problem of estimating the average dose-response curve (ADRF). Available parametric methods are limited in their model space, and previous attempts in leveraging neural network to enhance model expressiveness relied on partitioning continuous treatment into blocks and using separate heads for each block; this however produces in practice discontinuous ADRFs. Therefore, the question of how to adapt the structure and training of neural network to estimate ADRFs remains open. This paper makes two important contributions. First, we propose a novel varying coefficient neural network (VCNet) that improves model expressiveness while preserving continuity of the estimated ADRF. Second, to improve finite sample performance, we generalize targeted regularization to obtain a doubly robust estimator of the whole ADRF curve.
An Inductive Bias for Distances: Neural Nets that Respect the Triangle Inequality
Authors: Silviu Pitis, Harris Chan, Kiarash Jamali, Jimmy Ba

Distances are pervasive in machine learning. They serve as similarity measures, loss functions, and learning targets; it is said that a good distance measure solves a task. When defining distances, the triangle inequality has proven to be a useful constraint, both theoretically---to prove convergence and optimality guarantees---and empirically---as an inductive bias. Deep metric learning architectures that respect the triangle inequality rely, almost exclusively, on Euclidean distance in the latent space. Though effective, this fails to model two broad classes of subadditive distances, common in graphs and reinforcement learning: asymmetric metrics, and metrics that cannot be embedded into Euclidean space. To address these problems, we introduce novel architectures that are guaranteed to satisfy the triangle inequality. We prove our architectures universally approximate norm-induced metrics on $\mathbb{R}^n$, and present a similar result for modified Input Convex Neural Networks. We show that our architectures outperform existing metric approaches when modeling graph distances and have a better inductive bias than non-metric approaches when training data is limited in the multi-goal reinforcement learning setting.
Recurrent Independent Mechanisms
Authors: Anirudh Goyal, Alex Lamb, Jordan Hoffmann, Shagun Sodhani, Sergey Levine, Yoshua Bengio, Bernhard Schölkopf

We explore the hypothesis that learning modular structures which reflect the dynamics of the environment can lead to better generalization and robustness to changes that only affect a few of the underlying causes. We propose Recurrent Independent Mechanisms (RIMs), a new recurrent architecture in which multiple groups of recurrent cells operate with nearly independent transition dynamics, communicate only sparingly through the bottleneck of attention, and compete with each other so they are updated only at time steps where they are most relevant.  We show that this leads to specialization amongst the RIMs, which in turn allows for remarkably improved generalization on tasks where some factors of variation differ systematically between training and evaluation.
Boosting Robustness Certification of Neural Networks
Authors: Gagandeep Singh, Timon Gehr, Markus Püschel, Martin Vechev

We present a novel approach for the certification of neural networks against adversarial perturbations which combines scalable overapproximation methods with precise (mixed integer) linear programming. This results in significantly better precision than state-of-the-art verifiers on challenging feedforward and convolutional neural networks with piecewise linear activation functions.
Variational State-Space Models for Localisation and Dense 3D Mapping in 6 DoF
Authors: Atanas Mirchev, Baris Kayalibay, Patrick van der Smagt, Justin Bayer

We solve the problem of 6-DoF localisation and 3D dense reconstruction in spatial environments as approximate Bayesian inference in a deep state-space model. Our approach leverages both learning and domain knowledge from multiple-view geometry and rigid-body dynamics. This results in an expressive predictive model of the world, often missing in current state-of-the-art visual SLAM solutions. The combination of variational inference, neural networks and a differentiable raycaster ensures that our model is amenable to end-to-end gradient-based optimisation. We evaluate our approach on realistic unmanned aerial vehicle flight data, nearing the performance of state-of-the-art visual-inertial odometry systems. We demonstrate the applicability of the model to generative prediction and planning.
Outrageously Large Neural Networks: The Sparsely-Gated Mixture-of-Experts Layer
Authors: Noam Shazeer, *Azalia Mirhoseini, *Krzysztof Maziarz, Andy Davis, Quoc Le, Geoffrey Hinton, Jeff Dean

The capacity of a neural network to absorb information is limited by its number of parameters.  Conditional computation, where parts of the network are active on a per-example basis, has been proposed in theory as a way of dramatically increasing model capacity without a proportional increase in computation.  In practice, however, there are significant algorithmic and performance challenges.  In this work, we address these challenges and finally realize the promise of conditional computation, achieving greater than 1000x improvements in model capacity with only minor losses in computational efficiency on modern GPU clusters.  We introduce a Sparsely-Gated Mixture-of-Experts layer (MoE), consisting of up to thousands of feed-forward sub-networks.  A trainable gating network determines a sparse combination of these experts to use for each example.  We apply the MoE to the tasks of language modeling and machine translation, where model capacity is critical for absorbing the vast quantities of knowledge available in the training corpora.  We present model architectures in which a MoE with up to 137 billion parameters is applied convolutionally between stacked LSTM layers.  On large language modeling and machine translation benchmarks, these models achieve significantly better results than state-of-the-art at lower computational cost.
Paleo: A Performance Model for Deep Neural Networks
Authors: Hang Qi, Evan R. Sparks, Ameet Talwalkar

Although various scalable deep learning software packages have been proposed, it remains unclear how to best leverage parallel and distributed computing infrastructure to accelerate their training and deployment. Moreover, the effectiveness of existing parallel and distributed systems varies widely based on the neural network architecture and dataset under consideration.  In order to efficiently explore the space of scalable deep learning systems and quickly diagnose their effectiveness for a given problem instance, we introduce an analytical performance model called Paleo. Our key observation is that a neural network architecture carries with it a declarative specification of the computational requirements associated with its training and evaluation. By extracting these requirements from a given architecture and mapping them to a specific point within the design space of software, hardware and communication strategies, Paleo can efficiently and accurately model the expected scalability and performance of a putative deep learning system.  We show that Paleo is robust to the choice of network architecture, hardware, software, communication schemes, and parallelization strategies. We further demonstrate its ability to accurately model various recently published scalability results for CNNs such as NiN, Inception and AlexNet.
Learning to Map for Active Semantic Goal Navigation
Authors: Georgios Georgakis, Bernadette Bucher, Karl Schmeckpeper, Siddharth Singh, Kostas Daniilidis

We consider the problem of object goal navigation in unseen environments. Solving this problem requires learning of contextual semantic priors, a challenging endeavour given the spatial and semantic variability of indoor environments. Current methods learn to implicitly encode these priors through goal-oriented navigation policy functions operating on spatial representations that are limited to the agent's observable areas. In this work, we propose a novel framework that actively learns to generate semantic maps outside the field of view of the agent and leverages the uncertainty over the semantic classes in the unobserved areas to decide on long term goals. We demonstrate that through this spatial prediction strategy, we are able to learn semantic priors in scenes that can be leveraged in unknown environments. Additionally, we show how different objectives can be defined by balancing exploration with exploitation during searching for semantic targets. Our method is validated in the visually realistic environments of the Matterport3D dataset and show improved results on object goal navigation over competitive baselines.
Demystifying MMD GANs
Authors: Mikołaj Bińkowski, Danica J. Sutherland, Michael Arbel, Arthur Gretton

We investigate the training and performance of generative adversarial networks using the Maximum Mean Discrepancy (MMD) as critic, termed MMD GANs. As our main theoretical contribution, we clarify the situation with bias in GAN loss functions raised by recent work: we show that gradient estimators used in the optimization process for both MMD GANs and Wasserstein GANs are unbiased, but learning a discriminator based on samples leads to biased gradients for the generator parameters. We also discuss the issue of kernel choice for the MMD critic, and characterize the kernel corresponding to the energy distance used for the Cramér GAN critic. Being an integral probability metric, the MMD benefits from training strategies recently developed for Wasserstein GANs. In experiments, the MMD GAN is able to employ a smaller critic network than the Wasserstein GAN, resulting in a simpler and faster-training algorithm with matching performance. We also propose an improved measure of GAN convergence, the Kernel Inception Distance, and show how to use it to dynamically adapt learning rates during GAN training.
SenSeI: Sensitive Set Invariance for Enforcing Individual Fairness
Authors: Mikhail Yurochkin, Yuekai Sun

In this paper, we cast fair machine learning as invariant machine learning. We first formulate a version of individual fairness that enforces invariance on certain sensitive sets. We then design a transport-based regularizer that enforces this version of individual fairness and develop an algorithm to minimize the regularizer efficiently. Our theoretical results guarantee the proposed approach trains certifiably fair ML models. Finally, in the experimental studies we demonstrate improved fairness metrics in comparison to several recent fair training procedures on three ML tasks that are susceptible to algorithmic bias.
Taking Notes on the Fly Helps Language Pre-Training
Authors: Qiyu Wu, Chen Xing, Yatao Li, Guolin Ke, Di He, Tie-Yan Liu

How to make unsupervised language pre-training more efficient and less resource-intensive is an important research direction in NLP. In this paper, we focus on improving the efficiency of language pre-training methods through providing better data utilization. It is well-known that in language data corpus, words follow a heavy-tail distribution. A large proportion of words appear only very few times and the embeddings of rare words are usually poorly optimized. We argue that such embeddings carry inadequate semantic signals, which could make the data utilization inefficient and slow down the pre-training of the entire model. To mitigate this problem, we propose Taking Notes on the Fly (TNF), which takes notes for rare words on the fly during pre-training to help the model understand them when they occur next time. Specifically, TNF maintains a note dictionary and saves a rare word's contextual information in it as notes when the rare word occurs in a sentence. When the same rare word occurs again during training, the note information saved beforehand can be employed to enhance the semantics of the current sentence. By doing so, TNF provides a better data utilization since cross-sentence information is employed to cover the inadequate semantics caused by rare words in the sentences. We implement TNF on both BERT and ELECTRA to check its efficiency and effectiveness.  Experimental results show that TNF's training time is 60% less than its backbone pre-training models when reaching the same performance.  When trained with same number of iterations, TNF outperforms its backbone methods on most of downstream tasks and the average GLUE score. Code is attached in the supplementary material.
Stein Latent Optimization for Generative Adversarial Networks
Authors: Uiwon Hwang, Heeseung Kim, Dahuin Jung, Hyemi Jang, Hyungyu Lee, Sungroh Yoon

Generative adversarial networks (GANs) with clustered latent spaces can perform conditional generation in a completely unsupervised manner. In the real world, the salient attributes of unlabeled data can be imbalanced. However, most of existing unsupervised conditional GANs cannot cluster attributes of these data in their latent spaces properly because they assume uniform distributions of the attributes. To address this problem, we theoretically derive Stein latent optimization that provides reparameterizable gradient estimations of the latent distribution parameters assuming a Gaussian mixture prior in a continuous latent space. Structurally, we introduce an encoder network and novel unsupervised conditional contrastive loss to ensure that data generated from a single mixture component represent a single attribute. We confirm that the proposed method, named Stein Latent Optimization for GANs (SLOGAN), successfully learns balanced or imbalanced attributes and achieves state-of-the-art unsupervised conditional generation performance even in the absence of attribute information (e.g., the imbalance ratio). Moreover, we demonstrate that the attributes to be learned can be manipulated using a small amount of probe data.
Approximability of Discriminators Implies Diversity in GANs
Authors: Yu Bai, Tengyu Ma, Andrej Risteski

While Generative Adversarial Networks (GANs) have empirically produced impressive results on learning complex real-world distributions, recent works have shown that they suffer from lack of diversity or mode collapse. The theoretical work of Arora et al. (2017a) suggests a dilemma about GANs’ statistical properties: powerful discriminators cause overfitting, whereas weak discriminators cannot detect mode collapse.
By contrast, we show in this paper that GANs can in principle learn distributions in Wasserstein distance (or KL-divergence in many cases) with polynomial sample complexity, if the discriminator class has strong distinguishing power against the particular generator class (instead of against all possible generators). For various generator classes such as mixture of Gaussians, exponential families, and invertible and injective neural networks generators, we design corresponding discriminators (which are often neural nets of specific architectures) such that the Integral Probability Metric (IPM) induced by the discriminators can provably approximate the Wasserstein distance and/or KL-divergence. This implies that if the training is successful, then the learned distribution is close to the true distribution in Wasserstein distance or KL divergence, and thus cannot drop modes. Our preliminary experiments show that on synthetic datasets the test IPM is well correlated with KL divergence or the Wasserstein distance, indicating that the lack of diversity in GANs may be caused by the sub-optimality in optimization instead of statistical inefficiency.