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data/2020/iclr/A Constructive Prediction of the Generalization Error Across Scales

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+The dependency of the generalization error of neural networks on model and dataset size is of critical importance both in practice and for understanding the theory of neural networks. Nevertheless, the functional form of this dependency remains elusive. In this work, we present a functional form which approximates well the generalization error in practice. Capitalizing on the successful concept of model scaling (e.g., width, depth), we are able to simultaneously construct such a form and specify the exact models which can attain it across model/data scales. Our construction follows insights obtained from observations conducted over a range of model/data scales, in various model types and datasets, in vision and language tasks. We show that the form both fits the observations well across scales, and provides accurate predictions from small- to large-scale models and data.

data/2020/iclr/A Fair Comparison of Graph Neural Networks for Graph Classification

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+Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation learning field has attracted the attention of a wide research community, which resulted in a large stream of works. As such, several Graph Neural Network models have been developed to effectively tackle graph classification. However, experimental procedures often lack rigorousness and are hardly reproducible. Motivated by this, we provide an overview of common practices that should be avoided to fairly compare with the state of the art. To counter this troubling trend, we ran more than 47000 experiments in a controlled and uniform framework to re-evaluate five popular models across nine common benchmarks. Moreover, by comparing GNNs with structure-agnostic baselines we provide convincing evidence that, on some datasets, structural information has not been exploited yet. We believe that this work can contribute to the development of the graph learning field, by providing a much needed grounding for rigorous evaluations of graph classification models.

data/2020/iclr/A Learning-based Iterative Method for Solving Vehicle Routing Problems

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+This paper is concerned with solving combinatorial optimization problems, in particular, the capacitated vehicle routing problems (CVRP). Classical Operations Research (OR) algorithms such as LKH3 (Helsgaun, 2017) are extremely inefficient (e.g., 13 hours on CVRP of only size 100) and difficult to scale to larger-size problems. Machine learning based approaches have recently shown to be promising, partly because of their efficiency (once trained, they can perform solving within minutes or even seconds). However, there is still a considerable gap between the quality of a machine learned solution and what OR methods can offer (e.g., on CVRP-100, the best result of learned solutions is between 16.10-16.80, significantly worse than LKH3's 15.65). In this paper, we present the first learning based approach for CVRP that is efficient in solving speed and at the same time outperforms OR methods. Starting with a random initial solution, our algorithm learns to iteratively refines the solution with an improvement operator, selected by a reinforcement learning based controller. The improvement operator is selected from a pool of powerful operators that are customized for routing problems. By combining the strengths of the two worlds, our approach achieves the new state-of-the-art results on CVRP, e.g., an average cost of 15.57 on CVRP-100.

data/2020/iclr/A Target-Agnostic Attack on Deep Models: Exploiting Security Vulnerabilities of Transfer Learning

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+Due to insufficient training data and the high computational cost to train a deep neural network from scratch, transfer learning has been extensively used in many deep-neural-network-based applications. A commonly used transfer learning approach involves taking a part of a pre-trained model, adding a few layers at the end, and re-training the new layers with a small dataset. This approach, while efficient and widely used, imposes a security vulnerability because the pre-trained model used in transfer learning is usually publicly available, including to potential attackers. In this paper, we show that without any additional knowledge other than the pre-trained model, an attacker can launch an effective and efficient brute force attack that can craft instances of input to trigger each target class with high confidence. We assume that the attacker has no access to any target-specific information, including samples from target classes, re-trained model, and probabilities assigned by Softmax to each class, and thus making the attack target-agnostic. These assumptions render all previous attack models inapplicable, to the best of our knowledge. To evaluate the proposed attack, we perform a set of experiments on face recognition and speech recognition tasks and show the effectiveness of the attack. Our work reveals a fundamental security weakness of the Softmax layer when used in transfer learning settings.

data/2020/iclr/A Theoretical Analysis of the Number of Shots in Few-Shot Learning

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+Few-shot classification is the task of predicting the category of an example from a set of few labeled examples. The number of labeled examples per category is called the number of shots (or shot number). Recent works tackle this task through meta-learning, where a meta-learner extracts information from observed tasks during meta-training to quickly adapt to new tasks during meta-testing. In this formulation, the number of shots exploited during meta-training has an impact on the recognition performance at meta-test time. Generally, the shot number used in meta-training should match the one used in meta-testing to obtain the best performance. We introduce a theoretical analysis of the impact of the shot number on Prototypical Networks, a state-of-the-art few-shot classification method. From our analysis, we propose a simple method that is robust to the choice of shot number used during meta-training, which is a crucial hyperparameter. The performance of our model trained for an arbitrary meta-training shot number shows great performance for different values of meta-testing shot numbers. We experimentally demonstrate our approach on different few-shot classification benchmarks.

data/2020/iclr/A critical analysis of self-supervision, or what we can learn from a single image

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+We look critically at popular self-supervision techniques for learning deep convolutional neural networks without manual labels. We show that three different and representative methods, BiGAN, RotNet and DeepCluster, can learn the first few layers of a convolutional network from a single image as well as using millions of images and manual labels, provided that strong data augmentation is used. However, for deeper layers the gap with manual supervision cannot be closed even if millions of unlabelled images are used for training. We conclude that: (1) the weights of the early layers of deep networks contain limited information about the statistics of natural images, that (2) such low-level statistics can be learned through self-supervision just as well as through strong supervision, and that (3) the low-level statistics can be captured via synthetic transformations instead of using a large image dataset.

data/2020/iclr/AMRL: Aggregated Memory For Reinforcement Learning

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+In many partially observable scenarios, Reinforcement Learning (RL) agents must rely on long-term memory in order to learn an optimal policy. We demonstrate that using techniques from NLP and supervised learning fails at RL tasks due to stochasticity from the environment and from exploration. Utilizing our insights on the limitations of traditional memory methods in RL, we propose AMRL, a class of models that can learn better policies with greater sample efficiency and are resilient to noisy inputs. Specifically, our models use a standard memory module to summarize short-term context, and then aggregate all prior states from the standard model without respect to order. We show that this provides advantages both in terms of gradient decay and signal-to-noise ratio over time. Evaluating in Minecraft and maze environments that test long-term memory, we find that our model improves average return by 19% over a baseline that has the same number of parameters and by 9% over a stronger baseline that has far more parameters.

data/2020/iclr/Accelerating SGD with momentum for over-parameterized learning

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+Nesterov SGD is widely used for training modern neural networks and other machine learning models. Yet, its advantages over SGD have not been theoretically clarified. Indeed, as we show in our paper, both theoretically and empirically, Nesterov SGD with any parameter selection does not in general provide acceleration over ordinary SGD. Furthermore, Nesterov SGD may diverge for step sizes that ensure convergence of ordinary SGD. This is in contrast to the classical results in the deterministic scenario, where the same step size ensures accelerated convergence of the Nesterov's method over optimal gradient descent. 
+To address the non-acceleration issue, we introduce a compensation term to Nesterov SGD. The resulting algorithm, which we call MaSS, converges for same step sizes as SGD. We prove that MaSS obtains an accelerated convergence rates over SGD for any mini-batch size in the linear setting. For full batch, the convergence rate of MaSS matches the well-known accelerated rate of the Nesterov's method. 
+We also analyze the practically important question of the dependence of the convergence rate and optimal hyper-parameters on the mini-batch size, demonstrating three distinct regimes: linear scaling, diminishing returns and saturation. 
+Experimental evaluation of MaSS for several standard architectures of deep networks, including ResNet and convolutional networks, shows improved performance over SGD, Nesterov SGD and Adam.

data/2020/iclr/Action Semantics Network: Considering the Effects of Actions in Multiagent Systems

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+In multiagent systems (MASs), each agent makes individual decisions but all of them contribute globally to the system evolution. Learning in MASs is difficult since each agent's selection of actions must take place in the presence of other co-learning agents. Moreover, the environmental stochasticity and uncertainties increase exponentially with the increase in the number of agents. Previous works borrow various multiagent coordination mechanisms into deep learning architecture to facilitate multiagent coordination. However, none of them explicitly consider action semantics between agents that different actions have different influences on other agents. In this paper, we propose a novel network architecture, named Action Semantics Network (ASN), that explicitly represents such action semantics between agents. ASN characterizes different actions' influence on other agents using neural networks based on the action semantics between them. ASN can be easily combined with existing deep reinforcement learning (DRL) algorithms to boost their performance. Experimental results on StarCraft II micromanagement and Neural MMO show ASN significantly improves the performance of state-of-the-art DRL approaches compared with several network architectures.

data/2020/iclr/Actor-Critic Provably Finds Nash Equilibria of Linear-Quadratic Mean-Field Games

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+We study discrete-time mean-field Markov games with infinite numbers of agents where each agent aims to minimize its ergodic cost. We consider the setting where the agents have identical linear state transitions and quadratic cost functions, while the aggregated effect of the agents is captured by the population mean of their states, namely, the mean-field state. For such a game, based on the Nash certainty equivalence principle, we provide sufficient conditions for the existence and uniqueness of its Nash equilibrium. Moreover, to find the Nash equilibrium, we propose a mean-field actor-critic algorithm with linear function approximation, which does not require knowing the model of dynamics. Specifically, at each iteration of our algorithm, we use the single-agent actor-critic algorithm to approximately obtain the optimal policy of the each agent given the current mean-field state, and then update the mean-field state. In particular, we prove that our algorithm converges to the Nash equilibrium at a linear rate. To the best of our knowledge, this is the first success of applying model-free reinforcement learning with function approximation to discrete-time mean-field Markov games with provable non-asymptotic global convergence guarantees.

data/2020/iclr/Adaptive Structural Fingerprints for Graph Attention Networks

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+Many real-world data sets are represented as graphs, such as citation links, social media, and biological interaction. The volatile graph structure makes it non-trivial to employ convolutional neural networks (CNN's) for graph data processing. Recently, graph attention network (GAT) has proven a promising attempt by combining graph neural networks with attention mechanism, so as to achieve massage passing in graphs with arbitrary structures. However, the attention in GAT is computed mainly based on the similarity between the node content, while the structures of the graph remains largely unemployed (except in masking the attention out of one-hop neighbors). In this paper, we propose an `````````````````````````````"ADaptive Structural Fingerprint" (ADSF) model to fully exploit both topological details of the graph and content features of the nodes. The key idea is to contextualize each node with a weighted, learnable receptive field encoding rich and diverse local graph structures. By doing this, structural interactions between the nodes can be inferred accurately, thus improving subsequent attention layer as well as the convergence of learning. Furthermore, our model provides a useful platform for different subspaces of node features and various scales of graph structures to ``cross-talk'' with each other through the learning of multi-head attention, being particularly useful in handling complex real-world data. Encouraging performance is observed on a number of benchmark data sets in node classification.

data/2020/iclr/Additive Powers-of-Two Quantization: An Efficient Non-uniform Discretization for Neural Networks

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+We propose Additive Powers-of-Two~(APoT) quantization, an efficient non-uniform quantization scheme for the bell-shaped and long-tailed distribution of weights and activations in neural networks. By constraining all quantization levels as the sum of Powers-of-Two terms, APoT quantization enjoys high computational efficiency and a good match with the distribution of weights. A simple reparameterization of the clipping function is applied to generate a better-defined gradient for learning the clipping threshold. Moreover, weight normalization is presented to refine the distribution of weights to make the training more stable and consistent. Experimental results show that our proposed method outperforms state-of-the-art methods, and is even competitive with the full-precision models, demonstrating the effectiveness of our proposed APoT quantization. For example, our 4-bit quantized ResNet-50 on ImageNet achieves 76.6% top-1 accuracy without bells and whistles; meanwhile, our model reduces 22% computational cost compared with the uniformly quantized counterpart.

data/2020/iclr/Adjustable Real-time Style Transfer

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+Artistic style transfer is the problem of synthesizing an image with content similar to a given image and style similar to another. Although recent feed-forward neural networks can generate stylized images in real-time, these models produce a single stylization given a pair of style/content images, and the user doesn't have control over the synthesized output. Moreover, the style transfer depends on the hyper-parameters of the model with varying "optimum" for different input images. Therefore, if the stylized output is not appealing to the user, she/he has to try multiple models or retrain one with different hyper-parameters to get a favorite stylization. In this paper, we address these issues by proposing a novel method which allows adjustment of crucial hyper-parameters, after the training and in real-time, through a set of manually adjustable parameters. These parameters enable the user to modify the synthesized outputs from the same pair of style/content images, in search of a favorite stylized image. Our quantitative and qualitative experiments indicate how adjusting these parameters is comparable to retraining the model with different hyper-parameters. We also demonstrate how these parameters can be randomized to generate results which are diverse but still very similar in style and content.

data/2020/iclr/Adversarial Policies: Attacking Deep Reinforcement Learning

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+Deep reinforcement learning (RL) policies are known to be vulnerable to adversarial perturbations to their observations, similar to adversarial examples for classifiers. However, an attacker is not usually able to directly modify another agent's observations. This might lead one to wonder: is it possible to attack an RL agent simply by choosing an adversarial policy acting in a multi-agent environment so as to create natural observations that are adversarial? We demonstrate the existence of adversarial policies in zero-sum games between simulated humanoid robots with proprioceptive observations, against state-of-the-art victims trained via self-play to be robust to opponents. The adversarial policies reliably win against the victims but generate seemingly random and uncoordinated behavior. We find that these policies are more successful in high-dimensional environments, and induce substantially different activations in the victim policy network than when the victim plays against a normal opponent. Videos are available at this https URL.

data/2020/iclr/Adversarially Robust Representations with Smooth Encoders

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+This paper studies the undesired phenomena of over-sensitivity of representations learned by deep networks to semantically-irrelevant changes in data. We identify a cause for this shortcoming in the classical Variational Auto-encoder (VAE) objective, the evidence lower bound (ELBO). We show that the ELBO fails to control the behaviour of the encoder out of the support of the empirical data distribution and this behaviour of the VAE can lead to extreme errors in the learned representation. This is a key hurdle in the effective use of representations for data-efficient learning and transfer. To address this problem, we propose to augment the data with specifications that enforce insensitivity of the representation with respect to families of transformations. To incorporate these specifications, we propose a regularization method that is based on a selection mechanism that creates a fictive data point by explicitly perturbing an observed true data point. For certain choices of parameters, our formulation naturally leads to the minimization of the entropy regularized Wasserstein distance between representations. We illustrate our approach on standard datasets and experimentally show that significant improvements in the downstream adversarial accuracy can be achieved by learning robust representations completely in an unsupervised manner, without a reference to a particular downstream task and without a costly supervised adversarial training procedure.

data/2020/iclr/Adversarially robust transfer learning

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+Transfer learning, in which a network is trained on one task and re-purposed on another, is often used to produce neural network classifiers when data is scarce or full-scale training is too costly. When the goal is to produce a model that is not only accurate but also adversarially robust, data scarcity and computational limitations become even more cumbersome. We consider robust transfer learning, in which we transfer not only performance but also robustness from a source model to a target domain. We start by observing that robust networks contain robust feature extractors. By training classifiers on top of these feature extractors, we produce new models that inherit the robustness of their parent networks. We then consider the case of fine tuning a network by re-training end-to-end in the target domain. When using lifelong learning strategies, this process preserves the robustness of the source network while achieving high accuracy. By using such strategies, it is possible to produce accurate and robust models with little data, and without the cost of adversarial training. Additionally, we can improve the generalization of adversarially trained models, while maintaining their robustness.