mtybilly/Instruct2DS huggingface dataset:
FSNet: Compression of Deep Convolutional Neural Networks by Filter Summary
Authors: Yingzhen Yang, Jiahui Yu, Nebojsa Jojic, Jun Huan, Thomas S. Huang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: We present a novel method of compression of deep Convolutional Neural Networks (CNNs) by weight sharing through a new representation of convolutional filters. The proposed method reduces the number of parameters of each convolutional layer by learning a $1$D vector termed Filter Summary (FS). The convolutional filters are located in FS as overlapping $1$D segments, and nearby filters in FS share weights in their overlapping regions in a natural way. The resultant neural network based on such weight sharing scheme, termed Filter Summary CNNs or FSNet, has a FS in each convolution layer instead of a set of independent filters in the conventional convolution layer. FSNet has the same architecture as that of the baseline CNN to be compressed, and each convolution layer of FSNet has the same number of filters from FS as that of the basline CNN in the forward process. With compelling computational acceleration ratio, the parameter space of FSNet is much smaller than that of the baseline CNN. In addition, FSNet is quantization friendly. FSNet with weight quantization leads to even higher compression ratio without noticeable performance loss. We further propose Differentiable FSNet where the way filters share weights is learned in a differentiable and end-to-end manner. Experiments demonstrate the effectiveness of FSNet in compression of CNNs for computer vision tasks including image classification and object detection, and the effectiveness of DFSNet is evidenced by the task of Neural Architecture Search.
Playing the lottery with rewards and multiple languages: lottery tickets in RL and NLP
Authors: Haonan Yu, Sergey Edunov, Yuandong Tian, Ari S. Morcos
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: The lottery ticket hypothesis proposes that over-parameterization of deep neural networks (DNNs) aids training by increasing the probability of a “lucky” sub-network initialization being present rather than by helping the optimization process (Frankle& Carbin, 2019). Intriguingly, this phenomenon suggests that initialization strategies for DNNs can be improved substantially, but the lottery ticket hypothesis has only previously been tested in the context of supervised learning for natural image tasks. Here, we evaluate whether “winning ticket” initializations exist in two different domains: natural language processing (NLP) and reinforcement learning (RL).For NLP, we examined both recurrent LSTM models and large-scale Transformer models (Vaswani et al., 2017). For RL, we analyzed a number of discrete-action space tasks, including both classic control and pixel control. Consistent with workin supervised image classification, we confirm that winning ticket initializations generally outperform parameter-matched random initializations, even at extreme pruning rates for both NLP and RL. Notably, we are able to find winning ticket initializations for Transformers which enable models one-third the size to achieve nearly equivalent performance. Together, these results suggest that the lottery ticket hypothesis is not restricted to supervised learning of natural images, but rather represents a broader phenomenon in DNNs.
Making Sense of Reinforcement Learning and Probabilistic Inference
Authors: Brendan O'Donoghue, Ian Osband, Catalin Ionescu
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Reinforcement learning (RL) combines a control problem with statistical estimation: The system dynamics are not known to the agent, but can be learned through experience. A recent line of research casts ‘RL as inference’ and suggests a particular framework to generalize the RL problem as probabilistic inference. Our paper surfaces a key shortcoming in that approach, and clarifies the sense in which RL can be coherently cast as an inference problem. In particular, an RL agent must consider the effects of its actions upon future rewards and observations: The exploration-exploitation tradeoff. In all but the most simple settings, the resulting inference is computationally intractable so that practical RL algorithms must resort to approximation. We demonstrate that the popular ‘RL as inference’ approximation can perform poorly in even very basic problems. However, we show that with a small modification the framework does yield algorithms that can provably perform well, and we show that the resulting algorithm is equivalent to the recently proposed K-learning, which we further connect with Thompson sampling.
Restricting the Flow: Information Bottlenecks for Attribution
Authors: Karl Schulz, Leon Sixt, Federico Tombari, Tim Landgraf
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Attribution methods provide insights into the decision-making of machine learning models like artificial neural networks. For a given input sample, they assign a relevance score to each individual input variable, such as the pixels of an image. In this work, we adopt the information bottleneck concept for attribution. By adding noise to intermediate feature maps, we restrict the flow of information and can quantify (in bits) how much information image regions provide. We compare our method against ten baselines using three different metrics on VGG-16 and ResNet-50, and find that our methods outperform all baselines in five out of six settings. The method’s information-theoretic foundation provides an absolute frame of reference for attribution values (bits) and a guarantee that regions scored close to zero are not necessary for the network's decision.
SQIL: Imitation Learning via Reinforcement Learning with Sparse Rewards
Authors: Siddharth Reddy, Anca D. Dragan, Sergey Levine
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Learning to imitate expert behavior from demonstrations can be challenging, especially in environments with high-dimensional, continuous observations and unknown dynamics. Supervised learning methods based on behavioral cloning (BC) suffer from distribution shift: because the agent greedily imitates demonstrated actions, it can drift away from demonstrated states due to error accumulation. Recent methods based on reinforcement learning (RL), such as inverse RL and generative adversarial imitation learning (GAIL), overcome this issue by training an RL agent to match the demonstrations over a long horizon. Since the true reward function for the task is unknown, these methods learn a reward function from the demonstrations, often using complex and brittle approximation techniques that involve adversarial training. We propose a simple alternative that still uses RL, but does not require learning a reward function. The key idea is to provide the agent with an incentive to match the demonstrations over a long horizon, by encouraging it to return to demonstrated states upon encountering new, out-of-distribution states. We accomplish this by giving the agent a constant reward of r=+1 for matching the demonstrated action in a demonstrated state, and a constant reward of r=0 for all other behavior. Our method, which we call soft Q imitation learning (SQIL), can be implemented with a handful of minor modifications to any standard Q-learning or off-policy actor-critic algorithm. Theoretically, we show that SQIL can be interpreted as a regularized variant of BC that uses a sparsity prior to encourage long-horizon imitation. Empirically, we show that SQIL outperforms BC and achieves competitive results compared to GAIL, on a variety of image-based and low-dimensional tasks in Box2D, Atari, and MuJoCo. This paper is a proof of concept that illustrates how a simple imitation method based on RL with constant rewards can be as effective as more complex methods that use learned rewards.
Interpretable Complex-Valued Neural Networks for Privacy Protection
Authors: Liyao Xiang, Hao Zhang, Haotian Ma, Yifan Zhang, Jie Ren, Quanshi Zhang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Previous studies have found that an adversary attacker can often infer unintended input information from intermediate-layer features. We study the possibility of preventing such adversarial inference, yet without too much accuracy degradation. We propose a generic method to revise the neural network to boost the challenge of inferring input attributes from features, while maintaining highly accurate outputs. In particular, the method transforms real-valued features into complex-valued ones, in which the input is hidden in a randomized phase of the transformed features. The knowledge of the phase acts like a key, with which any party can easily recover the output from the processing result, but without which the party can neither recover the output nor distinguish the original input. Preliminary experiments on various datasets and network structures have shown that our method significantly diminishes the adversary's ability in inferring about the input while largely preserves the resulting accuracy.
Model Based Reinforcement Learning for Atari
Authors: Łukasz Kaiser, Mohammad Babaeizadeh, Piotr Miłos, Błażej Osiński, Roy H Campbell, Konrad Czechowski, Dumitru Erhan, Chelsea Finn, Piotr Kozakowski, Sergey Levine, Afroz Mohiuddin, Ryan Sepassi, George Tucker, Henryk Michalewski
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Model-free reinforcement learning (RL) can be used to learn effective policies for complex tasks, such as Atari games, even from image observations. However, this typically requires very large amounts of interaction -- substantially more, in fact, than a human would need to learn the same games. How can people learn so quickly? Part of the answer may be that people can learn how the game works and predict which actions will lead to desirable outcomes. In this paper, we explore how video prediction models can similarly enable agents to solve Atari games with fewer interactions than model-free methods. We describe Simulated Policy Learning (SimPLe), a complete model-based deep RL algorithm based on video prediction models and present a comparison of several model architectures, including a novel architecture that yields the best results in our setting. Our experiments evaluate SimPLe on a range of Atari games in low data regime of 100k interactions between the agent and the environment, which corresponds to two hours of real-time play. In most games SimPLe outperforms state-of-the-art model-free algorithms, in some games by over an order of magnitude.
Reanalysis of Variance Reduced Temporal Difference Learning
Authors: Tengyu Xu, Zhe Wang, Yi Zhou, Yingbin Liang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Temporal difference (TD) learning is a popular algorithm for policy evaluation in reinforcement learning, but the vanilla TD can substantially suffer from the inherent optimization variance. A variance reduced TD (VRTD) algorithm was proposed by \cite{korda2015td}, which applies the variance reduction technique directly to the online TD learning with Markovian samples. In this work, we first point out the technical errors in the analysis of VRTD in \cite{korda2015td}, and then provide a mathematically solid analysis of the non-asymptotic convergence of VRTD and its variance reduction performance. We show that VRTD is guaranteed to converge to a neighborhood of the fixed-point solution of TD at a linear convergence rate. Furthermore, the variance error (for both i.i.d.\ and Markovian sampling) and the bias error (for Markovian sampling) of VRTD are significantly reduced by the batch size of variance reduction in comparison to those of vanilla TD. As a result, the overall computational complexity of VRTD to attain a given accurate solution outperforms that of TD under Markov sampling and outperforms that of TD under i.i.d.\ sampling for a sufficiently small conditional number.
Consistency Regularization for Generative Adversarial Networks
Authors: Han Zhang, Zizhao Zhang, Augustus Odena, Honglak Lee
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Generative Adversarial Networks (GANs) are known to be difficult to train, despite considerable research effort. Several regularization techniques for stabilizing training have been proposed, but they introduce non-trivial computational overheads and interact poorly with existing techniques like spectral normalization. In this work, we propose a simple, effective training stabilizer based on the notion of consistency regularization—a popular technique in the semi-supervised learning literature. In particular, we augment data passing into the GAN discriminator and penalize the sensitivity of the discriminator to these augmentations. We conduct a series of experiments to demonstrate that consistency regularization works effectively with spectral normalization and various GAN architectures, loss functions and optimizer settings. Our method achieves the best FID scores for unconditional image generation compared to other regularization methods on CIFAR-10 and CelebA. Moreover, Our consistency regularized GAN (CR-GAN) improves state of-the-art FID scores for conditional generation from 14.73 to 11.48 on CIFAR-10 and from 8.73 to 6.66 on ImageNet-2012.
Black-box Off-policy Estimation for Infinite-Horizon Reinforcement Learning
Authors: Ali Mousavi, Lihong Li, Qiang Liu, Denny Zhou
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Off-policy estimation for long-horizon problems is important in many real-life applications such as healthcare and robotics, where high-fidelity simulators may not be available and on-policy evaluation is expensive or impossible.  Recently, \citet{liu18breaking} proposed an approach that avoids the curse of horizon suffered by typical importance-sampling-based methods. While showing promising results, this approach is limited in practice as it requires data being collected by a known behavior policy. In this work, we propose a novel approach that eliminates such limitations. In particular, we formulate the problem as solving for the fixed point of a "backward flow" operator and show that the fixed point solution gives the desired importance ratios of stationary distributions between the target and behavior policies.  We analyze its asymptotic consistency and finite-sample
generalization. Experiments on benchmarks verify the effectiveness of our proposed approach.
Graph Neural Networks Exponentially Lose Expressive Power for Node Classification
Authors: Kenta Oono, Taiji Suzuki
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add non-lineality. To tackle this problem, we investigate the expressive power of graph NNs via their asymptotic behaviors as the layer size tends to infinity.
Our strategy is to generalize the forward propagation of a Graph Convolutional Network (GCN), which is a popular graph NN variant, as a specific dynamical system. In the case of a GCN, we show that when its weights satisfy the conditions determined by the spectra of the (augmented) normalized Laplacian, its output exponentially approaches the set of signals that carry information of the connected components and node degrees only for distinguishing nodes.
Our theory enables us to relate the expressive power of GCNs with the topological information of the underlying graphs inherent in the graph spectra. To demonstrate this, we characterize the asymptotic behavior of GCNs on the Erd\H{o}s -- R\'{e}nyi graph.
We show that when the Erd\H{o}s -- R\'{e}nyi graph is sufficiently dense and large, a broad range of GCNs on it suffers from the ``information loss" in the limit of infinite layers with high probability.
Based on the theory, we provide a principled guideline for weight normalization of graph NNs. We experimentally confirm that the proposed weight scaling enhances the predictive performance of GCNs in real data. Code is available at https://github.com/delta2323/gnn-asymptotics.
Stochastic Conditional Generative Networks with Basis Decomposition
Authors: Ze Wang, Xiuyuan Cheng, Guillermo Sapiro, Qiang Qiu
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: While generative adversarial networks (GANs) have revolutionized machine learning, a number of open questions remain to fully understand them and exploit their power. One of these questions is how to efficiently achieve proper diversity and sampling of the multi-mode data space. To address this, we introduce BasisGAN, a stochastic conditional multi-mode image generator. By exploiting the observation that a convolutional filter can be well approximated as a linear combination of a small set of basis elements, we learn a plug-and-played basis generator to stochastically generate basis elements, with just a few hundred of parameters, to fully embed stochasticity into convolutional filters. By sampling basis elements instead of filters, we dramatically reduce the cost of modeling the parameter space with no sacrifice on either image diversity or fidelity. To illustrate this proposed plug-and-play framework, we construct variants of BasisGAN based on state-of-the-art conditional image generation networks, and train the networks by simply plugging in a basis generator, without additional auxiliary components, hyperparameters, or training objectives. The experimental success is complemented with theoretical results indicating how the perturbations introduced by the proposed sampling of basis elements can propagate to the appearance of generated images.
Dream to Control: Learning Behaviors by Latent Imagination
Authors: Danijar Hafner, Timothy Lillicrap, Jimmy Ba, Mohammad Norouzi
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Learned world models summarize an agent's experience to facilitate learning complex behaviors. While learning world models from high-dimensional sensory inputs is becoming feasible through deep learning, there are many potential ways for deriving behaviors from them. We present Dreamer, a reinforcement learning agent that solves long-horizon tasks from images purely by latent imagination. We efficiently learn behaviors by propagating analytic gradients of learned state values back through trajectories imagined in the compact state space of a learned world model. On 20 challenging visual control tasks, Dreamer exceeds existing approaches in data-efficiency, computation time, and final performance.
CM3: Cooperative Multi-goal Multi-stage Multi-agent Reinforcement Learning
Authors: Jiachen Yang, Alireza Nakhaei, David Isele, Kikuo Fujimura, Hongyuan Zha
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: A variety of cooperative multi-agent control problems require agents to achieve individual goals while contributing to collective success. This multi-goal multi-agent setting poses difficulties for recent algorithms, which primarily target settings with a single global reward, due to two new challenges: efficient exploration for learning both individual goal attainment and cooperation for others' success, and credit-assignment for interactions between actions and goals of different agents. To address both challenges, we restructure the problem into a novel two-stage curriculum, in which single-agent goal attainment is learned prior to learning multi-agent cooperation, and we derive a new multi-goal multi-agent policy gradient with a credit function for localized credit assignment. We use a function augmentation scheme to bridge value and policy functions across the curriculum. The complete architecture, called CM3, learns significantly faster than direct adaptations of existing algorithms on three challenging multi-goal multi-agent problems: cooperative navigation in difficult formations, negotiating multi-vehicle lane changes in the SUMO traffic simulator, and strategic cooperation in a Checkers environment.
Synthesizing Programmatic Policies that Inductively Generalize
Authors: Jeevana Priya Inala, Osbert Bastani, Zenna Tavares, Armando Solar-Lezama
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Deep reinforcement learning has successfully solved a number of challenging control tasks. However, learned policies typically have difficulty generalizing to novel environments. We propose an algorithm for learning programmatic state machine policies that can capture repeating behaviors. By doing so, they have the ability to generalize to instances requiring an arbitrary number of repetitions, a property we call inductive generalization. However, state machine policies are hard to learn since they consist of a combination of continuous and discrete structures. We propose a learning framework called adaptive teaching, which learns a state machine policy by imitating a teacher; in contrast to traditional imitation learning, our teacher adaptively updates itself based on the structure of the student. We show that our algorithm can be used to learn policies that inductively generalize to novel environments, whereas traditional neural network policies fail to do so.
Cross-lingual Alignment vs Joint Training: A Comparative Study and A Simple Unified Framework
Authors: Zirui Wang*, Jiateng Xie*, Ruochen Xu, Yiming Yang, Graham Neubig, Jaime G. Carbonell
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Learning multilingual representations of text has proven a successful method for many cross-lingual transfer learning tasks. There are two main paradigms for learning such representations: (1) alignment, which maps different independently trained monolingual representations into a shared space, and (2) joint training, which directly learns unified multilingual representations using monolingual and cross-lingual objectives jointly. In this paper, we first conduct direct comparisons of representations learned using both of these methods across diverse cross-lingual tasks. Our empirical results reveal a set of pros and cons for both methods, and show that the relative performance of alignment versus joint training is task-dependent. Stemming from this analysis, we propose a simple and novel framework that combines these two previously mutually-exclusive approaches. Extensive experiments demonstrate that our proposed framework alleviates limitations of both approaches, and outperforms existing methods on the MUSE bilingual lexicon induction (BLI) benchmark. We further show that this framework can generalize to contextualized representations such as Multilingual BERT, and produces state-of-the-art results on the CoNLL cross-lingual NER benchmark.
AugMix: A Simple Data Processing Method to Improve Robustness and Uncertainty
Authors: Dan Hendrycks*, Norman Mu*, Ekin Dogus Cubuk, Barret Zoph, Justin Gilmer, Balaji Lakshminarayanan
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Modern deep neural networks can achieve high accuracy when the training distribution and test distribution are identically distributed, but this assumption is frequently violated in practice. When the train and test distributions are mismatched, accuracy can plummet. Currently there are few techniques that improve robustness to unforeseen data shifts encountered during deployment. In this work, we propose a technique to improve the robustness and uncertainty estimates of image classifiers. We propose AugMix, a data processing technique that is simple to implement, adds limited computational overhead, and helps models withstand unforeseen corruptions. AugMix significantly improves robustness and uncertainty measures on challenging image classification benchmarks, closing the gap between previous methods and the best possible performance in some cases by more than half.
Doubly Robust Bias Reduction in Infinite Horizon Off-Policy Estimation
Authors: Ziyang Tang*, Yihao Feng*, Lihong Li, Dengyong Zhou, Qiang Liu
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Infinite horizon off-policy policy evaluation is a highly challenging task due to the excessively large variance of typical importance sampling (IS) estimators. Recently, Liu et al. (2018) proposed an approach that significantly reduces the variance of infinite-horizon off-policy evaluation by estimating the stationary density ratio, but at the cost of introducing potentially high risks due to the error in density ratio estimation. In this paper, we develop a bias-reduced augmentation of their method, which can take advantage of a learned value function to obtain higher accuracy. Our method is doubly robust in that the bias vanishes when either the density ratio or value function estimation is perfect.  In general, when either of them is accurate, the bias can also be reduced. Both theoretical and empirical results show that our method yields significant advantages over previous methods.
Comparing Rewinding and Fine-tuning in Neural Network Pruning
Authors: Alex Renda, Jonathan Frankle, Michael Carbin
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Many neural network pruning algorithms proceed in three steps: train the network to completion, remove unwanted structure to compress the network, and retrain the remaining structure to recover lost accuracy. The standard retraining technique, fine-tuning, trains the unpruned weights from their final trained values using a small fixed learning rate. In this paper, we compare fine-tuning to alternative retraining techniques. Weight rewinding (as proposed by Frankle et al., (2019)), rewinds unpruned weights to their values from earlier in training and retrains them from there using the original training schedule. Learning rate rewinding (which we propose) trains the unpruned weights from their final values using the same learning rate schedule as weight rewinding. Both rewinding techniques outperform fine-tuning, forming the basis of a network-agnostic pruning algorithm that matches the accuracy and compression ratios of several more network-specific state-of-the-art techniques.
Asymptotics of Wide Networks from Feynman Diagrams
Authors: Ethan Dyer, Guy Gur-Ari
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Understanding the asymptotic behavior of wide networks is of considerable interest. In this work, we present a general method for analyzing this large width behavior. The method is an adaptation of Feynman diagrams, a standard tool for computing multivariate Gaussian integrals. We apply our method to study training dynamics, improving existing bounds and deriving new results on wide network evolution during stochastic gradient descent. Going beyond the strict large width limit, we present closed-form expressions for higher-order terms governing wide network training, and test these predictions empirically.
Transferring Optimality Across Data Distributions via Homotopy Methods
Authors: Matilde Gargiani, Andrea Zanelli, Quoc Tran Dinh, Moritz Diehl, Frank Hutter
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Homotopy methods, also known as continuation methods, are a powerful mathematical tool to efficiently solve various problems in numerical analysis, including complex non-convex optimization problems where no or only little prior knowledge regarding the localization of the solutions is available. 
In this work, we propose a novel homotopy-based numerical method that can be used to transfer knowledge regarding the localization of an optimum across different task distributions in deep learning applications. We validate the proposed methodology with some empirical evaluations in the regression and classification scenarios, where it shows that superior numerical performance can be achieved in popular deep learning benchmarks, i.e. FashionMNIST, CIFAR-10, and draw connections with the widely used fine-tuning heuristic. In addition, we give more insights on the properties of a general homotopy method when used in combination with Stochastic Gradient Descent by conducting a general local theoretical analysis in a simplified setting.
Probability Calibration for Knowledge Graph Embedding Models
Authors: Pedro Tabacof, Luca Costabello
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Knowledge graph embedding research has overlooked the problem of probability calibration. We show popular embedding models are indeed uncalibrated. That means probability estimates associated to predicted triples are unreliable. We present a novel method to calibrate a model when ground truth negatives are not available, which is the usual case in knowledge graphs. We propose to use Platt scaling and isotonic regression alongside our method. Experiments on three datasets with ground truth negatives show our contribution leads to well calibrated models when compared to the gold standard of using negatives. We get significantly better results than the uncalibrated models from all calibration methods. We show isotonic regression offers the best the performance overall, not without trade-offs. We also show that calibrated models reach state-of-the-art accuracy without the need to define relation-specific decision thresholds.
From Variational to Deterministic Autoencoders
Authors: Partha Ghosh, Mehdi S. M. Sajjadi, Antonio Vergari, Michael Black, Bernhard Scholkopf
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract:  Variational Autoencoders (VAEs) provide a theoretically-backed and popular framework for deep generative models. However, learning a VAE from data poses still unanswered theoretical questions and considerable practical challenges. In this work, we propose an alternative framework for generative modeling that is simpler, easier to train, and deterministic, yet has many of the advantages of the VAE. We observe that sampling a stochastic encoder in a Gaussian VAE can be interpreted as simply injecting noise into the input of a deterministic decoder. We investigate how substituting this kind of stochasticity, with other explicit and implicit regularization schemes, can lead to an equally smooth and meaningful latent space without having to force it to conform to an arbitrarily chosen prior. To retrieve a generative mechanism to sample new data points, we introduce an ex-post density estimation step that can be readily applied to the proposed framework as well as existing VAEs, improving their sample quality. We show, in a rigorous empirical study, that the proposed regularized deterministic autoencoders are able to generate samples that are comparable to, or better than, those of VAEs and more powerful alternatives when applied to images as well as to structured data such as molecules.
Mixed-curvature Variational Autoencoders
Authors: Ondrej Skopek, Octavian-Eugen Ganea, Gary Bécigneul
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Euclidean space has historically been the typical workhorse geometry for machine learning applications due to its power and simplicity. However, it has recently been shown that geometric spaces with constant non-zero curvature improve representations and performance on a variety of data types and downstream tasks. Consequently, generative models like Variational Autoencoders (VAEs) have been successfully generalized to elliptical and hyperbolic latent spaces. While these approaches work well on data with particular kinds of biases e.g. tree-like data for a hyperbolic VAE, there exists no generic approach unifying and leveraging all three models. We develop a Mixed-curvature Variational Autoencoder, an efficient way to train a VAE whose latent space is a product of constant curvature Riemannian manifolds, where the per-component curvature is fixed or learnable. This generalizes the Euclidean VAE to curved latent spaces and recovers it when curvatures of all latent space components go to 0.
Causal Discovery with Reinforcement Learning
Authors: Shengyu Zhu, Ignavier Ng, Zhitang Chen
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Discovering causal structure among a set of variables is a fundamental problem in many empirical sciences. Traditional score-based casual discovery methods rely on various local heuristics to search for a Directed Acyclic Graph (DAG) according to a predefined score function. While these methods, e.g., greedy equivalence search, may have attractive results with infinite samples and certain model assumptions, they are less satisfactory in practice due to finite data and possible violation of assumptions. Motivated by recent advances in neural combinatorial optimization, we propose to use Reinforcement Learning (RL) to search for the DAG with the best scoring. Our encoder-decoder model takes observable data as input and generates graph adjacency matrices that are used to compute rewards. The reward incorporates both the predefined score function and two penalty terms for enforcing acyclicity. In contrast with typical RL applications where the goal is to learn a policy, we use RL as a search strategy and our final output would be the graph, among all graphs generated during training, that achieves the best reward. We conduct experiments on both synthetic and real datasets, and show that the proposed approach not only has an improved search ability but also allows for a flexible score function under the acyclicity constraint.
ES-MAML: Simple Hessian-Free Meta Learning
Authors: Xingyou Song, Wenbo Gao, Yuxiang Yang, Krzysztof Choromanski, Aldo Pacchiano, Yunhao Tang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: We introduce ES-MAML, a new framework for solving the model agnostic meta learning (MAML) problem based on Evolution Strategies (ES). Existing algorithms for MAML are based on policy gradients, and incur significant difficulties when attempting to estimate second derivatives using backpropagation on stochastic policies. We show how ES can be applied to MAML to obtain an algorithm which avoids the problem of estimating second derivatives, and is also conceptually simple and easy to implement. Moreover, ES-MAML can handle new types of nonsmooth adaptation operators, and other techniques for improving performance and estimation of ES methods become applicable. We show empirically that ES-MAML is competitive with existing methods and often yields better adaptation with fewer queries.
Improving Generalization in Meta Reinforcement Learning using Learned Objectives
Authors: Louis Kirsch, Sjoerd van Steenkiste, Juergen Schmidhuber
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Biological evolution has distilled the experiences of many learners into the general learning algorithms of humans. Our novel meta reinforcement learning algorithm MetaGenRL is inspired by this process. MetaGenRL distills the experiences of many complex agents to meta-learn a low-complexity neural objective function that decides how future individuals will learn. Unlike recent meta-RL algorithms, MetaGenRL can generalize to new environments that are entirely different from those used for meta-training. In some cases, it even outperforms human-engineered RL algorithms. MetaGenRL uses off-policy second-order gradients during meta-training that greatly increase its sample efficiency.
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation
Authors: Chence Shi*, Minkai Xu*, Zhaocheng Zhu, Weinan Zhang, Ming Zhang, Jian Tang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing their chemical properties in the meantime. Inspired by the recent progress in deep generative models, in this paper we propose a flow-based autoregressive model for graph generation called GraphAF. GraphAF combines the advantages of both autoregressive and flow-based approaches and enjoys: (1) high model flexibility for data density estimation; (2) efficient parallel computation for training; (3) an iterative sampling process, which allows leveraging chemical domain knowledge for valency checking. Experimental results show that GraphAF is able to generate 68\% chemically valid molecules even without chemical knowledge rules and 100\% valid molecules with chemical rules. The training process of GraphAF is two times faster than the existing state-of-the-art approach GCPN. After fine-tuning the model for goal-directed property optimization with reinforcement learning, GraphAF achieves state-of-the-art performance on both chemical property optimization and constrained property optimization.
How to 0wn the NAS in Your Spare Time
Authors: Sanghyun Hong, Michael Davinroy, Yiǧitcan Kaya, Dana Dachman-Soled, Tudor Dumitraş
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: New data processing pipelines and novel network architectures increasingly drive the success of deep learning. In consequence, the industry considers top-performing architectures as intellectual property and devotes considerable computational resources to discovering such architectures through neural architecture search (NAS). This provides an incentive for adversaries to steal these novel architectures; when used in the cloud, to provide Machine Learning as a Service (MLaaS), the adversaries also have an opportunity to reconstruct the architectures by exploiting a range of hardware side-channels. However, it is challenging to reconstruct novel architectures and pipelines without knowing the computational graph (e.g., the layers, branches or skip connections), the architectural parameters (e.g., the number of filters in a convolutional layer) or the specific pre-processing steps (e.g. embeddings). In this paper, we design an algorithm that reconstructs the key components of a novel deep learning system by exploiting a small amount of information leakage from a cache side-channel attack, Flush+Reload. We use Flush+Reload to infer the trace of computations and the timing for each computation. Our algorithm then generates candidate computational graphs from the trace and eliminates incompatible candidates through a parameter estimation process. We implement our algorithm in PyTorch and Tensorflow. We demonstrate experimentally that we can reconstruct MalConv, a novel data pre-processing pipeline for malware detection, and ProxylessNAS-CPU, a novel network architecture for the ImageNet classification optimized to run on CPUs, without knowing the architecture family. In both cases, we achieve 0% error. These results suggest hardware side channels are a practical attack vector against MLaaS, and more efforts should be devoted to understanding their impact on the security of deep learning systems.
Data-dependent Gaussian Prior Objective for Language Generation
Authors: Zuchao Li, Rui Wang, Kehai Chen, Masso Utiyama, Eiichiro Sumita, Zhuosheng Zhang, Hai Zhao
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: For typical sequence prediction problems such as language generation, maximum likelihood estimation (MLE) has commonly been adopted as it encourages the predicted sequence most consistent with the ground-truth sequence to have the highest probability of occurring. However, MLE focuses on once-to-all matching between the predicted sequence and gold-standard, consequently treating all incorrect predictions as being equally incorrect. We refer to this drawback as {\it negative diversity ignorance} in this paper. Treating all incorrect predictions as equal unfairly downplays the nuance of these sequences' detailed token-wise structure. To counteract this, we augment the MLE loss by introducing an extra Kullback--Leibler divergence term derived by comparing a data-dependent Gaussian prior and the detailed training prediction. The proposed data-dependent Gaussian prior objective (D2GPo) is defined over a prior topological order of tokens and is poles apart from the data-independent Gaussian prior (L2 regularization) commonly adopted in smoothing the training of MLE. Experimental results show that the proposed method makes effective use of a more detailed prior in the data and has improved performance in typical language generation tasks, including supervised and unsupervised machine translation, text summarization, storytelling, and image captioning.
Energy-based models for atomic-resolution protein conformations
Authors: Yilun Du, Joshua Meier, Jerry Ma, Rob Fergus, Alexander Rives
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: We propose an energy-based model (EBM) of protein conformations that operates at atomic scale. The model is trained solely on crystallized protein data. By contrast, existing approaches for scoring conformations use energy functions that incorporate knowledge of physical principles and features that are the complex product of several decades of research and tuning. To evaluate the model, we benchmark on the rotamer recovery task, the problem of predicting the conformation of a side chain from its context within a protein structure, which has been used to evaluate energy functions for protein design. The model achieves performance close to that of the Rosetta energy function, a state-of-the-art method widely used in protein structure prediction and design. An investigation of the model’s outputs and hidden representations finds that it captures physicochemical properties relevant to protein energy.
Deep Learning For Symbolic Mathematics
Authors: Guillaume Lample, François Charton
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Neural networks have a reputation for being better at solving statistical or approximate problems than at performing calculations or working with symbolic data. In this paper, we show that they can be surprisingly good at more elaborated tasks in mathematics, such as symbolic integration and solving differential equations. We propose a syntax for representing these mathematical problems, and methods for generating large datasets that can be used to train sequence-to-sequence models. We achieve results that outperform commercial Computer Algebra Systems such as Matlab or Mathematica.
Learning to Link
Authors: Maria-Florina Balcan, Travis Dick, Manuel Lang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Clustering is an important part of many modern data analysis pipelines, including network analysis and data retrieval. There are many different clustering algorithms developed by various communities, and it is often not clear which algorithm will give the best performance on a specific clustering task. Similarly, we often have multiple ways to measure distances between data points, and the best clustering performance might require a non-trivial combination of those metrics. In this work, we study data-driven algorithm selection and metric learning for clustering problems, where the goal is to simultaneously learn the best algorithm and metric for a specific application. The family of clustering algorithms we consider is parameterized linkage based procedures that includes single and complete linkage. The family of distance functions we learn over are convex combinations of base distance functions. We design efficient learning algorithms which receive samples from an application-specific distribution over clustering instances and learn a near-optimal distance and clustering algorithm from these classes. We also carry out a comprehensive empirical evaluation of our techniques showing that they can lead to significantly improved clustering performance on real-world datasets.
RNA Secondary Structure Prediction By Learning Unrolled Algorithms
Authors: Xinshi Chen, Yu Li, Ramzan Umarov, Xin Gao, Le Song
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: In this paper, we propose an end-to-end deep learning model, called E2Efold, for RNA secondary structure prediction which can effectively take into account the inherent constraints in the problem. The key idea of E2Efold is to directly predict the RNA base-pairing matrix, and use an unrolled algorithm for constrained programming as the template for deep architectures to enforce constraints. With comprehensive experiments on benchmark datasets, we demonstrate the superior performance of E2Efold: it predicts significantly better structures compared to previous SOTA (especially for pseudoknotted structures), while being as efficient as the fastest algorithms in terms of inference time.
The intriguing role of module criticality in the generalization of deep networks
Authors: Niladri Chatterji, Behnam Neyshabur, Hanie Sedghi
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: We study the phenomenon that some modules of deep neural networks (DNNs) are more critical than others. Meaning that rewinding their parameter values back to initialization, while keeping other modules fixed at the trained parameters, results in a large drop in the network's performance. Our analysis reveals interesting properties of the loss landscape which leads us to propose a complexity measure, called module criticality, based on the shape of the valleys that connect the initial and final values of the module parameters. We formulate how generalization relates to the module criticality, and show that this measure is able to explain the superior generalization performance of some architectures over others, whereas, earlier measures fail to do so.
Geom-GCN: Geometric Graph Convolutional Networks
Authors: Hongbin Pei, Bingzhe Wei, Kevin Chen-Chuan Chang, Yu Lei, Bo Yang
Published in: International Conference on Learning Representations 2020 (Main Conference Track), 2020

Abstract: Message-passing neural networks (MPNNs) have been successfully applied in a wide variety of applications in the real world. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent graph-structured data: losing the structural information of nodes in neighborhoods and lacking the ability to capture long-range dependencies in disassortative graphs. Few studies have noticed the weaknesses from different perspectives. From the observations on classical neural network and network geometry, we propose a novel geometric aggregation scheme for graph neural networks to overcome the two weaknesses.  The behind basic idea is the aggregation on a graph can benefit from a continuous space underlying the graph. The proposed aggregation scheme is permutation-invariant and consists of three modules, node embedding, structural neighborhood, and bi-level aggregation. We also present an implementation of the scheme in graph convolutional networks, termed Geom-GCN, to perform transductive learning on graphs. Experimental results show the proposed Geom-GCN achieved state-of-the-art performance on a wide range of open datasets of graphs.