OpenRaiser/Intern-Atlas huggingface dataset:
Adversarially robust transfer learning
Venue: Conference ICLR 2020
Year: 2020

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.
Dynamics-Aware Unsupervised Discovery of Skills
Venue: Conference ICLR 2020
Year: 2020

Conventionally, model-based reinforcement learning (MBRL) aims to learn a global model for the dynamics of the environment. A good model can potentially enable planning algorithms to generate a large variety of behaviors and solve diverse tasks. However, learning an accurate model for complex dynamical systems is difficult, and even then, the model might not generalize well outside the distribution of states on which it was trained. In this work, we combine model-based learning with model-free learning of primitives that make model-based planning easy. To that end, we aim to answer the question: how can we discover skills whose outcomes are easy to predict? We propose an unsupervised learning algorithm, Dynamics-Aware Discovery of Skills (DADS), which simultaneously discovers predictable behaviors and learns their dynamics. Our method can leverage continuous skill spaces, theoretically, allowing us to learn infinitely many behaviors even for high-dimensional state-spaces. We demonstrate that zero-shot planning in the learned latent space significantly outperforms standard MBRL and model-free goal-conditioned RL, can handle sparse-reward tasks, and substantially improves over prior hierarchical RL methods for unsupervised skill discovery.
Learning Execution through Neural Code fusion
Venue: Conference ICLR 2020
Year: 2020

As the performance of computer systems stagnates due to the end of Moore's Law, there is a need for new models that can understand and optimize the execution of general purpose code. While there is a growing body of work on using Graph Neural Networks (GNNs) to learn representations of source code, these representations do not understand how code dynamically executes. In this work, we propose a new approach to use GNNs to learn fused representations of general source code and its execution. Our approach defines a multi-task GNN over low-level representations of source code and program state (i.e., assembly code and dynamic memory states), converting complex source code constructs and complex data structures into a simpler, more uniform format. We show that this leads to improved performance over similar methods that do not use execution and it opens the door to applying GNN models to new tasks that would not be feasible from static code alone. As an illustration of this, we apply the new model to challenging dynamic tasks (branch prediction and prefetching) from the SPEC CPU benchmark suite, outperforming the state-of-the-art by 26% and 45% respectively. Moreover, we use the learned fused graph embeddings to demonstrate transfer learning with high performance on an indirectly related task (algorithm classification).
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation
Venue: Conference ICLR 2020
Year: 2020

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.
Weakly Supervised Disentanglement with Guarantees
Venue: Conference ICLR 2020
Year: 2020

Learning disentangled representations that correspond to factors of variation in real-world data is critical to interpretable and human-controllable machine learning. Recently, concerns about the viability of learning disentangled representations in a purely unsupervised manner has spurred a shift toward the incorporation of weak supervision. However, there is currently no formalism that identifies when and how weak supervision will guarantee disentanglement. To address this issue, we provide a theoretical framework to assist in analyzing the disentanglement guarantees (or lack thereof) conferred by weak supervision when coupled with learning algorithms based on distribution matching. We empirically verify the guarantees and limitations of several weak supervision methods (restricted labeling, match-pairing, and rank-pairing), demonstrating the predictive power and usefulness of our theoretical framework.
Mixed-curvature Variational Autoencoders
Venue: Conference ICLR 2020
Year: 2020

Euclidean geometry has historically been the typical "workhorse" 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.
Meta Reinforcement Learning with Autonomous Inference of Subtask Dependencies
Venue: Conference ICLR 2020
Year: 2020

We propose and address a novel few-shot RL problem, where a task is characterized by a subtask graph which describes a set of subtasks and their dependencies that are unknown to the agent. The agent needs to quickly adapt to the task over few episodes during adaptation phase to maximize the return in the test phase. Instead of directly learning a meta-policy, we develop a Meta-learner with Subtask Graph Inference(MSGI), which infers the latent parameter of the task by interacting with the environment and maximizes the return given the latent parameter. To facilitate learning, we adopt an intrinsic reward inspired by upper confidence bound (UCB) that encourages efficient exploration. Our experiment results on two grid-world domains and StarCraft II environments show that the proposed method is able to accurately infer the latent task parameter, and to adapt more efficiently than existing meta RL and hierarchical RL methods.
ES-MAML: Simple Hessian-Free Meta Learning
Venue: Conference ICLR 2020
Year: 2020

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.
Disentanglement by Nonlinear ICA with General Incompressible-flow Networks (GIN)
Venue: Conference ICLR 2020
Year: 2020

A central question of representation learning asks under which conditions it is possible to reconstruct the true latent variables of an arbitrarily complex generative process. Recent breakthrough work by Khemakhem et al. (2019) on nonlinear ICA has answered this question for a broad class of conditional generative processes. We extend this important result in a direction relevant for application to real-world data. First, we generalize the theory to the case of unknown intrinsic problem dimension and prove that in some special (but not very restrictive) cases, informative latent variables will be automatically separated from noise by an estimating model. Furthermore, the recovered informative latent variables will be in one-to-one correspondence with the true latent variables of the generating process, up to a trivial component-wise transformation. Second, we introduce a modification of the RealNVP invertible neural network architecture (Dinh et al. (2016)) which is particularly suitable for this type of problem: the General Incompressible-flow Network (GIN). Experiments on artificial data and EMNIST demonstrate that theoretical predictions are indeed verified in practice. In particular, we provide a detailed set of exactly 22 informative latent variables extracted from EMNIST.
Scale-Equivariant Steerable Networks
Venue: Conference ICLR 2020
Year: 2020

The effectiveness of Convolutional Neural Networks (CNNs) has been substantially attributed to their built-in property of translation equivariance. However, CNNs do not have embedded mechanisms to handle other types of transformations. In this work, we pay attention to scale changes, which regularly appear in various tasks due to the changing distances between the objects and the camera. First, we introduce the general theory for building scale-equivariant convolutional networks with steerable filters. We develop scale-convolution and generalize other common blocks to be scale-equivariant. We demonstrate the computational efficiency and numerical stability of the proposed method. We compare the proposed models to the previously developed methods for scale equivariance and local scale invariance. We demonstrate state-of-the-art results on MNIST-scale dataset and on STL-10 dataset in the supervised learning setting.
On the Equivalence between Positional Node Embeddings and Structural Graph Representations
Venue: Conference ICLR 2020
Year: 2020

This work provides the first unifying theoretical framework for node (positional) embeddings and structural graph representations, bridging methods like matrix factorization and graph neural networks. Using invariant theory, we show that the relationship between structural representations and node embeddings is analogous to that of a distribution and its samples. We prove that all tasks that can be performed by node embeddings can also be performed by structural representations and vice-versa. We also show that the concept of transductive and inductive learning is unrelated to node embeddings and graph representations, clearing another source of confusion in the literature. Finally, we introduce new practical guidelines to generating and using node embeddings, which fixes significant shortcomings of standard operating procedures used today.
Training Generative Adversarial Networks from Incomplete Observations using Factorised Discriminators
Venue: Conference ICLR 2020
Year: 2020

Generative adversarial networks (GANs) have shown great success in applications such as image generation and inpainting. However, they typically require large datasets, which are often not available, especially in the context of prediction tasks such as image segmentation that require labels. Therefore, methods such as the CycleGAN use more easily available unlabelled data, but do not offer a way to leverage additional labelled data for improved performance. To address this shortcoming, we show how to factorise the joint data distribution into a set of lower-dimensional distributions along with their dependencies. This allows splitting the discriminator in a GAN into multiple "sub-discriminators" that can be independently trained from incomplete observations. Their outputs can be combined to estimate the density ratio between the joint real and the generator distribution, which enables training generators as in the original GAN framework. We apply our method to image generation, image segmentation and audio source separation, and obtain improved performance over a standard GAN when additional incomplete training examples are available. For the Cityscapes segmentation task in particular, our method also improves accuracy by an absolute 14.9% over CycleGAN while using only 25 additional paired examples.
VL-BERT: Pre-training of Generic Visual-Linguistic Representations
Venue: Conference ICLR 2020
Year: 2020

We introduce a new pre-trainable generic representation for visual-linguistic tasks, called Visual-Linguistic BERT (VL-BERT for short). VL-BERT adopts the simple yet powerful Transformer model as the backbone, and extends it to take both visual and linguistic embedded features as input. In it, each element of the input is either of a word from the input sentence, or a region-of-interest (RoI) from the input image. It is designed to fit for most of the visual-linguistic downstream tasks. To better exploit the generic representation, we pre-train VL-BERT on the massive-scale Conceptual Captions dataset, together with text-only corpus. Extensive empirical analysis demonstrates that the pre-training procedure can better align the visual-linguistic clues and benefit the downstream tasks, such as visual commonsense reasoning, visual question answering and referring expression comprehension. It is worth noting that VL-BERT achieved the first place of single model on the leaderboard of the VCR benchmark. Code is released at \url{https://github.com/jackroos/VL-BERT}.
Compression based bound for non-compressed network: unified generalization error analysis of large compressible deep neural network
Venue: Conference ICLR 2020
Year: 2020

One of the biggest issues in deep learning theory is the generalization ability of networks with huge model size. The classical learning theory suggests that overparameterized models cause overfitting. However, practically used large deep models avoid overfitting, which is not well explained by the classical approaches. To resolve this issue, several attempts have been made. Among them, the compression based bound is one of the promising approaches. However, the compression based bound can be applied only to a compressed network, and it is not applicable to the non-compressed original network. In this paper, we give a unified frame-work that can convert compression based bounds to those for non-compressed original networks. The bound gives even better rate than the one for the compressed network by improving the bias term. By establishing the unified frame-work, we can obtain a data dependent generalization error bound which gives a tighter evaluation than the data independent ones.
Probability Calibration for Knowledge Graph Embedding Models
Venue: Conference ICLR 2020
Year: 2020

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.
Pure and Spurious Critical Points: a Geometric Study of Linear Networks
Venue: Conference ICLR 2020
Year: 2020

The critical locus of the loss function of a neural network is determined by the geometry of the functional space and by the parameterization of this space by the network's weights. We introduce a natural distinction between pure critical points, which only depend on the functional space, and spurious critical points, which arise from the parameterization. We apply this perspective to revisit and extend the literature on the loss function of linear neural networks. For this type of network, the functional space is either the set of all linear maps from input to output space, or a determinantal variety, i.e., a set of linear maps with bounded rank. We use geometric properties of determinantal varieties to derive new results on the landscape of linear networks with different loss functions and different parameterizations. Our analysis clearly illustrates that the absence of "bad" local minima in the loss landscape of linear networks is due to two distinct phenomena that apply in different settings: it is true for arbitrary smooth convex losses in the case of architectures that can express all linear maps ("filling architectures") but it holds only for the quadratic loss when the functional space is a determinantal variety ("non-filling architectures"). Without any assumption on the architecture, smooth convex losses may lead to landscapes with many bad minima.
Meta-Dataset: A Dataset of Datasets for Learning to Learn from Few Examples
Venue: Conference ICLR 2020
Year: 2020

Few-shot classification refers to learning a classifier for new classes given only a few examples. While a plethora of models have emerged to tackle it, we find the procedure and datasets that are used to assess their progress lacking. To address this limitation, we propose Meta-Dataset: a new benchmark for training and evaluating models that is large-scale, consists of diverse datasets, and presents more realistic tasks. We experiment with popular baselines and meta-learners on Meta-Dataset, along with a competitive method that we propose. We analyze performance as a function of various characteristics of test tasks and examine the models' ability to leverage diverse training sources for improving their generalization. We also propose a new set of baselines for quantifying the benefit of meta-learning in Meta-Dataset. Our extensive experimentation has uncovered important research challenges and we hope to inspire work in these directions.
Capsules with Inverted Dot-Product Attention Routing
Venue: Conference ICLR 2020
Year: 2020

We introduce a new routing algorithm for capsule networks, in which a child capsule is routed to a parent based only on agreement between the parent's state and the child's vote. The new mechanism 1) designs routing via inverted dot-product attention; 2) imposes Layer Normalization as normalization; and 3) replaces sequential iterative routing with concurrent iterative routing. When compared to previously proposed routing algorithms, our method improves performance on benchmark datasets such as CIFAR-10 and CIFAR-100, and it performs at-par with a powerful CNN (ResNet-18) with 4x fewer parameters. On a different task of recognizing digits from overlayed digit images, the proposed capsule model performs favorably against CNNs given the same number of layers and neurons per layer. We believe that our work raises the possibility of applying capsule networks to complex real-world tasks. Our code is publicly available at: https://github.com/apple/ml-capsules-inverted-attention-routing An alternative implementation is available at: https://github.com/yaohungt/Capsules-Inverted-Attention-Routing/blob/master/README.md
On Mutual Information Maximization for Representation Learning
Venue: Conference ICLR 2020
Year: 2020

Many recent methods for unsupervised or self-supervised representation learning train feature extractors by maximizing an estimate of the mutual information (MI) between different views of the data. This comes with several immediate problems: For example, MI is notoriously hard to estimate, and using it as an objective for representation learning may lead to highly entangled representations due to its invariance under arbitrary invertible transformations. Nevertheless, these methods have been repeatedly shown to excel in practice. In this paper we argue, and provide empirical evidence, that the success of these methods cannot be attributed to the properties of MI alone, and that they strongly depend on the inductive bias in both the choice of feature extractor architectures and the parametrization of the employed MI estimators. Finally, we establish a connection to deep metric learning and argue that this interpretation may be a plausible explanation for the success of the recently introduced methods.
BlockSwap: Fisher-guided Block Substitution for Network Compression on a Budget
Venue: Conference ICLR 2020
Year: 2020

The desire to map neural networks to varying-capacity devices has led to the development of a wealth of compression techniques, many of which involve replacing standard convolutional blocks in a large network with cheap alternative blocks. However, not all blocks are created equally; for a required compute budget there may exist a potent combination of many different cheap blocks, though exhaustively searching for such a combination is prohibitively expensive. In this work, we develop BlockSwap: a fast algorithm for choosing networks with interleaved block types by passing a single minibatch of training data through randomly initialised networks and gauging their Fisher potential. These networks can then be used as students and distilled with the original large network as a teacher. We demonstrate the effectiveness of the chosen networks across CIFAR-10 and ImageNet for classification, and COCO for detection, and provide a comprehensive ablation study of our approach. BlockSwap quickly explores possible block configurations using a simple architecture ranking system, yielding highly competitive networks in orders of magnitude less time than most architecture search techniques (e.g. under 5 minutes on a single GPU for CIFAR-10). Code is available at https://github.com/BayesWatch/pytorch-blockswap.