Learning representations for pixel-based control has garnered significant attention recently in reinforcement learning. A wide range of methods have been proposed to enable efficient learning, leading to sample complexities similar to those in the full state setting. However, moving beyond carefully curated pixel data sets (centered crop, appropriate lighting, clear background, etc.) remains challenging. In this paper, we adopt a more difficult setting, incorporating background distractors, as a first step towards addressing this challenge. We present a simple baseline approach that can learn meaningful representations with no metric-based learning, no data augmentations, no world-model learning, and no contrastive learning. We then analyze when and why previously proposed methods are likely to fail or reduce to the same performance as the baseline in this harder setting and why we should think carefully about extending such methods beyond the well curated environments. Our results show that finer categorization of benchmarks on the basis of characteristics like density of reward, planning horizon of the problem, presence of task-irrelevant components, etc., is crucial in evaluating algorithms. Based on these observations, we propose different metrics to consider when evaluating an algorithm on benchmark tasks. We hope such a data-centric view can motivate researchers to rethink representation learning when investigating how to best apply RL to real-world tasks.
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Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great challenge for supervised-learning ML models to generalize to the giant chemical space. In this work, we present MolCLR: Molecular Contrastive Learning of Representations via Graph Neural Networks (GNNs), a self-supervised learning framework that leverages large unlabeled data (~10M unique molecules). In MolCLR pre-training, we build molecule graphs and develop GNN encoders to learn differentiable representations. Three molecule graph augmentations are proposed: atom masking, bond deletion, and subgraph removal. A contrastive estimator maximizes the agreement of augmentations from the same molecule while minimizing the agreement of different molecules. Experiments show that our contrastive learning framework significantly improves the performance of GNNs on various molecular property benchmarks including both classification and regression tasks. Benefiting from pre-training on the large unlabeled database, MolCLR even achieves state-of-the-art on several challenging benchmarks after fine-tuning. Additionally, further investigations demonstrate that MolCLR learns to embed molecules into representations that can distinguish chemically reasonable molecular similarities.
Since real-world objects and their interactions are often multi-modal and multi-typed, heterogeneous networks have been widely used as a more powerful, realistic, and generic superclass of traditional homogeneous networks (graphs). Meanwhile, representation learning (\aka~embedding) has recently been intensively studied and shown effective for various network mining and analytical tasks. In this work, we aim to provide a unified framework to deeply summarize and evaluate existing research on heterogeneous network embedding (HNE), which includes but goes beyond a normal survey. Since there has already been a broad body of HNE algorithms, as the first contribution of this work, we provide a generic paradigm for the systematic categorization and analysis over the merits of various existing HNE algorithms. Moreover, existing HNE algorithms, though mostly claimed generic, are often evaluated on different datasets. Understandable due to the application favor of HNE, such indirect comparisons largely hinder the proper attribution of improved task performance towards effective data preprocessing and novel technical design, especially considering the various ways possible to construct a heterogeneous network from real-world application data. Therefore, as the second contribution, we create four benchmark datasets with various properties regarding scale, structure, attribute/label availability, and \etc.~from different sources, towards handy and fair evaluations of HNE algorithms. As the third contribution, we carefully refactor and amend the implementations and create friendly interfaces for 13 popular HNE algorithms, and provide all-around comparisons among them over multiple tasks and experimental settings.
This paper presents SimCLR: a simple framework for contrastive learning of visual representations. We simplify recently proposed contrastive self-supervised learning algorithms without requiring specialized architectures or a memory bank. In order to understand what enables the contrastive prediction tasks to learn useful representations, we systematically study the major components of our framework. We show that (1) composition of data augmentations plays a critical role in defining effective predictive tasks, (2) introducing a learnable nonlinear transformation between the representation and the contrastive loss substantially improves the quality of the learned representations, and (3) contrastive learning benefits from larger batch sizes and more training steps compared to supervised learning. By combining these findings, we are able to considerably outperform previous methods for self-supervised and semi-supervised learning on ImageNet. A linear classifier trained on self-supervised representations learned by SimCLR achieves 76.5% top-1 accuracy, which is a 7% relative improvement over previous state-of-the-art, matching the performance of a supervised ResNet-50. When fine-tuned on only 1% of the labels, we achieve 85.8% top-5 accuracy, outperforming AlexNet with 100X fewer labels.
Continual learning aims to improve the ability of modern learning systems to deal with non-stationary distributions, typically by attempting to learn a series of tasks sequentially. Prior art in the field has largely considered supervised or reinforcement learning tasks, and often assumes full knowledge of task labels and boundaries. In this work, we propose an approach (CURL) to tackle a more general problem that we will refer to as unsupervised continual learning. The focus is on learning representations without any knowledge about task identity, and we explore scenarios when there are abrupt changes between tasks, smooth transitions from one task to another, or even when the data is shuffled. The proposed approach performs task inference directly within the model, is able to dynamically expand to capture new concepts over its lifetime, and incorporates additional rehearsal-based techniques to deal with catastrophic forgetting. We demonstrate the efficacy of CURL in an unsupervised learning setting with MNIST and Omniglot, where the lack of labels ensures no information is leaked about the task. Further, we demonstrate strong performance compared to prior art in an i.i.d setting, or when adapting the technique to supervised tasks such as incremental class learning.
External knowledge is often useful for natural language understanding tasks. We introduce a contextual text representation model called Conceptual-Contextual (CC) embeddings, which incorporates structured knowledge into text representations. Unlike entity embedding methods, our approach encodes a knowledge graph into a context model. CC embeddings can be easily reused for a wide range of tasks just like pre-trained language models. Our model effectively encodes the huge UMLS database by leveraging semantic generalizability. Experiments on electronic health records (EHRs) and medical text processing benchmarks showed our model gives a major boost to the performance of supervised medical NLP tasks.
Fine-grained image classification is to recognize hundreds of subcategories belonging to the same basic-level category, which is a highly challenging task due to the quite subtle visual distinctions among similar subcategories. Most existing methods generally learn part detectors to discover discriminative regions for better performance. However, not all localized parts are beneficial and indispensable for classification, and the setting for number of part detectors relies heavily on prior knowledge as well as experimental results. As is known to all, when we describe the object of an image into text via natural language, we only focus on the pivotal characteristics, and rarely pay attention to common characteristics as well as the background areas. This is an involuntary transfer from human visual attention to textual attention, which leads to the fact that textual attention tells us how many and which parts are discriminative and significant. So textual attention of natural language descriptions could help us to discover visual attention in image. Inspired by this, we propose a visual-textual attention driven fine-grained representation learning (VTA) approach, and its main contributions are: (1) Fine-grained visual-textual pattern mining devotes to discovering discriminative visual-textual pairwise information for boosting classification through jointly modeling vision and text with generative adversarial networks (GANs), which automatically and adaptively discovers discriminative parts. (2) Visual-textual representation learning jointly combine visual and textual information, which preserves the intra-modality and inter-modality information to generate complementary fine-grained representation, and further improve classification performance. Experiments on the two widely-used datasets demonstrate the effectiveness of our VTA approach, which achieves the best classification accuracy.
Neural Network Based Reinforcement Learning for Audio-Visual Gaze Control in Human-Robot Interaction
This paper introduces a novel neural network-based reinforcement learning approach for robot gaze control. Our approach enables a robot to learn and to adapt its gaze control strategy for human-robot interaction neither with the use of external sensors nor with human supervision. The robot learns to focus its attention onto groups of people from its own audio-visual experiences, independently of the number of people, of their positions and of their physical appearances. In particular, we use a recurrent neural network architecture in combination with Q-learning to find an optimal action-selection policy; we pre-train the network using a simulated environment that mimics realistic scenarios that involve speaking/silent participants, thus avoiding the need of tedious sessions of a robot interacting with people. Our experimental evaluation suggests that the proposed method is robust against parameter estimation, i.e. the parameter values yielded by the method do not have a decisive impact on the performance. The best results are obtained when both audio and visual information is jointly used. Experiments with the Nao robot indicate that our framework is a step forward towards the autonomous learning of socially acceptable gaze behavior.
Although reinforcement learning methods can achieve impressive results in simulation, the real world presents two major challenges: generating samples is exceedingly expensive, and unexpected perturbations can cause proficient but narrowly-learned policies to fail at test time. In this work, we propose to learn how to quickly and effectively adapt online to new situations as well as to perturbations. To enable sample-efficient meta-learning, we consider learning online adaptation in the context of model-based reinforcement learning. Our approach trains a global model such that, when combined with recent data, the model can be be rapidly adapted to the local context. Our experiments demonstrate that our approach can enable simulated agents to adapt their behavior online to novel terrains, to a crippled leg, and in highly-dynamic environments.
Collecting training data from the physical world is usually time-consuming and even dangerous for fragile robots, and thus, recent advances in robot learning advocate the use of simulators as the training platform. Unfortunately, the reality gap between synthetic and real visual data prohibits direct migration of the models trained in virtual worlds to the real world. This paper proposes a modular architecture for tackling the virtual-to-real problem. The proposed architecture separates the learning model into a perception module and a control policy module, and uses semantic image segmentation as the meta representation for relating these two modules. The perception module translates the perceived RGB image to semantic image segmentation. The control policy module is implemented as a deep reinforcement learning agent, which performs actions based on the translated image segmentation. Our architecture is evaluated in an obstacle avoidance task and a target following task. Experimental results show that our architecture significantly outperforms all of the baseline methods in both virtual and real environments, and demonstrates a faster learning curve than them. We also present a detailed analysis for a variety of variant configurations, and validate the transferability of our modular architecture.
We address the problem of learning vector representations for entities and relations in Knowledge Graphs (KGs) for Knowledge Base Completion (KBC). This problem has received significant attention in the past few years and multiple methods have been proposed. Most of the existing methods in the literature use a predefined characteristic scoring function for evaluating the correctness of KG triples. These scoring functions distinguish correct triples (high score) from incorrect ones (low score). However, their performance vary across different datasets. In this work, we demonstrate that a simple neural network based score function can consistently achieve near start-of-the-art performance on multiple datasets. We also quantitatively demonstrate biases in standard benchmark datasets, and highlight the need to perform evaluation spanning various datasets.
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