Yan Duan

Roshan Rao, Nicholas Bhattacharya, Neil Thomas et al.

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current literature is fragmented when it comes to datasets and standardized evaluation techniques. To facilitate progress in this field, we introduce the Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology. We curate tasks into specific training, validation, and test splits to ensure that each task tests biologically relevant generalization that transfers to real-life scenarios. We benchmark a range of approaches to semi-supervised protein representation learning, which span recent work as well as canonical sequence learning techniques. We find that self-supervised pretraining is helpful for almost all models on all tasks, more than doubling performance in some cases. Despite this increase, in several cases features learned by self-supervised pretraining still lag behind features extracted by state-of-the-art non-neural techniques. This gap in performance suggests a huge opportunity for innovative architecture design and improved modeling paradigms that better capture the signal in biological sequences. TAPE will help the machine learning community focus effort on scientifically relevant problems. Toward this end, all data and code used to run these experiments are available at https://github.com/songlab-cal/tape.

Jonathan Ho, Xi Chen, Aravind Srinivas et al.

Flow-based generative models are powerful exact likelihood models with efficient sampling and inference. Despite their computational efficiency, flow-based models generally have much worse density modeling performance compared to state-of-the-art autoregressive models. In this paper, we investigate and improve upon three limiting design choices employed by flow-based models in prior work: the use of uniform noise for dequantization, the use of inexpressive affine flows, and the use of purely convolutional conditioning networks in coupling layers. Based on our findings, we propose Flow++, a new flow-based model that is now the state-of-the-art non-autoregressive model for unconditional density estimation on standard image benchmarks. Our work has begun to close the significant performance gap that has so far existed between autoregressive models and flow-based models. Our implementation is available at https://github.com/aravindsrinivas/flowpp

Yan Duan, Xi Chen, Rein Houthooft et al.

Recently, researchers have made significant progress combining the advances in deep learning for learning feature representations with reinforcement learning. Some notable examples include training agents to play Atari games based on raw pixel data and to acquire advanced manipulation skills using raw sensory inputs. However, it has been difficult to quantify progress in the domain of continuous control due to the lack of a commonly adopted benchmark. In this work, we present a benchmark suite of continuous control tasks, including classic tasks like cart-pole swing-up, tasks with very high state and action dimensionality such as 3D humanoid locomotion, tasks with partial observations, and tasks with hierarchical structure. We report novel findings based on the systematic evaluation of a range of implemented reinforcement learning algorithms. Both the benchmark and reference implementations are released at https://github.com/rllab/rllab in order to facilitate experimental reproducibility and to encourage adoption by other researchers.

Eric Liang, Zongheng Yang, Ion Stoica et al.

Deep autoregressive models compute point likelihood estimates of individual data points. However, many applications (i.e., database cardinality estimation) require estimating range densities, a capability that is under-explored by current neural density estimation literature. In these applications, fast and accurate range density estimates over high-dimensional data directly impact user-perceived performance. In this paper, we explore a technique, variable skipping, for accelerating range density estimation over deep autoregressive models. This technique exploits the sparse structure of range density queries to avoid sampling unnecessary variables during approximate inference. We show that variable skipping provides 10-100$\times$ efficiency improvements when targeting challenging high-quantile error metrics, enables complex applications such as text pattern matching, and can be realized via a simple data augmentation procedure without changing the usual maximum likelihood objective.

Zongheng Yang, Amog Kamsetty, Sifei Luan et al.

Query optimizers rely on accurate cardinality estimates to produce good execution plans. Despite decades of research, existing cardinality estimators are inaccurate for complex queries, due to making lossy modeling assumptions and not capturing inter-table correlations. In this work, we show that it is possible to learn the correlations across all tables in a database without any independence assumptions. We present NeuroCard, a join cardinality estimator that builds a single neural density estimator over an entire database. Leveraging join sampling and modern deep autoregressive models, NeuroCard makes no inter-table or inter-column independence assumptions in its probabilistic modeling. NeuroCard achieves orders of magnitude higher accuracy than the best prior methods (a new state-of-the-art result of 8.5$\times$ maximum error on JOB-light), scales to dozens of tables, while being compact in space (several MBs) and efficient to construct or update (seconds to minutes).

Zongheng Yang, Eric Liang, Amog Kamsetty et al.

Cardinality estimation has long been grounded in statistical tools for density estimation. To capture the rich multivariate distributions of relational tables, we propose the use of a new type of high-capacity statistical model: deep autoregressive models. However, direct application of these models leads to a limited estimator that is prohibitively expensive to evaluate for range or wildcard predicates. To produce a truly usable estimator, we develop a Monte Carlo integration scheme on top of autoregressive models that can efficiently handle range queries with dozens of dimensions or more. Like classical synopses, our estimator summarizes the data without supervision. Unlike previous solutions, we approximate the joint data distribution without any independence assumptions. Evaluated on real-world datasets and compared against real systems and dominant families of techniques, our estimator achieves single-digit multiplicative error at tail, an up to 90$\times$ accuracy improvement over the second best method, and is space- and runtime-efficient.

Cathy Wu, Aravind Rajeswaran, Yan Duan et al.

Policy gradient methods have enjoyed great success in deep reinforcement learning but suffer from high variance of gradient estimates. The high variance problem is particularly exasperated in problems with long horizons or high-dimensional action spaces. To mitigate this issue, we derive a bias-free action-dependent baseline for variance reduction which fully exploits the structural form of the stochastic policy itself and does not make any additional assumptions about the MDP. We demonstrate and quantify the benefit of the action-dependent baseline through both theoretical analysis as well as numerical results, including an analysis of the suboptimality of the optimal state-dependent baseline. The result is a computationally efficient policy gradient algorithm, which scales to high-dimensional control problems, as demonstrated by a synthetic 2000-dimensional target matching task. Our experimental results indicate that action-dependent baselines allow for faster learning on standard reinforcement learning benchmarks and high-dimensional hand manipulation and synthetic tasks. Finally, we show that the general idea of including additional information in baselines for improved variance reduction can be extended to partially observed and multi-agent tasks.

Bradly C. Stadie, Ge Yang, Rein Houthooft et al.

We consider the problem of exploration in meta reinforcement learning. Two new meta reinforcement learning algorithms are suggested: E-MAML and E-$\text{RL}^2$. Results are presented on a novel environment we call `Krazy World' and a set of maze environments. We show E-MAML and E-$\text{RL}^2$ deliver better performance on tasks where exploration is important.

Thanard Kurutach, Ignasi Clavera, Yan Duan et al.

Model-free reinforcement learning (RL) methods are succeeding in a growing number of tasks, aided by recent advances in deep learning. However, they tend to suffer from high sample complexity, which hinders their use in real-world domains. Alternatively, model-based reinforcement learning promises to reduce sample complexity, but tends to require careful tuning and to date have succeeded mainly in restrictive domains where simple models are sufficient for learning. In this paper, we analyze the behavior of vanilla model-based reinforcement learning methods when deep neural networks are used to learn both the model and the policy, and show that the learned policy tends to exploit regions where insufficient data is available for the model to be learned, causing instability in training. To overcome this issue, we propose to use an ensemble of models to maintain the model uncertainty and regularize the learning process. We further show that the use of likelihood ratio derivatives yields much more stable learning than backpropagation through time. Altogether, our approach Model-Ensemble Trust-Region Policy Optimization (ME-TRPO) significantly reduces the sample complexity compared to model-free deep RL methods on challenging continuous control benchmark tasks.

Carlos Florensa, Yan Duan, Pieter Abbeel

Deep reinforcement learning has achieved many impressive results in recent years. However, tasks with sparse rewards or long horizons continue to pose significant challenges. To tackle these important problems, we propose a general framework that first learns useful skills in a pre-training environment, and then leverages the acquired skills for learning faster in downstream tasks. Our approach brings together some of the strengths of intrinsic motivation and hierarchical methods: the learning of useful skill is guided by a single proxy reward, the design of which requires very minimal domain knowledge about the downstream tasks. Then a high-level policy is trained on top of these skills, providing a significant improvement of the exploration and allowing to tackle sparse rewards in the downstream tasks. To efficiently pre-train a large span of skills, we use Stochastic Neural Networks combined with an information-theoretic regularizer. Our experiments show that this combination is effective in learning a wide span of interpretable skills in a sample-efficient way, and can significantly boost the learning performance uniformly across a wide range of downstream tasks.

Yan Duan, Marcin Andrychowicz, Bradly C. Stadie et al.

Imitation learning has been commonly applied to solve different tasks in isolation. This usually requires either careful feature engineering, or a significant number of samples. This is far from what we desire: ideally, robots should be able to learn from very few demonstrations of any given task, and instantly generalize to new situations of the same task, without requiring task-specific engineering. In this paper, we propose a meta-learning framework for achieving such capability, which we call one-shot imitation learning. Specifically, we consider the setting where there is a very large set of tasks, and each task has many instantiations. For example, a task could be to stack all blocks on a table into a single tower, another task could be to place all blocks on a table into two-block towers, etc. In each case, different instances of the task would consist of different sets of blocks with different initial states. At training time, our algorithm is presented with pairs of demonstrations for a subset of all tasks. A neural net is trained that takes as input one demonstration and the current state (which initially is the initial state of the other demonstration of the pair), and outputs an action with the goal that the resulting sequence of states and actions matches as closely as possible with the second demonstration. At test time, a demonstration of a single instance of a new task is presented, and the neural net is expected to perform well on new instances of this new task. The use of soft attention allows the model to generalize to conditions and tasks unseen in the training data. We anticipate that by training this model on a much greater variety of tasks and settings, we will obtain a general system that can turn any demonstrations into robust policies that can accomplish an overwhelming variety of tasks. Videos available at https://bit.ly/nips2017-oneshot .

Sandy Huang, Nicolas Papernot, Ian Goodfellow et al.

Machine learning classifiers are known to be vulnerable to inputs maliciously constructed by adversaries to force misclassification. Such adversarial examples have been extensively studied in the context of computer vision applications. In this work, we show adversarial attacks are also effective when targeting neural network policies in reinforcement learning. Specifically, we show existing adversarial example crafting techniques can be used to significantly degrade test-time performance of trained policies. Our threat model considers adversaries capable of introducing small perturbations to the raw input of the policy. We characterize the degree of vulnerability across tasks and training algorithms, for a subclass of adversarial-example attacks in white-box and black-box settings. Regardless of the learned task or training algorithm, we observe a significant drop in performance, even with small adversarial perturbations that do not interfere with human perception. Videos are available at http://rll.berkeley.edu/adversarial.

Haoran Tang, Rein Houthooft, Davis Foote et al.

Count-based exploration algorithms are known to perform near-optimally when used in conjunction with tabular reinforcement learning (RL) methods for solving small discrete Markov decision processes (MDPs). It is generally thought that count-based methods cannot be applied in high-dimensional state spaces, since most states will only occur once. Recent deep RL exploration strategies are able to deal with high-dimensional continuous state spaces through complex heuristics, often relying on optimism in the face of uncertainty or intrinsic motivation. In this work, we describe a surprising finding: a simple generalization of the classic count-based approach can reach near state-of-the-art performance on various high-dimensional and/or continuous deep RL benchmarks. States are mapped to hash codes, which allows to count their occurrences with a hash table. These counts are then used to compute a reward bonus according to the classic count-based exploration theory. We find that simple hash functions can achieve surprisingly good results on many challenging tasks. Furthermore, we show that a domain-dependent learned hash code may further improve these results. Detailed analysis reveals important aspects of a good hash function: 1) having appropriate granularity and 2) encoding information relevant to solving the MDP. This exploration strategy achieves near state-of-the-art performance on both continuous control tasks and Atari 2600 games, hence providing a simple yet powerful baseline for solving MDPs that require considerable exploration.

Yan Duan, John Schulman, Xi Chen et al.

Deep reinforcement learning (deep RL) has been successful in learning sophisticated behaviors automatically; however, the learning process requires a huge number of trials. In contrast, animals can learn new tasks in just a few trials, benefiting from their prior knowledge about the world. This paper seeks to bridge this gap. Rather than designing a "fast" reinforcement learning algorithm, we propose to represent it as a recurrent neural network (RNN) and learn it from data. In our proposed method, RL$^2$, the algorithm is encoded in the weights of the RNN, which are learned slowly through a general-purpose ("slow") RL algorithm. The RNN receives all information a typical RL algorithm would receive, including observations, actions, rewards, and termination flags; and it retains its state across episodes in a given Markov Decision Process (MDP). The activations of the RNN store the state of the "fast" RL algorithm on the current (previously unseen) MDP. We evaluate RL$^2$ experimentally on both small-scale and large-scale problems. On the small-scale side, we train it to solve randomly generated multi-arm bandit problems and finite MDPs. After RL$^2$ is trained, its performance on new MDPs is close to human-designed algorithms with optimality guarantees. On the large-scale side, we test RL$^2$ on a vision-based navigation task and show that it scales up to high-dimensional problems.

Xi Chen, Diederik P. Kingma, Tim Salimans et al.

Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only global structure and discards information about detailed texture. In this paper, we present a simple but principled method to learn such global representations by combining Variational Autoencoder (VAE) with neural autoregressive models such as RNN, MADE and PixelRNN/CNN. Our proposed VAE model allows us to have control over what the global latent code can learn and , by designing the architecture accordingly, we can force the global latent code to discard irrelevant information such as texture in 2D images, and hence the VAE only "autoencodes" data in a lossy fashion. In addition, by leveraging autoregressive models as both prior distribution $p(z)$ and decoding distribution $p(x|z)$, we can greatly improve generative modeling performance of VAEs, achieving new state-of-the-art results on MNIST, OMNIGLOT and Caltech-101 Silhouettes density estimation tasks.

Xi Chen, Yan Duan, Rein Houthooft et al.

This paper describes InfoGAN, an information-theoretic extension to the Generative Adversarial Network that is able to learn disentangled representations in a completely unsupervised manner. InfoGAN is a generative adversarial network that also maximizes the mutual information between a small subset of the latent variables and the observation. We derive a lower bound to the mutual information objective that can be optimized efficiently, and show that our training procedure can be interpreted as a variation of the Wake-Sleep algorithm. Specifically, InfoGAN successfully disentangles writing styles from digit shapes on the MNIST dataset, pose from lighting of 3D rendered images, and background digits from the central digit on the SVHN dataset. It also discovers visual concepts that include hair styles, presence/absence of eyeglasses, and emotions on the CelebA face dataset. Experiments show that InfoGAN learns interpretable representations that are competitive with representations learned by existing fully supervised methods.

Rein Houthooft, Xi Chen, Yan Duan et al.

Scalable and effective exploration remains a key challenge in reinforcement learning (RL). While there are methods with optimality guarantees in the setting of discrete state and action spaces, these methods cannot be applied in high-dimensional deep RL scenarios. As such, most contemporary RL relies on simple heuristics such as epsilon-greedy exploration or adding Gaussian noise to the controls. This paper introduces Variational Information Maximizing Exploration (VIME), an exploration strategy based on maximization of information gain about the agent's belief of environment dynamics. We propose a practical implementation, using variational inference in Bayesian neural networks which efficiently handles continuous state and action spaces. VIME modifies the MDP reward function, and can be applied with several different underlying RL algorithms. We demonstrate that VIME achieves significantly better performance compared to heuristic exploration methods across a variety of continuous control tasks and algorithms, including tasks with very sparse rewards.

Chelsea Finn, Xin Yu Tan, Yan Duan et al.

Reinforcement learning provides a powerful and flexible framework for automated acquisition of robotic motion skills. However, applying reinforcement learning requires a sufficiently detailed representation of the state, including the configuration of task-relevant objects. We present an approach that automates state-space construction by learning a state representation directly from camera images. Our method uses a deep spatial autoencoder to acquire a set of feature points that describe the environment for the current task, such as the positions of objects, and then learns a motion skill with these feature points using an efficient reinforcement learning method based on local linear models. The resulting controller reacts continuously to the learned feature points, allowing the robot to dynamically manipulate objects in the world with closed-loop control. We demonstrate our method with a PR2 robot on tasks that include pushing a free-standing toy block, picking up a bag of rice using a spatula, and hanging a loop of rope on a hook at various positions. In each task, our method automatically learns to track task-relevant objects and manipulate their configuration with the robot's arm.