ICLR 2017 Papers

Large computer-understandable proofs consist of millions of intermediate logical steps. The vast majority of such steps originate from manually selected and manually guided heuristics applied to intermediate goals. So far, machine learning has generally not been used to filter or generate these steps. In this paper, we introduce a new dataset based on Higher-Order Logic (HOL) proofs, for the purpose of developing new machine learning-based theorem-proving strategies. We make this dataset publicly available under the BSD license. We propose various machine learning tasks that can be performed on this dataset, and discuss their significance for theorem proving. We also benchmark a set of simple baseline machine learning models suited for the tasks (including logistic regression convolutional neural networks and recurrent neural networks). The results of our baseline models show the promise of applying machine learning to HOL theorem proving.

Neural networks that compute over graph structures are a natural fit for problems in a variety of domains, including natural language (parse trees) and cheminformatics (molecular graphs). However, since the computation graph has a different shape and size for every input, such networks do not directly support batched training or inference. They are also difficult to implement in popular deep learning libraries, which are based on static data-flow graphs. We introduce a technique called dynamic batching, which not only batches together operations between different input graphs of dissimilar shape, but also between different nodes within a single input graph. The technique allows us to create static graphs, using popular libraries, that emulate dynamic computation graphs of arbitrary shape and size. We further present a high-level library of compositional blocks that simplifies the creation of dynamic graph models. Using the library, we demonstrate concise and batch-wise parallel implementations for a variety of models from the literature.

Music theory studies the regularity of patterns in music to capture concepts underlying music styles and composers' decisions. This paper continues the study of building \emph{automatic theorists} (rovers) to learn and represent music concepts that lead to human interpretable knowledge and further lead to materials for educating people. Our previous work took a first step in algorithmic concept learning of tonal music, studying high-level representations (concepts) of symbolic music (scores) and extracting interpretable rules for composition. This paper further studies the representation \emph{hierarchy} through the learning process, and supports \emph{adaptive} 2D memory selection in the resulting language model. This leads to a deeper-level interpretability that expands from individual rules to a dynamic system of rules, making the entire rule learning process more cognitive. The outcome is a new rover, MUS-ROVER \RN{2}, trained on Bach's chorales, which outputs customizable syllabi for learning compositional rules. We demonstrate comparable results to our music pedagogy, while also presenting the differences and variations. In addition, we point out the rover's potential usages in style recognition and synthesis, as well as applications beyond music.

We introduce the "Energy-based Generative Adversarial Network" model (EBGAN) which views the discriminator as an energy function that attributes low energies to the regions near the data manifold and higher energies to other regions. Similar to the probabilistic GANs, a generator is seen as being trained to produce contrastive samples with minimal energies, while the discriminator is trained to assign high energies to these generated samples. Viewing the discriminator as an energy function allows to use a wide variety of architectures and loss functionals in addition to the usual binary classifier with logistic output. Among them, we show one instantiation of EBGAN framework as using an auto-encoder architecture, with the energy being the reconstruction error, in place of the discriminator. We show that this form of EBGAN exhibits more stable behavior than regular GANs during training. We also show that a single-scale architecture can be trained to generate high-resolution images.

We formulate learning of a binary autoencoder as a biconvex optimization problem which learns from the pairwise correlations between encoded and decoded bits. Among all possible algorithms that use this information, ours finds the autoencoder that reconstructs its inputs with worst-case optimal loss. The optimal decoder is a single layer of artificial neurons, emerging entirely from the minimax loss minimization, and with weights learned by convex optimization. All this is reflected in competitive experimental results, demonstrating that binary autoencoding can be done efficiently by conveying information in pairwise correlations in an optimal fashion.

We propose a statistical model applicable to character level language modeling and show that it is a good fit for both, program source code and English text. The model is parameterized by a program from a domain-specific language (DSL) that allows expressing non-trivial data dependencies. Learning is done in two phases: (i) we synthesize a program from the DSL, essentially learning a good representation for the data, and (ii) we learn parameters from the training data - the process is done via counting, as in simple language models such as n-gram. Our experiments show that the precision of our model is comparable to that of neural networks while sharing a number of advantages with n-gram models such as fast query time and the capability to quickly add and remove training data samples. Further, the model is parameterized by a program that can be manually inspected, understood and updated, addressing a major problem of neural networks.

This paper presents a novel form of policy gradient for model-free reinforcement learning (RL) with improved exploration properties. Current policy-based methods use entropy regularization to encourage undirected exploration of the reward landscape, which is ineffective in high dimensional spaces with sparse rewards. We propose a more directed exploration strategy that promotes exploration of under-appreciated reward regions. An action sequence is considered under-appreciated if its log-probability under the current policy under-estimates its resulting reward. The proposed exploration strategy is easy to implement, requiring only small modifications to the standard REINFORCE algorithm. We evaluate the approach on a set of algorithmic tasks that have long challenged RL methods. We find that our approach reduces hyper-parameter sensitivity and demonstrates significant improvements over baseline methods. Notably, the approach is able to solve a benchmark multi-digit addition task. To our knowledge, this is the first time that a pure RL method has solved addition using only reward feedback.

Probabilistic models with discrete latent variables naturally capture datasets composed of discrete classes. However, they are difficult to train efficiently, since backpropagation through discrete variables is generally not possible. We present a novel method to train a class of probabilistic models with discrete latent variables using the variational autoencoder framework, including backpropagation through the discrete latent variables. The associated class of probabilistic models comprises an undirected discrete component and a directed hierarchical continuous component. The discrete component captures the distribution over the disconnected smooth manifolds induced by the continuous component. As a result, this class of models efficiently learns both the class of objects in an image, and their specific realization in pixels, from unsupervised data; and outperforms state-of-the-art methods on the permutation-invariant MNIST, Omniglot, and Caltech-101 Silhouettes datasets.

Deep reinforcement learning (RL) can acquire complex behaviors from low-level inputs, such as images. However, real-world applications of such methods require generalizing to the vast variability of the real world. Deep networks are known to achieve remarkable generalization when provided with massive amounts of labeled data, but can we provide this breadth of experience to an RL agent, such as a robot? The robot might continuously learn as it explores the world around it, even while it is deployed and performing useful tasks. However, this learning requires access to a reward function, to tell the agent whether it is succeeding or failing at its task. Such reward functions are often hard to measure in the real world, especially in domains such as robotics and dialog systems, where the reward could depend on the unknown positions of objects or the emotional state of the user. On the other hand, it is often quite practical to provide the agent with reward functions in a limited set of situations, such as when a human supervisor is present, or in a controlled laboratory setting. Can we make use of this limited supervision, and still benefit from the breadth of experience an agent might collect in the unstructured real world? In this paper, we formalize this problem setting as semi-supervised reinforcement learning (SSRL), where the reward function can only be evaluated in a set of “labeled” MDPs, and the agent must generalize its behavior to the wide range of states it might encounter in a set of “unlabeled” MDPs, by using experience from both settings. Our proposed method infers the task objective in the unlabeled MDPs through an algorithm that resembles inverse RL, using the agent’s own prior experience in the labeled MDPs as a kind of demonstration of optimal behavior. We evaluate our method on challenging, continuous control tasks that require control directly from images, and show that our approach can improve the generalization of a learned deep neural network policy by using experience for which no reward function is available. We also show that our method outperforms direct supervised learning of the reward.

Algorithm design is a laborious process and often requires many iterations of ideation and validation. In this paper, we explore automating algorithm design and present a method to learn an optimization algorithm. We approach this problem from a reinforcement learning perspective and represent any particular optimization algorithm as a policy. We learn an optimization algorithm using guided policy search and demonstrate that the resulting algorithm outperforms existing hand-engineered algorithms in terms of convergence speed and/or the final objective value.

Learning a natural language interface for database tables is a challenging task that involves deep language understanding and multi-step reasoning. The task is often approached by mapping natural language queries to logical forms or programs that provide the desired response when executed on the database. To our knowledge, this paper presents the first weakly supervised, end-to-end neural network model to induce such programs on a real-world dataset. We enhance the objective function of Neural Programmer, a neural network with built-in discrete operations, and apply it on WikiTableQuestions, a natural language question-answering dataset. The model is trained end-to-end with weak supervision of question-answer pairs, and does not require domain-specific grammars, rules, or annotations that are key elements in previous approaches to program induction. The main experimental result in this paper is that a single Neural Programmer model achieves 34.2% accuracy using only 10,000 examples with weak supervision. An ensemble of 15 models, with a trivial combination technique, achieves 37.7% accuracy, which is competitive to the current state-of-the-art accuracy of 37.1% obtained by a traditional natural language semantic parser.

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian Optimization to adaptively select configurations, we focus on speeding up random search through adaptive resource allocation. We present Hyperband, a novel algorithm for hyperparameter optimization that is simple, flexible, and theoretically sound. Hyperband is a principled early-stoppping method that adaptively allocates a predefined resource, e.g., iterations, data samples or number of features, to randomly sampled configurations. We compare Hyperband with state-of-the-art Bayesian Optimization methods on several hyperparameter optimization problems. We observe that Hyperband can provide over an order of magnitude speedups over competitors on a variety of neural network and kernel-based learning problems.

This work explores hypernetworks: an approach of using one network, also known as a hypernetwork, to generate the weights for another network. We apply hypernetworks to generate adaptive weights for recurrent networks. In this case, hypernetworks can be viewed as a relaxed form of weight-sharing across layers. In our implementation, hypernetworks are are trained jointly with the main network in an end-to-end fashion. Our main result is that hypernetworks can generate non-shared weights for LSTM and achieve state-of-the-art results on a variety of sequence modelling tasks including character-level language modelling, handwriting generation and neural machine translation, challenging the weight-sharing paradigm for recurrent networks.

Dropout, a simple and effective way to train deep neural networks, has led to a number of impressive empirical successes and spawned many recent theoretical investigations. However, the gap between dropout’s training and inference phases, introduced due to tractability considerations, has largely remained under-appreciated. In this work, we first formulate dropout as a tractable approximation of some latent variable model, leading to a clean view of parameter sharing and enabling further theoretical analysis. Then, we introduce (approximate) expectation-linear dropout neural networks, whose inference gap we are able to formally characterize. Algorithmically, we show that our proposed measure of the inference gap can be used to regularize the standard dropout training objective, resulting in an explicit control of the gap. Our method is as simple and efficient as standard dropout. We further prove the upper bounds on the loss in accuracy due to expectation-linearization, describe classes of input distributions that expectation-linearize easily. Experiments on three image classification benchmark datasets demonstrate that reducing the inference gap can indeed improve the performance consistently.

This paper introduces a new large-scale music dataset, MusicNet, to serve as a source of supervision and evaluation of machine learning methods for music research. MusicNet consists of hundreds of freely-licensed classical music recordings by 10 composers, written for 11 instruments, together with instrument/note annotations resulting in over 1 million temporal labels on 34 hours of chamber music performances under various studio and microphone conditions. The paper defines a multi-label classification task to predict notes in musical recordings, along with an evaluation protocol, and benchmarks several machine learning architectures for this task: i) learning from spectrogram features; ii) end-to-end learning with a neural net; iii) end-to-end learning with a convolutional neural net. These experiments show that end-to-end models trained for note prediction learn frequency selective filters as a low-level representation of audio.

We propose a deep neural network for the prediction of future frames in natural video sequences. To effectively handle complex evolution of pixels in videos, we propose to decompose the motion and content, two key components generating dynamics in videos. Our model is built upon the Encoder-Decoder Convolutional Neural Network and Convolutional LSTM for pixel-level prediction, which independently capture the spatial layout of an image and the corresponding temporal dynamics. By independently modeling motion and content, predicting the next frame reduces to converting the extracted content features into the next frame content by the identified motion features, which simplifies the task of prediction. Our model is end-to-end trainable over multiple time steps, and naturally learns to decompose motion and content without separate training. We evaluate the pro- posed network architecture on human activity videos using KTH, Weizmann action, and UCF-101 datasets. We show state-of-the-art performance in comparison to recent approaches. To the best of our knowledge, this is the first end-to-end trainable network architecture with motion and content separation to model the spatio-temporal dynamics for pixel-level future prediction in natural videos.

A good dialogue agent should have the ability to interact with users by both responding to questions and by asking questions, and importantly to learn from both types of interactions. In this work, we explore this direction by designing a simulator and a set of synthetic tasks in the movie domain that allow such interactions between a learner and a teacher. We investigate how a learner can benefit from asking questions in both offline and online reinforcement learning settings, and demonstrate that the learner improves when asking questions. Our work represents a first step in developing such end-to-end learned interactive dialogue agents.

Categorical variables are a natural choice for representing discrete structure in the world. However, stochastic neural networks rarely use categorical latent variables due to the inability to backpropagate through samples. In this work, we present an efficient gradient estimator that replaces the non-differentiable sample from a categorical distribution with a differentiable sample from a novel Gumbel-Softmax distribution. This distribution has the essential property that it can be smoothly annealed into a categorical distribution. We show that our Gumbel-Softmax estimator outperforms state-of-the-art gradient estimators on structured output prediction and unsupervised generative modeling tasks with categorical latent variables, and enables large speedups on semi-supervised classification.

We study the problem of learning domain invariant representations for time series data while transferring the complex temporal latent dependencies between the domains. Our model termed as Variational Recurrent Adversarial Deep Domain Adaptation (VRADA) is built atop a variational recurrent neural network (VRNN) and trains adversarially to capture complex temporal relationships that are domain-invariant. This is (as far as we know) the first to capture and transfer temporal latent dependencies in multivariate time-series data. Through experiments on real-world multivariate healthcare time-series datasets, we empirically demonstrate that learning temporal dependencies helps our model's ability to create domain-invariant representations, allowing our model to outperform current state-of-the-art deep domain adaptation approaches.