ICLR 2019 Papers

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

Efficient exploration remains a major challenge for reinforcement learning. One reason is that the variability of the returns often depends on the current state and action, and is therefore heteroscedastic. Classical exploration strategies such as upper confidence bound algorithms and Thompson sampling fail to appropriately account for heteroscedasticity, even in the bandit setting. Motivated by recent findings that address this issue in bandits, we propose to use Information-Directed Sampling (IDS) for exploration in reinforcement learning. As our main contribution, we build on recent advances in distributional reinforcement learning and propose a novel, tractable approximation of IDS for deep Q-learning. The resulting exploration strategy explicitly accounts for both parametric uncertainty and heteroscedastic observation noise. We evaluate our method on Atari games and demonstrate a significant improvement over alternative approaches.

Due to its potential to improve programmer productivity and software quality, automated program repair has been an active topic of research. Newer techniques harness neural networks to learn directly from examples of buggy programs and their fixes. In this work, we consider a recently identified class of bugs called variable-misuse bugs. The state-of-the-art solution for variable misuse enumerates potential fixes for all possible bug locations in a program, before selecting the best prediction. We show that it is beneficial to train a model that jointly and directly localizes and repairs variable-misuse bugs. We present multi-headed pointer networks for this purpose, with one head each for localization and repair. The experimental results show that the joint model significantly outperforms an enumerative solution that uses a pointer based model for repair alone.

Due to the sharp increase in the severity of the threat imposed by software vulnerabilities, the detection of vulnerabilities in binary code has become an important concern in the software industry, such as the embedded systems industry, and in the field of computer security. However, most of the work in binary code vulnerability detection has relied on handcrafted features which are manually chosen by a select few, knowledgeable domain experts. In this paper, we attempt to alleviate this severe binary vulnerability detection bottleneck by leveraging recent advances in deep learning representations and propose the Maximal Divergence Sequential Auto-Encoder. In particular, latent codes representing vulnerable and non-vulnerable binaries are encouraged to be maximally divergent, while still being able to maintain crucial information from the original binaries. We conducted extensive experiments to compare and contrast our proposed methods with the baselines, and the results show that our proposed methods outperform the baselines in all performance measures of interest.

Deep learning models for graphs have advanced the state of the art on many tasks. Despite their recent success, little is known about their robustness. We investigate training time attacks on graph neural networks for node classification that perturb the discrete graph structure. Our core principle is to use meta-gradients to solve the bilevel problem underlying training-time attacks, essentially treating the graph as a hyperparameter to optimize. Our experiments show that small graph perturbations consistently lead to a strong decrease in performance for graph convolutional networks, and even transfer to unsupervised embeddings. Remarkably, the perturbations created by our algorithm can misguide the graph neural networks such that they perform worse than a simple baseline that ignores all relational information. Our attacks do not assume any knowledge about or access to the target classifiers.

We consider the problem of training speech recognition systems without using any labeled data, under the assumption that the learner can only access to the input utterances and a phoneme language model estimated from a non-overlapping corpus. We propose a fully unsupervised learning algorithm that alternates between solving two sub-problems: (i) learn a phoneme classifier for a given set of phoneme segmentation boundaries, and (ii) refining the phoneme boundaries based on a given classifier. To solve the first sub-problem, we introduce a novel unsupervised cost function named Segmental Empirical Output Distribution Matching, which generalizes the work in (Liu et al., 2017) to segmental structures. For the second sub-problem, we develop an approximate MAP approach to refining the boundaries obtained from Wang et al. (2017). Experimental results on TIMIT dataset demonstrate the success of this fully unsupervised phoneme recognition system, which achieves a phone error rate (PER) of 41.6%. Although it is still far away from the state-of-the-art supervised systems, we show that with oracle boundaries and matching language model, the PER could be improved to 32.5%. This performance approaches the supervised system of the same model architecture, demonstrating the great potential of the proposed method.

Clustering methods and latent variable models are often used as tools for pattern mining and discovery of latent structure in time-series data. In this work, we consider the problem of learning procedural abstractions from possibly high-dimensional observational sequences, such as video demonstrations. Given a dataset of time-series, the goal is to identify the latent sequence of steps common to them and label each time-series with the temporal extent of these procedural steps. We introduce a hierarchical Bayesian model called Prism that models the realization of a common procedure across multiple time-series, and can recover procedural abstractions with supervision. We also bring to light two characteristics ignored by traditional evaluation criteria when evaluating latent temporal labelings (temporal clusterings) -- segment structure, and repeated structure -- and develop new metrics tailored to their evaluation. We demonstrate that our metrics improve interpretability and ease of analysis for evaluation on benchmark time-series datasets. Results on benchmark and video datasets indicate that Prism outperforms standard sequence models as well as state-of-the-art techniques in identifying procedural abstractions.

Transfer learning aims to solve the data sparsity for a specific domain by applying information of another domain. Given a sequence (e.g. a natural language sentence), the transfer learning, usually enabled by recurrent neural network (RNN), represent the sequential information transfer. RNN uses a chain of repeating cells to model the sequence data. However, previous studies of neural network based transfer learning simply transfer the information across the whole layers, which are unfeasible for seq2seq and sequence labeling. Meanwhile, such layer-wise transfer learning mechanisms also lose the fine-grained cell-level information from the source domain. In this paper, we proposed the aligned recurrent transfer, ART, to achieve cell-level information transfer. ART is in a recurrent manner that different cells share the same parameters. Besides transferring the corresponding information at the same position, ART transfers information from all collocated words in the source domain. This strategy enables ART to capture the word collocation across domains in a more flexible way. We conducted extensive experiments on both sequence labeling tasks (POS tagging, NER) and sentence classification (sentiment analysis). ART outperforms the state-of-the-arts over all experiments.

Most distributed machine learning (ML) systems store a copy of the model parameters locally on each machine to minimize network communication. In practice, in order to reduce synchronization waiting time, these copies of the model are not necessarily updated in lock-step, and can become stale. Despite much development in large-scale ML, the effect of staleness on the learning efficiency is inconclusive, mainly because it is challenging to control or monitor the staleness in complex distributed environments. In this work, we study the convergence behaviors of a wide array of ML models and algorithms under delayed updates. Our extensive experiments reveal the rich diversity of the effects of staleness on the convergence of ML algorithms and offer insights into seemingly contradictory reports in the literature. The empirical findings also inspire a new convergence analysis of SGD in non-convex optimization under staleness, matching the best-known convergence rate of O(1/\sqrt{T}).

Stochastic gradient descent (SGD) has been found to be surprisingly effective in training a variety of deep neural networks. However, there is still a lack of understanding on how and why SGD can train these complex networks towards a global minimum. In this study, we establish the convergence of SGD to a global minimum for nonconvex optimization problems that are commonly encountered in neural network training. Our argument exploits the following two important properties: 1) the training loss can achieve zero value (approximately), which has been widely observed in deep learning; 2) SGD follows a star-convex path, which is verified by various experiments in this paper. In such a context, our analysis shows that SGD, although has long been considered as a randomized algorithm, converges in an intrinsically deterministic manner to a global minimum.

We study the problem of learning to map, in an unsupervised way, between domains $A$ and $B$, such that the samples $\vb \in B$ contain all the information that exists in samples $\va\in A$ and some additional information. For example, ignoring occlusions, $B$ can be people with glasses, $A$ people without, and the glasses, would be the added information. When mapping a sample $\va$ from the first domain to the other domain, the missing information is replicated from an independent reference sample $\vb\in B$. Thus, in the above example, we can create, for every person without glasses a version with the glasses observed in any face image. Our solution employs a single two-pathway encoder and a single decoder for both domains. The common part of the two domains and the separate part are encoded as two vectors, and the separate part is fixed at zero for domain $A$. The loss terms are minimal and involve reconstruction losses for the two domains and a domain confusion term. Our analysis shows that under mild assumptions, this architecture, which is much simpler than the literature guided-translation methods, is enough to ensure disentanglement between the two domains. We present convincing results in a few visual domains, such as no-glasses to glasses, adding facial hair based on a reference image, etc.

Deep Neural Networks (DNNs) are increasingly deployed in highly energy-constrained environments such as autonomous drones and wearable devices while at the same time must operate in real-time. Therefore, reducing the energy consumption has become a major design consideration in DNN training. This paper proposes the first end-to-end DNN training framework that provides quantitative energy consumption guarantees via weighted sparse projection and input masking. The key idea is to formulate the DNN training as an optimization problem in which the energy budget imposes a previously unconsidered optimization constraint. We integrate the quantitative DNN energy estimation into the DNN training process to assist the constrained optimization. We prove that an approximate algorithm can be used to efficiently solve the optimization problem. Compared to the best prior energy-saving techniques, our framework trains DNNs that provide higher accuracies under same or lower energy budgets.

The high-quality node embeddings learned from the Graph Neural Networks (GNNs) have been applied to a wide range of node-based applications and some of them have achieved state-of-the-art (SOTA) performance. However, when applying node embeddings learned from GNNs to generate graph embeddings, the scalar node representation may not suffice to preserve the node/graph properties efficiently, resulting in sub-optimal graph embeddings. Inspired by the Capsule Neural Network (CapsNet), we propose the Capsule Graph Neural Network (CapsGNN), which adopts the concept of capsules to address the weakness in existing GNN-based graph embeddings algorithms. By extracting node features in the form of capsules, routing mechanism can be utilized to capture important information at the graph level. As a result, our model generates multiple embeddings for each graph to capture graph properties from different aspects. The attention module incorporated in CapsGNN is used to tackle graphs with various sizes which also enables the model to focus on critical parts of the graphs. Our extensive evaluations with 10 graph-structured datasets demonstrate that CapsGNN has a powerful mechanism that operates to capture macroscopic properties of the whole graph by data-driven. It outperforms other SOTA techniques on several graph classification tasks, by virtue of the new instrument.

Stability is a key aspect of data analysis. In many applications, the natural notion of stability is geometric, as illustrated for example in computer vision. Scattering transforms construct deep convolutional representations which are certified stable to input deformations. This stability to deformations can be interpreted as stability with respect to changes in the metric structure of the domain. In this work, we show that scattering transforms can be generalized to non-Euclidean domains using diffusion wavelets, while preserving a notion of stability with respect to metric changes in the domain, measured with diffusion maps. The resulting representation is stable to metric perturbations of the domain while being able to capture ''high-frequency'' information, akin to the Euclidean Scattering.

Convolutional Neural Networks (CNNs) are commonly thought to recognise objects by learning increasingly complex representations of object shapes. Some recent studies suggest a more important role of image textures. We here put these conflicting hypotheses to a quantitative test by evaluating CNNs and human observers on images with a texture-shape cue conflict. We show that ImageNet-trained CNNs are strongly biased towards recognising textures rather than shapes, which is in stark contrast to human behavioural evidence and reveals fundamentally different classification strategies. We then demonstrate that the same standard architecture (ResNet-50) that learns a texture-based representation on ImageNet is able to learn a shape-based representation instead when trained on 'Stylized-ImageNet', a stylized version of ImageNet. This provides a much better fit for human behavioural performance in our well-controlled psychophysical lab setting (nine experiments totalling 48,560 psychophysical trials across 97 observers) and comes with a number of unexpected emergent benefits such as improved object detection performance and previously unseen robustness towards a wide range of image distortions, highlighting advantages of a shape-based representation.

Despite existing work on ensuring generalization of neural networks in terms of scale sensitive complexity measures, such as norms, margin and sharpness, these complexity measures do not offer an explanation of why neural networks generalize better with over-parametrization. In this work we suggest a novel complexity measure based on unit-wise capacities resulting in a tighter generalization bound for two layer ReLU networks. Our capacity bound correlates with the behavior of test error with increasing network sizes (within the range reported in the experiments), and could partly explain the improvement in generalization with over-parametrization. We further present a matching lower bound for the Rademacher complexity that improves over previous capacity lower bounds for neural networks.

Several recent works have developed methods for training classifiers that are certifiably robust against norm-bounded adversarial perturbations. These methods assume that all the adversarial transformations are equally important, which is seldom the case in real-world applications. We advocate for cost-sensitive robustness as the criteria for measuring the classifier's performance for tasks where some adversarial transformation are more important than others. We encode the potential harm of each adversarial transformation in a cost matrix, and propose a general objective function to adapt the robust training method of Wong & Kolter (2018) to optimize for cost-sensitive robustness. Our experiments on simple MNIST and CIFAR10 models with a variety of cost matrices show that the proposed approach can produce models with substantially reduced cost-sensitive robust error, while maintaining classification accuracy.

We present a simple neural model that given a formula and a property tries to answer the question whether the formula has the given property, for example whether a propositional formula is always true. The structure of the formula is captured by a feedforward neural network recursively built for the given formula in a top-down manner. The results of this network are then processed by two recurrent neural networks. One of the interesting aspects of our model is how propositional atoms are treated. For example, the model is insensitive to their names, it only matters whether they are the same or distinct.

The Boltzmann distribution is a natural model for many systems, from brains to materials and biomolecules, but is often of limited utility for fitting data because Monte Carlo algorithms are unable to simulate it in available time. This gap between the expressive capabilities and sampling practicalities of energy-based models is exemplified by the protein folding problem, since energy landscapes underlie contemporary knowledge of protein biophysics but computer simulations are challenged to fold all but the smallest proteins from first principles. In this work we aim to bridge the gap between the expressive capacity of energy functions and the practical capabilities of their simulators by using an unrolled Monte Carlo simulation as a model for data. We compose a neural energy function with a novel and efficient simulator based on Langevin dynamics to build an end-to-end-differentiable model of atomic protein structure given amino acid sequence information. We introduce techniques for stabilizing backpropagation under long roll-outs and demonstrate the model's capacity to make multimodal predictions and to, in some cases, generalize to unobserved protein fold types when trained on a large corpus of protein structures.