Yoshua Bengio

Bio: Yoshua Bengio is an academic researcher from Université de Montréal. The author has contributed to research in topics: Artificial neural network & Deep learning. The author has an hindex of 202, co-authored 1033 publications receiving 420313 citations. Previous affiliations of Yoshua Bengio include McGill University & Centre de Recherches Mathématiques.

Big Neural Networks Waste Capacity

Abstract: This article exposes the failure of some big neural networks to leverage added capacity to reduce underfitting. Past research suggest diminishing returns when increasing the size of neural networks. Our experiments on ImageNet LSVRC-2010 show that this may be due to the fact there are highly diminishing returns for capacity in terms of training error, leading to underfitting. This suggests that the optimization method - first order gradient descent - fails at this regime. Directly attacking this problem, either through the optimization method or the choices of parametrization, may allow to improve the generalization error on large datasets, for which a large capacity is required.

On Catastrophic Interference in Atari 2600 Games

Abstract: Model-free deep reinforcement learning is sample inefficient. One hypothesis -- speculated, but not confirmed -- is that catastrophic interference within an environment inhibits learning. We test this hypothesis through a large-scale empirical study in the Arcade Learning Environment (ALE) and, indeed, find supporting evidence. We show that interference causes performance to plateau; the network cannot train on segments beyond the plateau without degrading the policy used to reach there. By synthetically controlling for interference, we demonstrate performance boosts across architectures, learning algorithms and environments. A more refined analysis shows that learning one segment of a game often increases prediction errors elsewhere. Our study provides a clear empirical link between catastrophic interference and sample efficiency in reinforcement learning.

The Statistical Inefficiency of Sparse Coding for Images (or, One Gabor to Rule them All)

Abstract: Sparse coding is a proven principle for learning compact representations of images. However, sparse coding by itself often leads to very redundant dictionaries. With images, this often takes the form of similar edge detectors which are replicated many times at various positions, scales and orientations. An immediate consequence of this observation is that the estimation of the dictionary components is not statistically efficient. We propose a factored model in which factors of variation (e.g. position, scale and orientation) are untangled from the underlying Gabor-like filters. There is so much redundancy in sparse codes for natural images that our model requires only a single dictionary element (a Gabor-like edge detector) to outperform standard sparse coding. Our model scales naturally to arbitrary-sized images while achieving much greater statistical efficiency during learning. We validate this claim with a number of experiments showing, in part, superior compression of out-of-sample data using a sparse coding dictionary learned with only a single image.

RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design.

Abstract: De novo molecule generation often results in chemically unfeasible molecules. A natural idea to mitigate this problem is to bias the search process towards more easily synthesizable molecules using a proxy for synthetic accessibility. However, using currently available proxies still results in highly unrealistic compounds. We investigate the feasibility of training deep graph neural networks to approximate the outputs of a retrosynthesis planning software, and their use to bias the search process. We evaluate our method on a benchmark involving searching for drug-like molecules with antibiotic properties. Compared to enumerating over five million existing molecules from the ZINC database, our approach finds molecules predicted to be more likely to be antibiotics while maintaining good drug-like properties and being easily synthesizable. Importantly, our deep neural network can successfully filter out hard to synthesize molecules while achieving a $10^5$ times speed-up over using the retrosynthesis planning software.

Reinforcement Learning with Competitive Ensembles of Information-Constrained Primitives

Abstract: Reinforcement learning agents that operate in diverse and complex environments can benefit from the structured decomposition of their behavior. Often, this is addressed in the context of hierarchical reinforcement learning, where the aim is to decompose a policy into lower-level primitives or options, and a higher-level meta-policy that triggers the appropriate behaviors for a given situation. However, the meta-policy must still produce appropriate decisions in all states. In this work, we propose a policy design that decomposes into primitives, similarly to hierarchical reinforcement learning, but without a high-level meta-policy. Instead, each primitive can decide for themselves whether they wish to act in the current state. We use an information-theoretic mechanism for enabling this decentralized decision: each primitive chooses how much information it needs about the current state to make a decision and the primitive that requests the most information about the current state acts in the world. The primitives are regularized to use as little information as possible, which leads to natural competition and specialization. We experimentally demonstrate that this policy architecture improves over both flat and hierarchical policies in terms of generalization.

Deep Residual Learning for Image Recognition

Abstract: Deeper neural networks are more difficult to train. We present a residual learning framework to ease the training of networks that are substantially deeper than those used previously. We explicitly reformulate the layers as learning residual functions with reference to the layer inputs, instead of learning unreferenced functions. We provide comprehensive empirical evidence showing that these residual networks are easier to optimize, and can gain accuracy from considerably increased depth. On the ImageNet dataset we evaluate residual nets with a depth of up to 152 layers—8× deeper than VGG nets [40] but still having lower complexity. An ensemble of these residual nets achieves 3.57% error on the ImageNet test set. This result won the 1st place on the ILSVRC 2015 classification task. We also present analysis on CIFAR-10 with 100 and 1000 layers. The depth of representations is of central importance for many visual recognition tasks. Solely due to our extremely deep representations, we obtain a 28% relative improvement on the COCO object detection dataset. Deep residual nets are foundations of our submissions to ILSVRC & COCO 2015 competitions1, where we also won the 1st places on the tasks of ImageNet detection, ImageNet localization, COCO detection, and COCO segmentation.

Adam: A Method for Stochastic Optimization

Abstract: We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

Long short-term memory

Abstract: Learning to store information over extended time intervals by recurrent backpropagation takes a very long time, mostly because of insufficient, decaying error backflow. We briefly review Hochreiter's (1991) analysis of this problem, then address it by introducing a novel, efficient, gradient based method called long short-term memory (LSTM). Truncating the gradient where this does not do harm, LSTM can learn to bridge minimal time lags in excess of 1000 discrete-time steps by enforcing constant error flow through constant error carousels within special units. Multiplicative gate units learn to open and close access to the constant error flow. LSTM is local in space and time; its computational complexity per time step and weight is O. 1. Our experiments with artificial data involve local, distributed, real-valued, and noisy pattern representations. In comparisons with real-time recurrent learning, back propagation through time, recurrent cascade correlation, Elman nets, and neural sequence chunking, LSTM leads to many more successful runs, and learns much faster. LSTM also solves complex, artificial long-time-lag tasks that have never been solved by previous recurrent network algorithms.

Deep learning

Abstract: Deep learning allows computational models that are composed of multiple processing layers to learn representations of data with multiple levels of abstraction. These methods have dramatically improved the state-of-the-art in speech recognition, visual object recognition, object detection and many other domains such as drug discovery and genomics. Deep learning discovers intricate structure in large data sets by using the backpropagation algorithm to indicate how a machine should change its internal parameters that are used to compute the representation in each layer from the representation in the previous layer. Deep convolutional nets have brought about breakthroughs in processing images, video, speech and audio, whereas recurrent nets have shone light on sequential data such as text and speech.

Deep Residual Learning for Image Recognition

Abstract: Deeper neural networks are more difficult to train. We present a residual learning framework to ease the training of networks that are substantially deeper than those used previously. We explicitly reformulate the layers as learning residual functions with reference to the layer inputs, instead of learning unreferenced functions. We provide comprehensive empirical evidence showing that these residual networks are easier to optimize, and can gain accuracy from considerably increased depth. On the ImageNet dataset we evaluate residual nets with a depth of up to 152 layers---8x deeper than VGG nets but still having lower complexity. An ensemble of these residual nets achieves 3.57% error on the ImageNet test set. This result won the 1st place on the ILSVRC 2015 classification task. We also present analysis on CIFAR-10 with 100 and 1000 layers. The depth of representations is of central importance for many visual recognition tasks. Solely due to our extremely deep representations, we obtain a 28% relative improvement on the COCO object detection dataset. Deep residual nets are foundations of our submissions to ILSVRC & COCO 2015 competitions, where we also won the 1st places on the tasks of ImageNet detection, ImageNet localization, COCO detection, and COCO segmentation.