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Maximizing acquisition functions for Bayesian optimization

Neural Information Processing Systems

Bayesian optimization is a sample-efficient approach to global optimization that relies on theoretically motivated value heuristics (acquisition functions) to guide its search process. Fully maximizing acquisition functions produces the Bayes' decision rule, but this ideal is difficult to achieve since these functions are frequently non-trivial to optimize. This statement is especially true when evaluating queries in parallel, where acquisition functions are routinely non-convex, high-dimensional, and intractable. We first show that acquisition functions estimated via Monte Carlo integration are consistently amenable to gradient-based optimization. Subsequently, we identify a common family of acquisition functions, including EI and UCB, whose characteristics not only facilitate but justify use of greedy approaches for their maximization.


Learning to Decompose and Disentangle Representations for Video Prediction

Neural Information Processing Systems

Our goal is to predict future video frames given a sequence of input frames. Despite large amounts of video data, this remains a challenging task because of the high-dimensionality of video frames. We address this challenge by proposing the Decompositional Disentangled Predictive Auto-Encoder (DDPAE), a framework that combines structured probabilistic models and deep networks to automatically (i) decompose the high-dimensional video that we aim to predict into components, and (ii) disentangle each component to have low-dimensional temporal dynamics that are easier to predict. Crucially, with an appropriately specified generative model of video frames, our DDPAE is able to learn both the latent decomposition and disentanglement without explicit supervision. For the Moving MNIST dataset, we show that DDPAE is able to recover the underlying components (individual digits) and disentanglement (appearance and location) as we would intuitively do. We further demonstrate that DDPAE can be applied to the Bouncing Balls dataset involving complex interactions between multiple objects to predict the video frame directly from the pixels and recover physical states without explicit supervision.


Teaching Inverse Reinforcement Learners via Features and Demonstrations

Neural Information Processing Systems

Learning near-optimal behaviour from an expert's demonstrations typically relies on the assumption that the learner knows the features that the true reward function depends on. In this paper, we study the problem of learning from demonstrations in the setting where this is not the case, i.e., where there is a mismatch between the worldviews of the learner and the expert. We introduce a natural quantity, the teaching risk, which measures the potential suboptimality of policies that look optimal to the learner in this setting. We show that bounds on the teaching risk guarantee that the learner is able to find a near-optimal policy using standard algorithms based on inverse reinforcement learning. Based on these findings, we suggest a teaching scheme in which the expert can decrease the teaching risk by updating the learner's worldview, and thus ultimately enable her to find a near-optimal policy.


Deep Functional Dictionaries: Learning Consistent Semantic Structures on 3D Models from Functions

Neural Information Processing Systems

Various 3D semantic attributes such as segmentation masks, geometric features, keypoints, and materials can be encoded as per-point probe functions on 3D geometries. Given a collection of related 3D shapes, we consider how to jointly analyze such probe functions over different shapes, and how to discover common latent structures using a neural network -- even in the absence of any correspondence information. Our network is trained on point cloud representations of shape geometry and associated semantic functions on that point cloud. These functions express a shared semantic understanding of the shapes but are not coordinated in any way. For example, in a segmentation task, the functions can be indicator functions of arbitrary sets of shape parts, with the particular combination involved not known to the network. Our network is able to produce a small dictionary of basis functions for each shape, a dictionary whose span includes the semantic functions provided for that shape. Even though our shapes have independent discretizations and no functional correspondences are provided, the network is able to generate latent bases, in a consistent order, that reflect the shared semantic structure among the shapes. We demonstrate the effectiveness of our technique in various segmentation and keypoint selection applications.


Reducing Network Agnostophobia

Neural Information Processing Systems

Agnostophobia, the fear of the unknown, can be experienced by deep learning engineers while applying their networks to real-world applications. Unfortunately, network behavior is not well defined for inputs far from a networks training set. In an uncontrolled environment, networks face many instances that are not of interest to them and have to be rejected in order to avoid a false positive. This problem has previously been tackled by researchers by either a) thresholding softmax, which by construction cannot return none of the known classes, or b) using an additional background or garbage class. In this paper, we show that both of these approaches help, but are generally insufficient when previously unseen classes are encountered. We also introduce a new evaluation metric that focuses on comparing the performance of multiple approaches in scenarios where such unseen classes or unknowns are encountered. Our major contributions are simple yet effective Entropic Open-Set and Objectosphere losses that train networks using negative samples from some classes. These novel losses are designed to maximize entropy for unknown inputs while increasing separation in deep feature space by modifying magnitudes of known and unknown samples. Experiments on networks trained to classify classes from MNIST and CIFAR-10 show that our novel loss functions are significantly better at dealing with unknown inputs from datasets such as Devanagari, NotMNIST, CIFAR-100 and SVHN.


Toddler-Inspired Visual Object Learning

Neural Information Processing Systems

Real-world learning systems have practical limitations on the quality and quantity of the training datasets that they can collect and consider. How should a system go about choosing a subset of the possible training examples that still allows for learning accurate, generalizable models? To help address this question, we draw inspiration from a highly efficient practical learning system: the human child. Using head-mounted cameras, eye gaze trackers, and a model of foveated vision, we collected first-person (egocentric) images that represents a highly accurate approximation of the training data that toddlers' visual systems collect in everyday, naturalistic learning contexts. We used state-of-the-art computer vision learning models (convolutional neural networks) to help characterize the structure of these data, and found that child data produce significantly better object models than egocentric data experienced by adults in exactly the same environment. By using the CNNs as a modeling tool to investigate the properties of the child data that may enable this rapid learning, we found that child data exhibit a unique combination of quality and diversity, with not only many similar large, high-quality object views but also a greater number and diversity of rare views. This novel methodology of analyzing the visual training data used by children may not only reveal insights to improve machine learning, but also may suggest new experimental tools to better understand infant learning in developmental psychology.


Robust Learning of Fixed-Structure Bayesian Networks

Neural Information Processing Systems

We investigate the problem of learning Bayesian networks in a robust model where an $\epsilon$-fraction of the samples are adversarially corrupted. In this work, we study the fully observable discrete case where the structure of the network is given. Even in this basic setting, previous learning algorithms either run in exponential time or lose dimension-dependent factors in their error guarantees. We provide the first computationally efficient robust learning algorithm for this problem with dimension-independent error guarantees. Our algorithm has near-optimal sample complexity, runs in polynomial time, and achieves error that scales nearly-linearly with the fraction of adversarially corrupted samples. Finally, we show on both synthetic and semi-synthetic data that our algorithm performs well in practice.


Lipschitz-Margin Training: Scalable Certification of Perturbation Invariance for Deep Neural Networks

Neural Information Processing Systems

To take a steady step towards robust classifiers, we aim to create neural network models provably defended from perturbations. Prior certification work requires strong assumptions on network structures and massive computational costs, and thus the range of their applications was limited. From the relationship between the Lipschitz constants and prediction margins, we present a computationally efficient calculation technique to lower-bound the size of adversarial perturbations that can deceive networks, and that is widely applicable to various complicated networks. Moreover, we propose an efficient training procedure that robustifies networks and significantly improves the provably guarded areas around data points. In experimental evaluations, our method showed its ability to provide a non-trivial guarantee and enhance robustness for even large networks.


Fast Approximate Natural Gradient Descent in a Kronecker Factored Eigenbasis

Neural Information Processing Systems

For models with many parameters, the covariance matrix they are based on becomes gigantic, making them inapplicable in their original form. This has motivated research into both simple diagonal approximations and more sophisticated factored approximations such as KFAC (Heskes, 2000; Martens & Grosse, 2015; Grosse & Martens, 2016). In the present work we draw inspiration from both to propose a novel approximation that is provably better than KFAC and amendable to cheap partial updates. It consists in tracking a diagonal variance, not in parameter coordinates, but in a Kronecker-factored eigenbasis, in which the diagonal approximation is likely to be more effective. Experiments show improvements over KFAC in optimization speed for several deep network architectures.


Bandit Learning in Concave N-Person Games

Neural Information Processing Systems

This paper examines the long-run behavior of learning with bandit feedback in non-cooperative concave games. The bandit framework accounts for extremely low-information environments where the agents may not even know they are playing a game; as such, the agents' most sensible choice in this setting would be to employ a no-regret learning algorithm. In general, this does not mean that the players' behavior stabilizes in the long run: no-regret learning may lead to cycles, even with perfect gradient information. However, if a standard monotonicity condition is satisfied, our analysis shows that no-regret learning based on mirror descent with bandit feedback converges to Nash equilibrium with probability 1. We also derive an upper bound for the convergence rate of the process that nearly matches the best attainable rate for single-agent bandit stochastic optimization.