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Transformers are state-of-the-art in a wide range of NLP tasks and have also been applied to many real-world products. Understanding the reliability and certainty of transformer model predictions is crucial for building trustable machine learning applications, e.g., medical diagnosis. Although many recent transformer extensions have been proposed, the study of the uncertainty estimation of transformer models is under-explored. In this work, we propose a novel way to enable transformers to have the capability of uncertainty estimation and, meanwhile, retain the original predictive performance. This is achieved by learning a hierarchical stochastic self-attention that attends to values and a set of learnable centroids, respectively. Then new attention heads are formed with a mixture of sampled centroids using the Gumbel-Softmax trick. We theoretically show that the self-attention approximation by sampling from a Gumbel distribution is upper bounded. We empirically evaluate our model on two text classification tasks with both in-domain (ID) and out-of-domain (OOD) datasets. The experimental results demonstrate that our approach: (1) achieves the best predictive performance and uncertainty trade-off among compared methods; (2) exhibits very competitive (in most cases, improved) predictive performance on ID datasets; (3) is on par with Monte Carlo dropout and ensemble methods in uncertainty estimation on OOD datasets.

The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.

Discovering causal structure among a set of variables is a fundamental problem in many empirical sciences. Traditional score-based casual discovery methods rely on various local heuristics to search for a Directed Acyclic Graph (DAG) according to a predefined score function. While these methods, e.g., greedy equivalence search, may have attractive results with infinite samples and certain model assumptions, they are usually less satisfactory in practice due to finite data and possible violation of assumptions. Motivated by recent advances in neural combinatorial optimization, we propose to use Reinforcement Learning (RL) to search for the DAG with the best scoring. Our encoder-decoder model takes observable data as input and generates graph adjacency matrices that are used to compute rewards. The reward incorporates both the predefined score function and two penalty terms for enforcing acyclicity. In contrast with typical RL applications where the goal is to learn a policy, we use RL as a search strategy and our final output would be the graph, among all graphs generated during training, that achieves the best reward. We conduct experiments on both synthetic and real datasets, and show that the proposed approach not only has an improved search ability but also allows a flexible score function under the acyclicity constraint.

Deep neural networks have been shown to be very powerful modeling tools for many supervised learning tasks involving complex input patterns. However, they can also easily overfit to training set biases and label noises. In addition to various regularizers, example reweighting algorithms are popular solutions to these problems, but they require careful tuning of additional hyperparameters, such as example mining schedules and regularization hyperparameters. In contrast to past reweighting methods, which typically consist of functions of the cost value of each example, in this work we propose a novel meta-learning algorithm that learns to assign weights to training examples based on their gradient directions. To determine the example weights, our method performs a meta gradient descent step on the current mini-batch example weights (which are initialized from zero) to minimize the loss on a clean unbiased validation set. Our proposed method can be easily implemented on any type of deep network, does not require any additional hyperparameter tuning, and achieves impressive performance on class imbalance and corrupted label problems where only a small amount of clean validation data is available.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.

This manuscript surveys reinforcement learning from the perspective of optimization and control with a focus on continuous control applications. It surveys the general formulation, terminology, and typical experimental implementations of reinforcement learning and reviews competing solution paradigms. In order to compare the relative merits of various techniques, this survey presents a case study of the Linear Quadratic Regulator (LQR) with unknown dynamics, perhaps the simplest and best studied problem in optimal control. The manuscript describes how merging techniques from learning theory and control can provide non-asymptotic characterizations of LQR performance and shows that these characterizations tend to match experimental behavior. In turn, when revisiting more complex applications, many of the observed phenomena in LQR persist. In particular, theory and experiment demonstrate the role and importance of models and the cost of generality in reinforcement learning algorithms. This survey concludes with a discussion of some of the challenges in designing learning systems that safely and reliably interact with complex and uncertain environments and how tools from reinforcement learning and controls might be combined to approach these challenges.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.

Meta-learning is a powerful tool that builds on multi-task learning to learn how to quickly adapt a model to new tasks. In the context of reinforcement learning, meta-learning algorithms can acquire reinforcement learning procedures to solve new problems more efficiently by meta-learning prior tasks. The performance of meta-learning algorithms critically depends on the tasks available for meta-training: in the same way that supervised learning algorithms generalize best to test points drawn from the same distribution as the training points, meta-learning methods generalize best to tasks from the same distribution as the meta-training tasks. In effect, meta-reinforcement learning offloads the design burden from algorithm design to task design. If we can automate the process of task design as well, we can devise a meta-learning algorithm that is truly automated. In this work, we take a step in this direction, proposing a family of unsupervised meta-learning algorithms for reinforcement learning. We describe a general recipe for unsupervised meta-reinforcement learning, and describe an effective instantiation of this approach based on a recently proposed unsupervised exploration technique and model-agnostic meta-learning. We also discuss practical and conceptual considerations for developing unsupervised meta-learning methods. Our experimental results demonstrate that unsupervised meta-reinforcement learning effectively acquires accelerated reinforcement learning procedures without the need for manual task design, significantly exceeds the performance of learning from scratch, and even matches performance of meta-learning methods that use hand-specified task distributions.

We present an end-to-end framework for solving the Vehicle Routing Problem (VRP) using reinforcement learning. In this approach, we train a single model that finds near-optimal solutions for problem instances sampled from a given distribution, only by observing the reward signals and following feasibility rules. Our model represents a parameterized stochastic policy, and by applying a policy gradient algorithm to optimize its parameters, the trained model produces the solution as a sequence of consecutive actions in real time, without the need to re-train for every new problem instance. On capacitated VRP, our approach outperforms classical heuristics and Google's OR-Tools on medium-sized instances in solution quality with comparable computation time (after training). We demonstrate how our approach can handle problems with split delivery and explore the effect of such deliveries on the solution quality. Our proposed framework can be applied to other variants of the VRP such as the stochastic VRP, and has the potential to be applied more generally to combinatorial optimization problems.

The per-pixel cross-entropy loss (CEL) has been widely used in structured output prediction tasks as a spatial extension of generic image classification. However, its i.i.d. assumption neglects the structural regularity present in natural images. Various attempts have been made to incorporate structural reasoning mostly through structure priors in a cooperative way where co-occuring patterns are encouraged. We, on the other hand, approach this problem from an opposing angle and propose a new framework for training such structured prediction networks via an adversarial process, in which we train a structure analyzer that provides the supervisory signals, the adversarial structure matching loss (ASML). The structure analyzer is trained to maximize ASML, or to exaggerate recurring structural mistakes usually among co-occurring patterns. On the contrary, the structured output prediction network is trained to reduce those mistakes and is thus enabled to distinguish fine-grained structures. As a result, training structured output prediction networks using ASML reduces contextual confusion among objects and improves boundary localization. We demonstrate that ASML outperforms its counterpart CEL especially in context and boundary aspects on figure-ground segmentation and semantic segmentation tasks with various base architectures, such as FCN, U-Net, DeepLab, and PSPNet.