We introduce Bootstrap Your Own Latent (BYOL), a new approach to self-supervised image representation learning. BYOL relies on two neural networks, referred to as online and target networks, that interact and learn from each other. From an augmented view of an image, we train the online network to predict the target network representation of the same image under a different augmented view. At the …

Scientists and engineers employ stochastic numerical simulators to model empirically observed phenomena. In contrast to purely statistical models, simulators express scientific principles that provide powerful inductive biases, improve generalization to new data or scenarios and allow for fewer, more interpretable and domain-relevant parameters. Despite these advantages, tuning a simulator’s …

The reliability of a machine learning model’s confidence in its predictions is critical for high-risk applications. Calibration—the idea that a model’s predicted probabilities of outcomes reflect true probabilities of those outcomes—formalizes this notion. Current calibration metrics fail to consider all of the predictions made by machine learning models, and are inefficient in their estimation of …

Weighted model counting (WMC) is a state-of-the-art technique for probabilistic inference in discrete domains. WMC has recently been extended towards weighted model integration (WMI) in order to handle discrete and continuous distributions alike. While a number of WMI solvers have been introduced, their relationships, strengths and weaknesses are not yet well understood. WMI solving consists of …

Sum-product networks (SPNs) are expressive probabilistic models with a rich set of exact and efficient inference routines. However, in order to guarantee exact inference, they require specific structural constraints, which complicate learning SPNs from data. Thereby, most SPN structure learners proposed so far are tedious to tune, do not scale easily, and are not easily integrated with deep …

Deep models, while being extremely flexible and accurate, are surprisingly vulnerable to "small, imperceptible" perturbations known as adversarial attacks. While the majority of existing attacks focus on measuring perturbations under the $\ell_p$ metric, Wasserstein distance, which takes geometry in pixel space into account, has long been known to be a suitable metric for measuring image quality …

Physics-informed neural networks (PINNs) have lately received great attention thanks to their flexibility in tackling a wide range of forward and inverse problems involving partial differential equations. However, despite their noticeable empirical success, little is known about how such constrained neural networks behave during their training via gradient descent. More importantly, even less is …

Accurately estimating uncertainties in neural network predictions is of great importance in building trusted DNNs-based models, and there is an increasing interest in providing accurate uncertainty estimation on many tasks, such as security cameras and autonomous driving vehicles. In this paper, we focus on the two main use cases of uncertainty estimation, i.e. selective prediction and confidence …

Deep neural networks (DNNs) are known for their high prediction performance, especially in perceptual tasks such as object recognition or autonomous driving. Still, DNNs are prone to yield unreliable predictions when encountering completely new situations without indicating their uncertainty. Bayesian variants of DNNs (BDNNs), such as MC dropout BDNNs, do provide uncertainty measures. However, …

The point estimates of ReLU classification networks---arguably the most widely used neural network architecture---have been shown to yield arbitrarily high confidence far away from the training data. This architecture, in conjunction with a maximum a posteriori estimation scheme, is thus not calibrated nor robust. Approximate Bayesian inference has been empirically demonstrated to improve …

Although measuring held-out accuracy has been the primary approach to evaluate generalization, it often overestimates the performance of NLP models, while alternative approaches for evaluating models either focus on individual tasks or on specific behaviors. Inspired by principles of behavioral testing in software engineering, we introduce CheckList, a task-agnostic methodology for testing NLP …

In recent years, on-policy reinforcement learning (RL) has been successfully applied to many different continuous control tasks. While RL algorithms are often conceptually simple, their state-of-the-art implementations take numerous low- and high-level design decisions that strongly affect the performance of the resulting agents. Those choices are usually not extensively discussed in the …

Physics informed neural networks (PINNs) are deep learning based techniques for solving partial differential equations (PDEs) encounted in computational science and engineering. Guided by data and physical laws, PINNs find a neural network that approximates the solution to a system of PDEs. Such a neural network is obtained by minimizing a loss function in which any prior knowledge of PDEs and …

The ability to discover approximately optimal policies in domains with sparse rewards is crucial to applying reinforcement learning (RL) in many real-world scenarios. Approaches such as neural dens...

Normalizing Flows are generative models which produce tractable distributions where both sampling and density evaluation can be efficient and exact. The goal of this survey article is to give a coherent and comprehensive review of the literature around the construction and use of Normalizing Flows for distribution learning. We aim to provide context and explanation of the models, review current …

Robustness against image perturbations bounded by a $\ell_p$ ball have been well-studied in recent literature. Perturbations in the real-world, however, rarely exhibit the pixel independence that $\ell_p$ threat models assume. A recently proposed Wasserstein distance-bounded threat model is a promising alternative that limits the perturbation to pixel mass movements. We point out and rectify flaws …

In the time of Big Data, training complex models on large-scale data sets is challenging, making it appealing to reduce data volume for saving computation resources by subsampling. Most previous works in subsampling are weighted methods designed to help the performance of subset-model approach the full-set-model, hence the weighted methods have no chance to acquire a subset-model that is better …

Neural Networks (NNs) have been extensively used for a wide spectrum of real-world regression tasks, where the goal is to predict a numerical outcome such as revenue, effectiveness, or a quantitative result. In many such tasks, the point prediction is not enough: the uncertainty (i.e. risk or confidence) of that prediction must also be estimated. Standard NNs, which are most often used in such …

Explainable artificially intelligent (XAI) systems form part of sociotechnical systems, e.g., human+AI teams tasked with making decisions. Yet, current XAI systems are rarely evaluated by measuring the performance of human+AI teams on actual decision-making tasks. We conducted two online experiments and one in-person think-aloud study to evaluate two currently common techniques for evaluating XAI …

Statistical Rethinking: A Bayesian Course with Examples in R and Stan builds your knowledge of and confidence in making inferences from data. Reflecting the need for scripting in today's model-based statistics, the book pushes you to perform step-by-step calculations that are usually automated. This unique computational approach ensures that you understand enough of the details to make reasonable …

Predictive models are being increasingly used to support consequential decision making at the individual level in contexts such as pretrial bail and loan approval. As a result, there is increasing social and legal pressure to provide explanations that help the affected individuals not only to understand why a prediction was output, but also how to act to obtain a desired outcome. To this end, …

We introduce a method called TracIn that computes the influence of a training example on a prediction made by the model. The idea is to trace how the loss on the test point changes during the training process whenever the training example of interest was utilized. We provide a scalable implementation of TracIn via: (a) a first-order gradient approximation to the exact computation, (b) saved …

A rapidly growing area of work has studied the existence of adversarial examples, datapoints which have been perturbed to fool a classifier, but the vast majority of these works have focused primarily on threat models defined by $\ell_p$ norm-bounded perturbations. In this paper, we propose a new threat model for adversarial attacks based on the Wasserstein distance. In the image classification …

The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this …

We review basic concepts of convex duality, focusing on the very general and supremely useful Fenchel-Rockafellar duality. We summarize how this duality may be applied to a variety of reinforcement learning (RL) settings, including policy evaluation or optimization, online or offline learning, and discounted or undiscounted rewards. The derivations yield a number of intriguing results, including …

Verification of neural networks enables us to gauge their robustness against adversarial attacks. Verification algorithms fall into two categories: exact verifiers that run in exponential time and relaxed verifiers that are efficient but incomplete. In this paper, we unify all existing LP-relaxed verifiers, to the best of our knowledge, under a general convex relaxation framework. This framework …

Reward learning enables the application of reinforcement learning (RL) to tasks where reward is defined by human judgment, building a model of reward by asking humans questions. Most work on reward learning has used simulated environments, but complex information about values is often expressed in natural language, and we believe reward learning for language is a key to making RL practical and …

This book provides an introduction to the mathematical and algorithmic foundations of data science, including machine learning, high-dimensional geometry, and analysis of large networks. Topics include the counterintuitive nature of data in high dimensions, important linear algebraic techniques such as singular value decomposition, the theory of random walks and Markov chains, the fundamentals of …

An adaptive scheme to generate reduced-order models for parametric nonlinear dynamical systems is proposed. It aims to automatize the proper orthogonal decomposition (POD)-Greedy algorithm combined with empirical interpolation. At each iteration, it is able to adaptively determine the number of the reduced basis vectors and the number of the interpolation basis vectors for basis construction. The …

An adaptive scheme to generate reduced-order models for parametric nonlinear dynamical systems is proposed. It aims to automatize the proper orthogonal decomposition (POD)-Greedy algorithm combined with empirical interpolation. At each iteration, it is able to adaptively determine the number of the reduced basis vectors and the number of the interpolation basis vectors for basis construction. The …