The analysis is borrowed from the regression setting and aims to decompose the prediction error of a given classifier into the terms of B&V to evaluate their effects on the performance. Therefore, it can help answer questions such as "How can we compare the accuracy of two different types of classifiers?", "What is it that makes stronger classifiers perform well? Is it the reduction in the bias they bring about, or in variance, or both?". Other than being theoretically interesting, the answers to these questions are also meant to provide better classifier design strategies which bring about improved prediction performance. After the initial decomposition of the prediction error into the standard B&V terms in the regression setting by [1], different studies have attempted to carry over this analysis into the classification setting while preserving the meanings of the terms and the additive property of the decomposition.

Due to the importance of uncertainty quantification (UQ), Bayesian approach to inverse problems has recently gained popularity in applied mathematics, physics, and engineering. However, traditional Bayesian inference methods based on Markov Chain Monte Carlo (MCMC) tend to be computationally intensive and inefficient for such high dimensional problems. To address this issue, several methods based on surrogate models have been proposed to speed up the inference process. More specifically, the calibration-emulation-sampling (CES) scheme has been proven to be successful in large dimensional UQ problems. In this work, we propose a novel CES approach for Bayesian inference based on deep neural network (DNN) models for the emulation phase. The resulting algorithm is not only computationally more efficient, but also less sensitive to the training set. Further, by using an Autoencoder (AE) for dimension reduction, we have been able to speed up our Bayesian inference method up to three orders of magnitude. Overall, our method, henceforth called \emph{Dimension-Reduced Emulative Autoencoder Monte Carlo (DREAM)} algorithm, is able to scale Bayesian UQ up to thousands of dimensions in physics-constrained inverse problems. Using two low-dimensional (linear and nonlinear) inverse problems we illustrate the validity this approach. Next, we apply our method to two high-dimensional numerical examples (elliptic and advection-diffussion) to demonstrate its computational advantage over existing algorithms.

In the biopharmaceutical manufacturing, fermentation process plays a critical role impacting on productivity and profit. Since biotherapeutics are manufactured in living cells whose biological mechanisms are complex and have highly variable outputs, in this paper, we introduce a model-based reinforcement learning framework accounting for model risk to support bioprocess online learning and guide the optimal and robust customized stopping policy for fermentation process. Specifically, built on the dynamic mechanisms of protein and impurity generation, we first construct a probabilistic model characterizing the impact of underlying bioprocess stochastic uncertainty on impurity and protein growth rates. Since biopharmaceutical manufacturing often has very limited data during the development and early stage of production, we derive the posterior distribution quantifying the process model risk, and further develop the Bayesian rule based knowledge update to support the online learning on underlying stochastic process. With the prediction risk accounting for both bioprocess stochastic uncertainty and model risk, the proposed reinforcement learning framework can proactively hedge all sources of uncertainties and support the optimal and robust customized decision making. We conduct the structural analysis of optimal policy and study the impact of model risk on the policy selection. We can show that it asymptotically converges to the optimal policy obtained under perfect information of underlying stochastic process. Our case studies demonstrate that the proposed framework can greatly improve the biomanufacturing industrial practice.

Obtaining samples from the posterior distribution of inverse problems with expensive forward operators is challenging especially when the unknowns involve the strongly heterogeneous Earth. To meet these challenges, we propose a preconditioning scheme involving a conditional normalizing flow (NF) capable of sampling from a low-fidelity posterior distribution directly. This conditional NF is used to speed up the training of the high-fidelity objective involving minimization of the Kullback-Leibler divergence between the predicted and the desired high-fidelity posterior density for indirect measurements at hand. To minimize costs associated with the forward operator, we initialize the high-fidelity NF with the weights of the pretrained low-fidelity NF, which is trained beforehand on available model and data pairs. Our numerical experiments, including a 2D toy and a seismic compressed sensing example, demonstrate that thanks to the preconditioning considerable speed-ups are achievable compared to training NFs from scratch.

The emergence and continued reliance on the Internet and related technologies has resulted in the generation of large amounts of data that can be made available for analyses. However, humans do not possess the cognitive capabilities to understand such large amounts of data. Machine learning (ML) provides a mechanism for humans to process large amounts of data, gain insights about the behavior of the data, and make more informed decision based on the resulting analysis. ML has applications in various fields. This review focuses on some of the fields and applications such as education, healthcare, network security, banking and finance, and social media. Within these fields, there are multiple unique challenges that exist. However, ML can provide solutions to these challenges, as well as create further research opportunities. Accordingly, this work surveys some of the challenges facing the aforementioned fields and presents some of the previous literature works that tackled them. Moreover, it suggests several research opportunities that benefit from the use of ML to address these challenges.

Theoretical and abstract approaches to information have made great advances, but human information processing is still unmatched in many areas, including information management, representation and understanding. Neurocognitive informatics is a new, emerging field that should help to improve the matching of artificial and natural systems, and inspire better computational algorithms to solve problems that are still beyond the reach of machines. In this position paper examples of neurocognitive inspirations and promising directions in this area are given.

Missing data is a challenge in many applications, including intelligent transportation systems (ITS). In this paper, we study traffic speed and travel time estimations in ITS, where portions of the collected data are missing due to sensor instability and communication errors at collection points. These practical issues can be remediated by missing data analysis, which are mainly categorized as either statistical or machine learning(ML)-based approaches. Statistical methods require the prior probability distribution of the data which is unknown in our application. Therefore, we focus on an ML-based approach, Multi-Directional Recurrent Neural Network (M-RNN). M-RNN utilizes both temporal and spatial characteristics of the data. We evaluate the effectiveness of this approach on a TomTom dataset containing spatio-temporal measurements of average vehicle speed and travel time in the Greater Toronto Area (GTA). We evaluate the method under various conditions, where the results demonstrate that M-RNN outperforms existing solutions,e.g., spline interpolation and matrix completion, by up to 58% decreases in Root Mean Square Error (RMSE).

In this paper, we present a novel general framework grounded in the factor graph theory to solve kinematic and dynamic problems for multi-body systems. Although the motion of multi-body systems is considered to be a well-studied problem and various methods have been proposed for its solution, a unified approach providing an intuitive interpretation is still pursued. We describe how to build factor graphs to model and simulate multibody systems using both, independent and dependent coordinates. Then, batch optimization or a fixed-lag-smoother can be applied to solve the underlying optimization problem that results in a highly-sparse nonlinear minimization problem. The proposed framework has been tested in extensive simulations and validated against a commercial multibody software. We release a reference implementation as an open-source C++ library, based on the GTSAM framework, a well-known estimation library. Simulations of forward and inverse dynamics are presented, showing comparable accuracy with classical approaches. The proposed factor graph-based framework has the potential to be integrated into applications related with motion estimation and parameter identification of complex mechanical systems, ranging from mechanisms to vehicles, or robot manipulators.

Energy-Based Models (EBMs), also known as non-normalized probabilistic models, specify probability density or mass functions up to an unknown normalizing constant. Unlike most other probabilistic models, EBMs do not place a restriction on the tractability of the normalizing constant, thus are more flexible to parameterize and can model a more expressive family of probability distributions. However, the unknown normalizing constant of EBMs makes training particularly difficult. Our goal is to provide a friendly introduction to modern approaches for EBM training. We start by explaining maximum likelihood training with Markov chain Monte Carlo (MCMC), and proceed to elaborate on MCMC-free approaches, including Score Matching (SM) and Noise Constrastive Estimation (NCE). We highlight theoretical connections among these three approaches, and end with a brief survey on alternative training methods, which are still under active research. Our tutorial is targeted at an audience with basic understanding of generative models who want to apply EBMs or start a research project in this direction.

We generalize fast Gaussian process leave-one-out formulae to multiple-fold cross-validation, highlighting in turn in broad settings the covariance structure of cross-validation residuals. The employed approach, that relies on block matrix inversion via Schur complements, is applied to both Simple and Universal Kriging frameworks. We illustrate how resulting covariances affect model diagnostics and how to properly transform residuals in the first place. Beyond that, we examine how accounting for dependency between such residuals affect cross-validation-based estimation of the scale parameter. It is found in two distinct cases, namely in scale estimation and in broader covariance parameter estimation via pseudo-likelihood, that correcting for covariances between cross-validation residuals leads back to maximum likelihood estimation or to an original variation thereof. The proposed fast calculation of Gaussian Process multiple-fold cross-validation residuals is implemented and benchmarked against a naive implementation, all in R language. Numerical experiments highlight the accuracy of our approach as well as the substantial speed-ups that it enables. It is noticeable however, as supported by a discussion on the main drivers of computational costs and by a dedicated numerical benchmark, that speed-ups steeply decline as the number of folds (say, all sharing the same size) decreases. Overall, our results enable fast multiple-fold cross-validation, have direct consequences in GP model diagnostics, and pave the way to future work on hyperparameter fitting as well as on the promising field of goal-oriented fold design.