Performance monitoring of machine learning (ML)-based risk prediction models in healthcare is complicated by the issue of confounding medical interventions (CMI): when an algorithm predicts a patient to be at high risk for an adverse event, clinicians are more likely to administer prophylactic treatment and alter the very target that the algorithm aims to predict. A simple approach is to ignore CMI and monitor only the untreated patients, whose outcomes remain unaltered. In general, ignoring CMI may inflate Type I error because (i) untreated patients disproportionally represent those with low predicted risk and (ii) evolution in both the model and clinician trust in the model can induce complex dependencies that violate standard assumptions. Nevertheless, we show that valid inference is still possible if one monitors conditional performance and if either conditional exchangeability or time-constant selection bias hold. Specifically, we develop a new score-based cumulative sum (CUSUM) monitoring procedure with dynamic control limits. Through simulations, we demonstrate the benefits of combining model updating with monitoring and investigate how over-trust in a prediction model may delay detection of performance deterioration. Finally, we illustrate how these monitoring methods can be used to detect calibration decay of an ML-based risk calculator for postoperative nausea and vomiting during the COVID-19 pandemic.

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled sample generation. Most of these existing methods either formulate the controlling information as an input (i.e.,: conditional representation) for the noise approximator, or introduce a pre-trained classifier in the test-phase to guide the Langevin dynamic towards the conditional goal. However, the former line of methods only work when the controlling information can be formulated as conditional representations, while the latter requires the pre-trained guidance classifier to be differentiable. In this paper, we propose a novel framework named RGDM (Reward-Guided Diffusion Model) that guides the training-phase of diffusion models via reinforcement learning (RL). The proposed training framework bridges the objective of weighted log-likelihood and maximum entropy RL, which enables calculating policy gradients via samples from a pay-off distribution proportional to exponential scaled rewards, rather than from policies themselves. Such a framework alleviates the high gradient variances and enables diffusion models to explore for highly rewarded samples in the reverse process. Experiments on 3D shape and molecule generation tasks show significant improvements over existing conditional diffusion models.

We propose to integrate weapon system features (such as weapon system manufacturer, deployment time and location, storage time and location, etc.) into a parameterized Cox-Weibull [1] reliability model via a neural network, like DeepSurv [2], to improve predictive maintenance. In parallel, we develop an alternative Bayesian model by parameterizing the Weibull parameters with a neural network and employing dropout methods such as Monte-Carlo (MC)-dropout for comparative purposes. Due to data collection procedures in weapon system testing we employ a novel interval-censored log-likelihood which incorporates Monte-Carlo Markov Chain (MCMC) [3] sampling of the Weibull parameters during gradient descent optimization. We compare classification metrics such as receiver operator curve (ROC) area under the curve (AUC), precision-recall (PR) AUC, and F scores to show our model generally outperforms traditional powerful models such as XGBoost and the current standard conditional Weibull probability density estimation model.

Considering a probability distribution over parameters is known as an efficient strategy to learn a neural network with non-differentiable activation functions. We study the expectation of a probabilistic neural network as a predictor by itself, focusing on the aggregation of binary activated neural networks with normal distributions over real-valued weights. Our work leverages a recent analysis derived from the PAC-Bayesian framework that derives tight generalization bounds and learning procedures for the expected output value of such an aggregation, which is given by an analytical expression. While the combinatorial nature of the latter has been circumvented by approximations in previous works, we show that the exact computation remains tractable for deep but narrow neural networks, thanks to a dynamic programming approach. This leads us to a peculiar bound minimization learning algorithm for binary activated neural networks, where the forward pass propagates probabilities over representations instead of activation values. A stochastic counterpart that scales to wide architectures is proposed.

Most signal processing and statistical applications heavily rely on specific data distribution models. The Gaussian distributions, although being the most common choice, are inadequate in most real world scenarios as they fail to account for data coming from heavy-tailed populations or contaminated by outliers. Such problems call for the use of Robust Statistics. The robust models and estimators are usually based on elliptical populations, making the latter ubiquitous in all methods of robust statistics. To determine whether such tools are applicable in any specific case, goodness-of-fit (GoF) tests are used to verify the ellipticity hypothesis. Ellipticity GoF tests are usually hard to analyze and often their statistical power is not particularly strong. In this work, assuming the true covariance matrix is unknown we design and rigorously analyze a robust GoF test consistent against all alternatives to ellipticity on the unit sphere. The proposed test is based on Tyler's estimator and is formulated in terms of easily computable statistics of the data. For its rigorous analysis, we develop a novel framework based on the exchangeable random variables calculus introduced by de Finetti. Our findings are supported by numerical simulations comparing them to other popular GoF tests and demonstrating the significantly higher statistical power of the suggested technique.

Normalizing Flows (NF) are powerful likelihood-based generative models that are able to trade off between expressivity and tractability to model complex densities. A now well established research avenue leverages optimal transport (OT) and looks for Monge maps, i.e. models with minimal effort between the source and target distributions. This paper introduces a method based on Brenier's polar factorization theorem to transform any trained NF into a more OT-efficient version without changing the final density. We do so by learning a rearrangement of the source (Gaussian) distribution that minimizes the OT cost between the source and the final density. The Gaussian preserving transformation is implemented with the construction of high dimensional divergence free functions and the path leading to the estimated Monge map is further constrained to lie on a geodesic in the space of volume-preserving diffeomorphisms thanks to Euler's equations. The proposed method leads to smooth flows with reduced OT costs for several existing models without affecting the model performance. The code is available here https://github.com/morel-g/GPFlow.

The brain-computer interface (BCI) enables individuals with severe physical impairments to communicate with the world. BCIs offer computational neuroscience opportunities and challenges in converting real-time brain activities to computer commands and are typically framed as a classification problem. This article focuses on the P300 BCI that uses the event-related potential (ERP) BCI design, where the primary challenge is classifying target/non-target stimuli. We develop a novel Gaussian latent group model with sparse time-varying effects (GLASS) for making Bayesian inferences on the P300 BCI. GLASS adopts a multinomial regression framework that directly addresses the dataset imbalance in BCI applications. The prior specifications facilitate i) feature selection and noise reduction using soft-thresholding, ii) smoothing of the time-varying effects using global shrinkage, and iii) clustering of latent groups to alleviate high spatial correlations of EEG data. We develop an efficient gradient-based variational inference (GBVI) algorithm for posterior computation and provide a user-friendly Python module available at https://github.com/BangyaoZhao/GLASS. The application of GLASS identifies important EEG channels (PO8, Oz, PO7, Pz, C3) that align with existing literature. GLASS further reveals a group effect from channels in the parieto-occipital region (PO8, Oz, PO7), which is validated in cross-participant analysis.

Soft-sensors are gaining popularity due to their ability to provide estimates of key process variables with little intervention required on the asset and at a low cost. In oil and gas production, virtual flow metering (VFM) is a popular soft-sensor that attempts to estimate multiphase flow rates in real time. VFMs are based on models, and these models require calibration. The calibration is highly dependent on the application, both due to the great diversity of the models, and in the available measurements. The most accurate calibration is achieved by careful tuning of the VFM parameters to well tests, but this can be work intensive, and not all wells have frequent well test data available. This paper presents a calibration method based on the measurement provided by the production separator, and the assumption that the observed flow should be equal to the sum of flow rates from each individual well. This allows us to jointly calibrate the VFMs continuously. The method applies Sequential Monte Carlo (SMC) to infer a tuning factor and the flow composition for each well. The method is tested on a case with ten wells, using both synthetic and real data. The results are promising and the method is able to provide reasonable estimates of the parameters without relying on well tests. However, some challenges are identified and discussed, particularly related to the process noise and how to manage varying data quality.

Google AlphaGos win has significantly motivated and sped up machine learning (ML) research and development, which led to tremendous ML technical advances and wider adoptions in various domains (e.g., Finance, Health, Defense, and Education). These advances have resulted in numerous new concepts and technologies, which are too many for people to catch up to and even make them confused, especially for newcomers to the ML area. This paper is aimed to present a clear picture of the state-of-the-art of the existing ML technologies with a comprehensive survey. We lay out this survey by viewing ML as a MLOps (ML Operations) process, where the key concepts and activities are collected and elaborated with representative works and surveys. We hope that this paper can serve as a quick reference manual (a survey of surveys) for newcomers (e.g., researchers, practitioners) of ML to get an overview of the MLOps process, as well as a good understanding of the key technologies used in each step of the ML process, and know where to find more details.

Bayesian neural networks (BNNs) have received an increased interest in the last years. In BNNs, a complete posterior distribution of the unknown weight and bias parameters of the network is produced during the training stage. This probabilistic estimation offers several advantages with respect to point-wise estimates, in particular, the ability to provide uncertainty quantification when predicting new data. This feature inherent to the Bayesian paradigm, is useful in countless machine learning applications. It is particularly appealing in areas where decision-making has a crucial impact, such as medical healthcare or autonomous driving. The main challenge of BNNs is the computational cost of the training procedure since Bayesian techniques often face a severe curse of dimensionality. Adaptive importance sampling (AIS) is one of the most prominent Monte Carlo methodologies benefiting from sounded convergence guarantees and ease for adaptation. This work aims to show that AIS constitutes a successful approach for designing BNNs. More precisely, we propose a novel algorithm PMCnet that includes an efficient adaptation mechanism, exploiting geometric information on the complex (often multimodal) posterior distribution. Numerical results illustrate the excellent performance and the improved exploration capabilities of the proposed method for both shallow and deep neural networks.