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In general, we can not use algebraic or enumerative methods to optimize a quality control (QC) procedure so as to detect the critical random and systematic analytical errors with stated probabilities, while the probability for false…

Approximate Bayesian computation (ABC) or likelihood-free inference algorithms are used to find approximations to posterior distributions without making explicit use of the likelihood function, depending instead on simulation of sample data…

Gaussian Process (GP) models have also become extremely useful for optimization under uncertainty algorithms, especially where the objective functions are costly to compute. Yet, the more classical methods usually adopt strategies that, in…

Gaussian processes (GPs) are widely used for regression and optimization tasks such as Bayesian optimization (BO) due to their expressiveness and principled uncertainty estimates. However, in settings with large datasets corrupted by…

Distribution shifts between sites can seriously degrade model performance since models are prone to exploiting unstable correlations. Thus, many methods try to find features that are stable across sites and discard unstable features.…

Online ratings influence customer decision-making, yet standard aggregation methods, such as the sample mean, fail to adapt to quality changes over time and ignore review heterogeneity (e.g., review sentiment, a review's helpfulness). To…

Gaussian processes (GPs) play an essential role in biostatistics, scientific machine learning, and Bayesian optimization for their ability to provide probabilistic predictions and model uncertainty. However, GP inference struggles to scale…

Machine learning models often perform poorly under subpopulation shifts in the data distribution. Developing methods that allow machine learning models to better generalize to such shifts is crucial for safe deployment in real-world…

Accurate, fair, and explainable allocation of candidates to roles represents a fundamental challenge across multiple domains including corporate hiring, academic admissions, fellowship awards, and volunteer placement systems. Current…

Sparse functional data frequently arise in real-world applications, posing significant challenges for accurate classification. To address this, we propose a novel classification method that integrates functional principal component analysis…

Predictive modelling using machine learning has become very popular for spatial mapping of the environment. Models are often applied to make predictions far beyond sampling locations where new geographic locations might considerably differ…

We present a Python package together with a practical guide for the implementation of a lightweight diversity-enhanced genetic algorithm (GA) approach for the exploration of multi-dimensional parameter spaces. Searching a parameter space…

In the field of machine learning (ML) for materials optimization, active learning algorithms, such as Bayesian Optimization (BO), have been leveraged for guiding autonomous and high-throughput experimentation systems. However, very few…

Sensitivity analyses reveal the influence of various modeling choices on the outcomes of statistical analyses. While theoretically appealing, they are overwhelmingly inefficient for complex Bayesian models. In this work, we propose…

We revisit the classical, full-fledged Bayesian model averaging (BMA) paradigm to ensemble pre-trained and/or lightly-finetuned foundation models to enhance the classification performance on image and text data. To make BMA tractable under…

Multivariate Gaussian processes (GPs) offer a powerful probabilistic framework to represent complex interdependent phenomena. They pose, however, significant computational challenges in high-dimensional settings, which frequently arise in…

For more than a decade Vytelingum's Adaptive-Aggressive (AA) algorithm has been recognized as the best-performing automated auction-market trading-agent strategy currently known in the AI/Agents literature; in this paper, we demonstrate…

Data Attribution (DA) methods quantify the influence of individual training data points on model outputs and have broad applications such as explainability, data selection, and noisy label identification. However, existing DA methods are…

Decision-based methods have shown to be effective in black-box adversarial attacks, as they can obtain satisfactory performance and only require to access the final model prediction. Gradient estimation is a critical step in black-box…

Artificial intelligence (AI) systems increasingly inform medical decision-making, yet concerns about algorithmic bias and inequitable outcomes persist, particularly for historically marginalized populations. This paper introduces the…