Scientific imaging problems are often severely ill-posed, and hence have significant intrinsic uncertainty. Accurately quantifying the uncertainty in the solutions to such problems is therefore critical for the rigorous interpretation of experimental results as well as for reliably using the reconstructed images as scientific evidence. Unfortunately, existing imaging methods are unable to quantify the uncertainty in the reconstructed images in a manner that is robust to experiment replications. This paper presents a new uncertainty quantification methodology based on an equivariant formulation of the parametric bootstrap algorithm that leverages symmetries and invariance properties commonly encountered in imaging problems. Additionally, the proposed methodology is general and can be easily applied with any image reconstruction technique, including unsupervised training strategies that can be trained from observed data alone, thus enabling uncertainty quantification in situations where there is no ground truth data available. We demonstrate the proposed approach with a series of numerical experiments and through comparisons with alternative uncertainty quantification strategies from the state-of-the-art, such as Bayesian strategies involving score-based diffusion models and Langevin samplers. In all our experiments, the proposed method delivers remarkably accurate high-dimensional confidence regions and outperforms the competing approaches in terms of estimation accuracy, uncertainty quantification accuracy, and computing time.

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g., a neural network) by fitting the model's residuals with a k-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels, even when the base model has low capacity. We start by formulating a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over a base linear neural network. Then, we empirically show that ResMem consistently improves the test set generalization of the original prediction model across standard vision and natural language processing benchmarks.

The combination of Deep Learning techniques and Raman spectroscopy shows great potential offering precise and prompt identification of pathogenic bacteria in clinical settings. However, the traditional closed-set classification approaches assume that all test samples belong to one of the known pathogens, and their applicability is limited since the clinical environment is inherently unpredictable and dynamic, unknown or emerging pathogens may not be included in the available catalogs. We demonstrate that the current state-of-the-art Neural Networks identifying pathogens through Raman spectra are vulnerable to unknown inputs, resulting in an uncontrollable false positive rate. To address this issue, first, we developed a novel ensemble of ResNet architectures combined with the attention mechanism which outperforms existing closed-world methods, achieving an accuracy of $87.8 \pm 0.1\%$ compared to the best available model's accuracy of $86.7 \pm 0.4\%$. Second, through the integration of feature regularization by the Objectosphere loss function, our model achieves both high accuracy in identifying known pathogens from the catalog and effectively separates unknown samples drastically reducing the false positive rate. Finally, the proposed feature regularization method during training significantly enhances the performance of out-of-distribution detectors during the inference phase improving the reliability of the detection of unknown classes. Our novel algorithm for Raman spectroscopy enables the detection of unknown, uncatalogued, and emerging pathogens providing the flexibility to adapt to future pathogens that may emerge, and has the potential to improve the reliability of Raman-based solutions in dynamic operating environments where accuracy is critical, such as public safety applications.

The classification of weather data involves categorizing meteorological phenomena into classes, thereby facilitating nuanced analyses and precise predictions for various sectors such as agriculture, aviation, and disaster management. This involves utilizing machine learning models to analyze large, multidimensional weather datasets for patterns and trends. These datasets may include variables such as temperature, humidity, wind speed, and pressure, contributing to meteorological conditions. Furthermore, it's imperative that classification algorithms proficiently navigate challenges such as data imbalances, where certain weather events (e.g., storms or extreme temperatures) might be underrepresented. This empirical study explores data augmentation methods to address imbalanced classes in tabular weather data in centralized and federated settings. Employing data augmentation techniques such as the Synthetic Minority Over-sampling Technique or Generative Adversarial Networks can improve the model's accuracy in classifying rare but critical weather events. Moreover, with advancements in federated learning, machine learning models can be trained across decentralized databases, ensuring privacy and data integrity while mitigating the need for centralized data storage and processing. Thus, the classification of weather data stands as a critical bridge, linking raw meteorological data to actionable insights, enhancing our capacity to anticipate and prepare for diverse weather conditions.

Brain tumors are increasingly prevalent, characterized by the uncontrolled spread of aberrant tissues in the brain, with almost 700,000 new cases diagnosed globally each year. Magnetic Resonance Imaging (MRI) is commonly used for the diagnosis of brain tumors and accurate classification is a critical clinical procedure. In this study, we propose an efficient solution for classifying brain tumors from MRI images using custom transfer learning networks. While several researchers have employed various pre-trained architectures such as RESNET-50, ALEXNET, VGG-16, and VGG-19, these methods often suffer from high computational complexity. To address this issue, we present a custom and lightweight model using a Convolutional Neural Network-based pre-trained architecture with reduced complexity. Specifically, we employ the VGG-19 architecture with additional hidden layers, which reduces the complexity of the base architecture but improves computational efficiency. The objective is to achieve high classification accuracy using a novel approach. Finally, the result demonstrates a classification accuracy of 96.42%.

Bayesian Neural Networks (BNNs) have become one of the promising approaches for uncertainty estimation due to the solid theorical foundations. However, the performance of BNNs is affected by the ability of catching uncertainty. Instead of only seeking the distribution of neural network weights by in-distribution (ID) data, in this paper, we propose a new Bayesian Neural Network with an Attached structure (ABNN) to catch more uncertainty from out-of-distribution (OOD) data. We first construct a mathematical description for the uncertainty of OOD data according to the prior distribution, and then develop an attached Bayesian structure to integrate the uncertainty of OOD data into the backbone network. ABNN is composed of an expectation module and several distribution modules. The expectation module is a backbone deep network which focuses on the original task, and the distribution modules are mini Bayesian structures which serve as attachments of the backbone. In particular, the distribution modules aim at extracting the uncertainty from both ID and OOD data. We further provide theoretical analysis for the convergence of ABNN, and experimentally validate its superiority by comparing with some state-of-the-art uncertainty estimation methods Code will be made available.

While the accuracy-fairness trade-off has been frequently observed in the literature of fair machine learning, rigorous theoretical analyses have been scarce. To demystify this long-standing challenge, this work seeks to develop a theoretical framework by characterizing the shape of the accuracy-fairness trade-off Pareto frontier (FairFrontier), determined by a set of all optimal Pareto classifiers that no other classifiers can dominate. Specifically, we first demonstrate the existence of the trade-off in real-world scenarios and then propose four potential categories to characterize the important properties of the accuracy-fairness Pareto frontier. For each category, we identify the necessary conditions that lead to corresponding trade-offs. Experimental results on synthetic data suggest insightful findings of the proposed framework: (1) When sensitive attributes can be fully interpreted by non-sensitive attributes, FairFrontier is mostly continuous. (2) Accuracy can suffer a \textit{sharp} decline when over-pursuing fairness. (3) Eliminate the trade-off via a two-step streamlined approach. The proposed research enables an in-depth understanding of the accuracy-fairness trade-off, pushing current fair machine-learning research to a new frontier.

Binary classification is a fundamental task in machine learning, with applications spanning various scientific domains. Whether scientists are conducting fundamental research or refining practical applications, they typically assess and rank classification techniques based on performance metrics such as accuracy, sensitivity, and specificity. However, reported performance scores may not always serve as a reliable basis for research ranking. This can be attributed to undisclosed or unconventional practices related to cross-validation, typographical errors, and other factors. In a given experimental setup, with a specific number of positive and negative test items, most performance scores can assume specific, interrelated values. In this paper, we introduce numerical techniques to assess the consistency of reported performance scores and the assumed experimental setup. Importantly, the proposed approach does not rely on statistical inference but uses numerical methods to identify inconsistencies with certainty. Through three different applications related to medicine, we demonstrate how the proposed techniques can effectively detect inconsistencies, thereby safeguarding the integrity of research fields. To benefit the scientific community, we have made the consistency tests available in an open-source Python package.

Clinically deployed segmentation models are known to fail on data outside of their training distribution. As these models perform well on most cases, it is imperative to detect out-of-distribution (OOD) images at inference to protect against automation bias. This work applies the Mahalanobis distance post hoc to the bottleneck features of a Swin UNETR model that segments the liver on T1-weighted magnetic resonance imaging. By reducing the dimensions of the bottleneck features with principal component analysis, OOD images were detected with high performance and minimal computational load.

The prevalence and strong capability of large language models (LLMs) present significant safety and ethical risks if exploited by malicious users. To prevent the potentially deceptive usage of LLMs, recent works have proposed algorithms to detect LLM-generated text and protect LLMs. In this paper, we investigate the robustness and reliability of these LLM detectors under adversarial attacks. We study two types of attack strategies: 1) replacing certain words in an LLM's output with their synonyms given the context; 2) automatically searching for an instructional prompt to alter the writing style of the generation. In both strategies, we leverage an auxiliary LLM to generate the word replacements or the instructional prompt. Different from previous works, we consider a challenging setting where the auxiliary LLM can also be protected by a detector. Experiments reveal that our attacks effectively compromise the performance of all detectors in the study with plausible generations, underscoring the urgent need to improve the robustness of LLM-generated text detection systems.