The discovery of novel antibiotics is critical to address the growing antimicrobial resistance (AMR). However, pharmaceutical industries face high costs (over $1 billion), long timelines, and a high failure rate, worsened by the rediscovery of known compounds. We propose an LLM-based pipeline that acts as an alarm system, detecting prior evidence of antibiotic activity to prevent costly rediscoveries. The system integrates organism and chemical literature into a Knowledge Graph (KG), ensuring taxonomic resolution, synonym handling, and multi-level evidence classification. We tested the pipeline on a private list of 73 potential antibiotic-producing organisms, disclosing 12 negative hits for evaluation. The results highlight the effectiveness of the pipeline for evidence reviewing, reducing false negatives, and accelerating decision-making. The KG for negative hits and the user interface for interactive exploration will be made publicly available.

Despite the accelerating presence of exploratory causal analysis in modern science and medicine, the available non-experimental methods for validating causal models are not well characterized. One of the most popular methods is to evaluate the stability of model features after resampling the data, similar to resampling methods for estimating confidence intervals in statistics. Many aspects of this approach have received little to no attention, however, such as whether the choice of resampling method should depend on the sample size, algorithms being used, or algorithm tuning parameters. We present theoretical results proving that certain resampling methods closely emulate the assignment of specific values to algorithm tuning parameters. We also report the results of extensive simulation experiments, which verify the theoretical result and provide substantial data to aid researchers in further characterizing resampling in the context of causal discovery analysis. Together, the theoretical work and simulation results provide specific guidance on how resampling methods and tuning parameters should be selected in practice.

Control barrier functions (CBFs) play a crucial role in achieving the safety-critical control of robotic systems theoretically. However, most existing methods rely on the analytical expressions of unsafe state regions, which is often impractical for irregular and dynamic unsafe regions. In this paper, a novel CBF construction approach, called CoIn-SafeLink, is proposed based on cost-sensitive incremental random vector functional-link (RVFL) neural networks. By designing an appropriate cost function, CoIn-SafeLink achieves differentiated sensitivities to safe and unsafe samples, effectively achieving zero false-negative risk in unsafe sample classification. Additionally, an incremental update theorem for CoIn-SafeLink is proposed, enabling precise adjustments in response to changes in the unsafe region. Finally, the gradient analytical expression of the CoIn-SafeLink is provided to calculate the control input. The proposed method is validated on a 3-degree-of-freedom drone attitude control system. Experimental results demonstrate that the method can effectively learn the unsafe region boundaries and rapidly adapt as these regions evolve, with an update speed approximately five times faster than comparison methods. The source code is available at https://github.com/songqiaohu/CoIn-SafeLink.

Despite advances in Automatic Speech Recognition (ASR), transcription errors persist and require manual correction. Confidence scores, which indicate the certainty of ASR results, could assist users in identifying and correcting errors. This study evaluates the reliability of confidence scores for error detection through a comprehensive analysis of end-to-end ASR models and a user study with 36 participants. The results show that while confidence scores correlate with transcription accuracy, their error detection performance is limited. Classifiers frequently miss errors or generate many false positives, undermining their practical utility. Confidence-based error detection neither improved correction efficiency nor was perceived as helpful by participants. These findings highlight the limitations of confidence scores and the need for more sophisticated approaches to improve user interaction and explainability of ASR results.

Federated learning (FL) algorithms commonly aim to maximize clients' accuracy by training a model on their collective data. However, in several FL applications, the model's decisions should meet a group fairness constraint to be independent of sensitive attributes such as gender or race. While such group fairness constraints can be incorporated into the objective function of the FL optimization problem, in this work, we show that such an approach would lead to suboptimal classification accuracy in an FL setting with heterogeneous client distributions. To achieve an optimal accuracy-group fairness trade-off, we propose the Personalized Federated Learning for Client-Level Group Fairness (pFedFair) framework, where clients locally impose their fairness constraints over the distributed training process. Leveraging the image embedding models, we extend the application of pFedFair to computer vision settings, where we numerically show that pFedFair achieves an optimal group fairness-accuracy trade-off in heterogeneous FL settings. We present the results of several numerical experiments on benchmark and synthetic datasets, which highlight the suboptimality of non-personalized FL algorithms and the improvements made by the pFedFair method.

Neuroblastoma (NB), a leading cause of childhood cancer mortality, exhibits significant histopathological variability, necessitating precise subtyping for accurate prognosis and treatment. Traditional diagnostic methods rely on subjective evaluations that are time-consuming and inconsistent. To address these challenges, we introduce MMLNB, a multi-modal learning (MML) model that integrates pathological images with generated textual descriptions to improve classification accuracy and interpretability. The approach follows a two-stage process. First, we fine-tune a Vision-Language Model (VLM) to enhance pathology-aware text generation. Second, the fine-tuned VLM generates textual descriptions, using a dual-branch architecture to independently extract visual and textual features. These features are fused via Progressive Robust Multi-Modal Fusion (PRMF) Block for stable training. Experimental results show that the MMLNB model is more accurate than the single modal model. Ablation studies demonstrate the importance of multi-modal fusion, fine-tuning, and the PRMF mechanism. This research creates a scalable AI-driven framework for digital pathology, enhancing reliability and interpretability in NB subtyping classification. Our source code is available at https://github.com/HovChen/MMLNB.

Deep Learning (DL) models processing images to recognize the health state of large infrastructure components can exhibit biases and rely on non-causal shortcuts. eXplainable Artificial Intelligence (XAI) can address these issues but manually analyzing explanations generated by XAI techniques is time-consuming and prone to errors. This work proposes a novel framework that combines post-hoc explanations with semi-supervised learning to automatically identify anomalous explanations that deviate from those of correctly classified images and may therefore indicate model abnormal behaviors. This significantly reduces the workload for maintenance decision-makers, who only need to manually reclassify images flagged as having anomalous explanations. The proposed framework is applied to drone-collected images of insulator shells for power grid infrastructure monitoring, considering two different Convolutional Neural Networks (CNNs), GradCAM explanations and Deep Semi-Supervised Anomaly Detection. The average classification accuracy on two faulty classes is improved by 8% and maintenance operators are required to manually reclassify only 15% of the images. We compare the proposed framework with a state-of-the-art approach based on the faithfulness metric: the experimental results obtained demonstrate that the proposed framework consistently achieves F_1 scores larger than those of the faithfulness-based approach. Additionally, the proposed framework successfully identifies correct classifications that result from non-causal shortcuts, such as the presence of ID tags printed on insulator shells.

Quantification (Esuli et al. 2023; González et al. 2017) is the machine learning task of estimating the prevalence (or proportions) of each class in a dataset. Unlike standard classification, which focuses on predicting a label for each individual example, quantification works at the aggregate level by estimating the overall fraction of unlabeled instances belonging to each class. Real-world applications of quantification include but are not limited to ecological modeling (González et al. 2017) (i.e., to characterize entire populations of living species) and market research (Sebastiani 2018) (i.e., for estimating market shares of different products or services). Quantification methods are explicitly designed to account for dataset shift, which occurs when the statistical properties of the training data differ from those of the test data, due to changes in input features, labels, or their relationships. Most quantification methods are tailored to one specific type of dataset shift, namely, prior probability shift (PPS), also referred to as "label shift" (Storkey 2009).

Foundation models (FMs) have achieved remarkable success across various domains, yet their adoption in healthcare remains limited. While significant advances have been made in medical imaging, genetic biomarkers, and time series from electronic health records, the potential of FMs for patient behavior monitoring through wearable devices remains underexplored. These datasets are inherently heterogeneous, multisource, and often exhibit high rates of missing data, posing unique challenges. This paper introduces a novel FM based on a modified vector quantized variational autoencoder (VQ-VAE), specifically designed to process real-world data from wearable devices. We demonstrate that our pretrained FM, trained on a broad cohort of psychiatric patients, performs downstream tasks via its latent representation without fine-tuning on a held-out cohort of suicidal patients. To illustrate this, we develop a probabilistic change-point detection algorithm for suicide detection and demonstrate the FM's effectiveness in predicting emotional states. Our results show that the discrete latent structure of the VQ-VAE outperforms a state-of-the-art Informer architecture in unsupervised suicide detection, while matching its performance in supervised emotion prediction when the latent dimensionality is increased, though at the cost of reduced unsupervised accuracy. This trade-off highlights the need for future FMs to integrate hybrid discrete-continuous structures for balanced performance across tasks.

Traditional Multi-level Hierarchical Classification (MLHC) classifiers often rely on backbone models with $n$ independent output layers. This structure tends to overlook the hierarchical relationships between classes, leading to inconsistent predictions that violate the underlying taxonomy. Additionally, once a backbone architecture for an MLHC classifier is selected, adapting the model to accommodate new tasks can be challenging. For example, incorporating fairness to protect sensitive attributes within a hierarchical classifier necessitates complex adjustments to maintain the class hierarchy while enforcing fairness constraints. In this paper, we extend this concept to hierarchical classification by introducing a fair, model-agnostic layer designed to enforce taxonomy and optimize specific objectives, including consistency, fairness, and exact match. Our evaluations demonstrate that the proposed layer not only improves the fairness of predictions but also enforces the taxonomy, resulting in consistent predictions and superior performance. Compared to Large Language Models (LLMs) employing in-processing de-biasing techniques and models without any bias correction, our approach achieves better outcomes in both fairness and accuracy, making it particularly valuable in sectors like e-commerce, healthcare, and education, where predictive reliability is crucial.