Learning a classifier from positive and unlabeled data is an important class of classification problems that are conceivable in many practical applications. In this paper, we first show that this problem can be solved by cost-sensitive learning between positive and unlabeled data. We then show that convex surrogate loss functions such as the hinge loss may lead to a wrong classification boundary due to an intrinsic bias, but the problem can be avoided by using non-convex loss functions such as the ramp loss. We next analyze the excess risk when the class prior is estimated from data, and show that the classification accuracy is not sensitive to class prior estimation if the unlabeled data is dominated by the positive data (this is naturally satisfied in inlier-based outlier detection because inliers are dominant in the unlabeled dataset). Finally, we provide generalization error bounds and show that, for an equal number of labeled and unlabeled samples, the generalization error of learning only from positive and unlabeled samples is no worse than 2 2 times the fully supervised case. These theoretical findings are also validated through experiments.

Internet of things (IoT) networks, boosted by 6G technology, are transforming various industries. However, their widespread adoption introduces significant security risks, particularly in detecting rare but potentially damaging cyber-attacks. This makes the development of robust IDS crucial for monitoring network traffic and ensuring their safety. Traditional IDS often struggle with detecting rare attacks due to severe class imbalances in IoT data. In this paper, we propose a novel two-stage system called conditional tabular generative synthetic minority data generation with deep neural network (CTGSM-DNN). In the first stage, a conditional tabular generative adversarial network (CTGAN) is employed to generate synthetic data for rare attack classes. In the second stage, the SMOTEENN method is applied to improve dataset quality. The full study was conducted using the CSE-CIC-IDS2018 dataset, and we assessed the performance of the proposed IDS using different evaluation metrics. The experimental results demonstrated the effectiveness of the proposed multiclass classifier, achieving an overall accuracy of 99.90% and 80% accuracy in detecting rare attacks.

We developed the Enhanced Transformer for Health Outcome Simulation (ETHOS), an AI model that tokenizes patient health timelines (PHTs) from EHRs. ETHOS predicts future PHTs using transformer-based architectures. The Adaptive Risk Estimation System (ARES) employs ETHOS to compute dynamic and personalized risk probabilities for clinician-defined critical events. ARES incorporates a personalized explainability module that identifies key clinical factors influencing risk estimates for individual patients. ARES was evaluated on the MIMIC-IV v2.2 dataset in emergency department (ED) settings, benchmarking its performance against traditional early warning systems and machine learning models. We processed 299,721 unique patients from MIMIC-IV into 285,622 PHTs, with 60% including hospital admissions. The dataset contained over 357 million tokens. ETHOS outperformed benchmark models in predicting hospital admissions, ICU admissions, and prolonged hospital stays, achieving superior AUC scores. ETHOS-based risk estimates demonstrated robustness across demographic subgroups with strong model reliability, confirmed via calibration curves. The personalized explainability module provides insights into patient-specific factors contributing to risk. ARES, powered by ETHOS, advances predictive healthcare AI by providing dynamic, real-time, and personalized risk estimation with patient-specific explainability to enhance clinician trust. Its adaptability and superior accuracy position it as a transformative tool for clinical decision-making, potentially improving patient outcomes and resource allocation in emergency and inpatient settings. We release the full code at github.com/ipolharvard/ethos-ares to facilitate future research.

Discovery of high-performance materials and molecules requires identifying extremes with property values that fall outside the known distribution. Therefore, the ability to extrapolate to out-of-distribution (OOD) property values is critical for both solid-state materials and molecular design. Our objective is to train predictor models that extrapolate zero-shot to higher ranges than in the training data, given the chemical compositions of solids or molecular graphs and their property values. We propose using a transductive approach to OOD property prediction, achieving improvements in prediction accuracy. In particular, the True Positive Rate (TPR) of OOD classification of materials and molecules improved by 3x and 2.5x, respectively, and precision improved by 2x and 1.5x compared to non-transductive baselines. Our method leverages analogical input-target relations in the training and test sets, enabling generalization beyond the training target support, and can be applied to any other material and molecular tasks.

Current Vision Language Models (VLMs) remain vulnerable to malicious prompts that induce harmful outputs. Existing safety benchmarks for VLMs primarily rely on automated evaluation methods, but these methods struggle to detect implicit harmful content or produce inaccurate evaluations. Therefore, we found that existing benchmarks have low levels of harmfulness, ambiguous data, and limited diversity in image-text pair combinations. To address these issues, we propose the ELITE benchmark, a high-quality safety evaluation benchmark for VLMs, underpinned by our enhanced evaluation method, the ELITE evaluator. The ELITE evaluator explicitly incorporates a toxicity score to accurately assess harmfulness in multimodal contexts, where VLMs often provide specific, convincing, but unharmful descriptions of images. We filter out ambiguous and low-quality image-text pairs from existing benchmarks using the ELITE evaluator and generate diverse combinations of safe and unsafe image-text pairs. Our experiments demonstrate that the ELITE evaluator achieves superior alignment with human evaluations compared to prior automated methods, and the ELITE benchmark offers enhanced benchmark quality and diversity. By introducing ELITE, we pave the way for safer, more robust VLMs, contributing essential tools for evaluating and mitigating safety risks in real-world applications.

The advancement of large language models (LLMs) has made it difficult to differentiate human-written text from AI-generated text. Several AI-text detectors have been developed in response, which typically utilize a fixed global threshold (e.g., {\theta} = 0.5) to classify machine-generated text. However, we find that one universal threshold can fail to account for subgroup-specific distributional variations. For example, when using a fixed threshold, detectors make more false positive errors on shorter human-written text than longer, and more positive classifications on neurotic writing styles than open among long text. These discrepancies can lead to misclassification that disproportionately affects certain groups. We address this critical limitation by introducing FairOPT, an algorithm for group-specific threshold optimization in AI-generated content classifiers. Our approach partitions data into subgroups based on attributes (e.g., text length and writing style) and learns decision thresholds for each group, which enables careful balancing of performance and fairness metrics within each subgroup. In experiments with four AI text classifiers on three datasets, FairOPT enhances overall F1 score and decreases balanced error rate (BER) discrepancy across subgroups. Our framework paves the way for more robust and fair classification criteria in AI-generated output detection.

Off-policy evaluation (OPE) is a critical challenge in robust decision-making that seeks to assess the performance of a new policy using data collected under a different policy. However, the existing OPE methodologies suffer from several limitations arising from statistical uncertainty as well as causal considerations. In this thesis, we address these limitations by presenting three different works. Firstly, we consider the problem of high variance in the importance-sampling-based OPE estimators. We introduce the Marginal Ratio (MR) estimator, a novel OPE method that reduces variance by focusing on the marginal distribution of outcomes rather than direct policy shifts, improving robustness in contextual bandits. Next, we propose Conformal Off-Policy Prediction (COPP), a principled approach for uncertainty quantification in OPE that provides finite-sample predictive intervals, ensuring robust decision-making in risk-sensitive applications. Finally, we address causal unidentifiability in off-policy decision-making by developing novel bounds for sequential decision settings, which remain valid under arbitrary unmeasured confounding. We apply these bounds to assess the reliability of digital twin models, introducing a falsification framework to identify scenarios where model predictions diverge from real-world behaviour. Our contributions provide new insights into robust decision-making under uncertainty and establish principled methods for evaluating policies in both static and dynamic settings.

Despite graph neural networks' (GNNs) great success in modelling graphstructured data, out-of-distribution (OOD) test instances still pose a great challenge for current GNNs. One of the most effective techniques to detect OOD nodes is to expose the detector model with an additional OOD node-set, yet the extra OOD instances are often difficult to obtain in practice. Recent methods for image data address this problem using OOD data synthesis, typically relying on pre-trained generative models like Stable Diffusion. However, these approaches require vast amounts of additional data, as well as one-for-all pre-trained generative models, which are not available for graph data. Therefore, we propose the GOLD framework for graph OOD detection, an implicit adversarial learning pipeline with synthetic OOD exposure without pre-trained models. The implicit adversarial training process employs a novel alternating optimisation framework by training: (1) a latent generative model to regularly imitate the in-distribution (ID) embeddings from an evolving GNN, and (2) a GNN encoder and an OOD detector to accurately classify ID data while increasing the energy divergence between the ID embeddings and the generative model's synthetic embeddings. This novel approach implicitly transforms the synthetic embeddings into pseudo-OOD instances relative to the ID data, effectively simulating exposure to OOD scenarios without auxiliary data. Extensive OOD detection experiments are conducted on five benchmark graph datasets, verifying the superior performance of GOLD without using real OOD data compared with the state-of-the-art OOD exposure and non-exposure baselines. The proliferation of Graph Neural Networks (GNNs) across diverse domains and real-world applications has underscored the importance of robust and reliable predictive systems (Kipf & Welling, 2017; Hamilton et al., 2017). Their performance relies crucially on the assumption that the testing data follows the same distribution as the training data (Li et al., 2023; Kipf & Welling, 2017; Yu et al., 2023; Hamilton et al., 2017). This assumption is frequently violated in practice, as real-world graph data is generally filled with out-of-distribution (OOD) instances (Bitterwolf et al., 2020; Chen et al., 2022; Ding et al., 2021; Zhou et al., 2022; Li et al., 2022a; Yang et al., 2022).

Efficient data management is essential for organizations to ensure that sensitive information such as Personally Identifiable Information (PII), Protected Health Information (PHI) and financial records are systematically identified and protected. Effective classification aids in compliance with regulations such as the General Data Protection Regulation (GDPR) and the Health Insurance Portability and Accountability Act (HIPAA), while mitigating security risks through real-time threat detection[3] Automated tools improve operational efficiency by streamlining access and eliminating redundancies. Customized classification systems fulfill global compliance requirements, while centralized control mechanisms enhance governance through unified policy enforcement.[4] Strategic data classification is crucial to achieve security, compliance, and operational effectiveness in the digital environment of today. Identifying PII and PHI across various data formats presents considerable challenges, particularly with unstructured data sets. Differences in encoding and file formats (e.g., PDFs, Word documents, databases, CSV, and other text files) and data storage systems complicate the consistent extraction of sensitive information [5]. Moreover, international regulations such as GDPR, HIPAA, and the California Consumer Privacy Act (CCPA) impose varied compliance mandates, adding further complexity to detection efforts. Customizing detection mechanisms to align with region-specific regulations while ensuring accuracy across different content types is formidable. The necessity for real-time detection and the reduction of false positives amplifies this challenge, necessitating advanced algorithms and comprehensive data management strategies.

MoEMba: A Mamba-based Mixture of Experts for High-Density EMG-based Hand Gesture Recognition Mehran Shabanpour, Kasra Rad, Sadaf Khademi, and Arash Mohammadi Abstract -- High-Density surface Electromyography (HD-sEMG) has emerged as a pivotal resource for Human-Computer Interaction (HCI), offering direct insights into muscle activities and motion intentions. However, a significant challenge in practical implementations of HD-sEMG-based models is the low accuracy of inter-session and inter-subject classification. V ariability between sessions can reach up to 40% due to the inherent temporal variability of HD-sEMG signals. T argeting this challenge, the paper introduces the MoEMba framework, a novel approach leveraging Selective State-Space Models (SSMs) to enhance HD-sEMG-based gesture recognition. Furthermore, wavelet feature modulation is integrated to capture multi-scale temporal and spatial relations, improving signal representation. Experimental results on the CapgMyo HD-sEMG dataset demonstrate that MoEMba achieves a balanced accuracy of 56 .9% The proposed framework's robustness to session-to-session variability and its efficient handling of high-dimensional multivariate time series data highlight its potential for advancing HD-sEMG-powered HCI systems.