The fairness-accuracy trade-off is a key challenge in NLP tasks. Current work focuses on finding a single "optimal" solution to balance the two objectives, which is limited considering the diverse solutions on the Pareto front. This work intends to provide controllable trade-offs according to the user's preference of the two objectives, which is defined as a reference vector. To achieve this goal, we apply multi-objective optimization (MOO), which can find solutions from various regions of the Pareto front. However, it is challenging to precisely control the trade-off due to the stochasticity of the training process and the high dimentional gradient vectors. Thus, we propose Controllable Pareto Trade-off (CPT) that can effectively train models to perform different trade-offs according to users' preferences. CPT 1) stabilizes the fairness update with a moving average of stochastic gradients to determine the update direction, and 2) prunes the gradients by only keeping the gradients of the critical parameters. We evaluate CPT on hate speech detection and occupation classification tasks. Experiments show that CPT can achieve a higher-quality set of solutions on the Pareto front than the baseline methods. It also exhibits better controllability and can precisely follow the human-defined reference vectors.

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern data-driven approaches have increased the demand for data. In response to the growing demand for explainable AI (XAI) and to bridge the gap between predictive accuracy and human comprehensibility, we introduce LAMeL - a Linear Algorithm for Meta-Learning that preserves interpretability while improving the prediction accuracy across multiple properties. While most approaches treat each chemical prediction task in isolation, LAMeL leverages a meta-learning framework to identify shared model parameters across related tasks, even if those tasks do not share data, allowing it to learn a common functional manifold that serves as a more informed starting point for new unseen tasks. Our method delivers performance improvements ranging from 1.1- to 25-fold over standard ridge regression, depending on the domain of the dataset. While the degree of performance enhancement varies across tasks, LAMeL consistently outperforms or matches traditional linear methods, making it a reliable tool for chemical property prediction where both accuracy and interpretability are critical.

Vision-Language Models (VLMs), such as CLIP, have demonstrated remarkable zero-shot out-of-distribution (OOD) detection capabilities, vital for reliable AI systems. Despite this promising capability, a comprehensive understanding of (1) why they work so effectively, (2) what advantages do they have over single-modal methods, and (3) how is their behavioral robustness -- remains notably incomplete within the research community. This paper presents a systematic empirical analysis of VLM-based OOD detection using in-distribution (ID) and OOD prompts. (1) Mechanisms: We systematically characterize and formalize key operational properties within the VLM embedding space that facilitate zero-shot OOD detection. (2) Advantages: We empirically quantify the superiority of these models over established single-modal approaches, attributing this distinct advantage to the VLM's capacity to leverage rich semantic novelty. (3) Sensitivity: We uncovers a significant and previously under-explored asymmetry in their robustness profile: while exhibiting resilience to common image noise, these VLM-based methods are highly sensitive to prompt phrasing. Our findings contribute a more structured understanding of the strengths and critical vulnerabilities inherent in VLM-based OOD detection, offering crucial, empirically-grounded guidance for developing more robust and reliable future designs.

Understanding humor is a core aspect of social intelligence, yet it remains a significant challenge for Large Multimodal Models (LMMs). We introduce PixelHumor, a benchmark dataset of 2,800 annotated multi-panel comics designed to evaluate LMMs' ability to interpret multimodal humor and recognize narrative sequences. Experiments with state-of-the-art LMMs reveal substantial gaps: for instance, top models achieve only 61% accuracy in panel sequencing, far below human performance. This underscores critical limitations in current models' integration of visual and textual cues for coherent narrative and humor understanding. By providing a rigorous framework for evaluating multimodal contextual and narrative reasoning, PixelHumor aims to drive the development of LMMs that better engage in natural, socially aware interactions.

Traditional backdoor attacks in federated learning (FL) operate within constrained attack scenarios, as they depend on visible triggers and require physical modifications to the target object, which limits their practicality. To address this limitation, we introduce a novel backdoor attack prototype for FL called the out-of-distribution (OOD) backdoor attack ($\mathtt{OBA}$), which uses OOD data as both poisoned samples and triggers simultaneously. Our approach significantly broadens the scope of backdoor attack scenarios in FL. To improve the stealthiness of $\mathtt{OBA}$, we propose $\mathtt{SoDa}$, which regularizes both the magnitude and direction of malicious local models during local training, aligning them closely with their benign versions to evade detection. Empirical results demonstrate that $\mathtt{OBA}$ effectively circumvents state-of-the-art defenses while maintaining high accuracy on the main task. To address this security vulnerability in the FL system, we introduce $\mathtt{BNGuard}$, a new server-side defense method tailored against $\mathtt{SoDa}$. $\mathtt{BNGuard}$ leverages the observation that OOD data causes significant deviations in the running statistics of batch normalization layers. This allows $\mathtt{BNGuard}$ to identify malicious model updates and exclude them from aggregation, thereby enhancing the backdoor robustness of FL. Extensive experiments across various settings show the effectiveness of $\mathtt{BNGuard}$ on defending against $\mathtt{SoDa}$. The code is available at https://github.com/JiiahaoXU/SoDa-BNGuard.

Fragment-based drug design is a promising strategy leveraging the binding of small chemical moieties that can efficiently guide drug discovery. The initial step of fragment identification remains challenging, as fragments often bind weakly and non-specifically. We developed a protein-fragment encoder that relies on a contrastive learning approach to map both molecular fragments and protein surfaces in a shared latent space. The encoder captures interaction-relevant features and allows to perform virtual screening as well as generative design with our new method LatentFrag. In LatentFrag, fragment embeddings and positions are generated conditioned on the protein surface while being chemically realistic by construction. Our expressive fragment and protein representations allow location of protein-fragment interaction sites with high sensitivity and we observe state-of-the-art fragment recovery rates when sampling from the learned distribution of latent fragment embeddings. Our generative method outperforms common methods such as virtual screening at a fraction of its computational cost providing a valuable starting point for fragment hit discovery. We further show the practical utility of LatentFrag and extend the workflow to full ligand design tasks. Together, these approaches contribute to advancing fragment identification and provide valuable tools for fragment-based drug discovery.

We investigate individual fairness in generative probabilistic classifiers by analysing the robustness of posterior inferences to perturbations in private features. Building on established results in robustness analysis, we hypothesise a correlation between robustness and predictive accuracy, specifically, instances exhibiting greater robustness are more likely to be classified accurately. We empirically assess this hypothesis using a benchmark of fourteen datasets with fairness concerns, employing Bayesian networks as the underlying generative models. To address the computational complexity associated with robustness analysis over multiple private features with Bayesian networks, we reformulate the problem as a most probable explanation task in an auxiliary Markov random field. Our experiments confirm the hypothesis about the correlation, suggesting novel directions to mitigate the traditional trade-off between fairness and accuracy.

Self-adaptive robots (SARs) in complex, uncertain environments must proactively detect and address abnormal behaviors, including out-of-distribution (OOD) cases. To this end, digital twins offer a valuable solution for OOD detection. Thus, we present a digital twin-based approach for OOD detection (ODiSAR) in SARs. ODiSAR uses a Transformer-based digital twin to forecast SAR states and employs reconstruction error and Monte Carlo dropout for uncertainty quantification. By combining reconstruction error with predictive variance, the digital twin effectively detects OOD behaviors, even in previously unseen conditions. The digital twin also includes an explainability layer that links potential OOD to specific SAR states, offering insights for self-adaptation. We evaluated ODiSAR by creating digital twins of two industrial robots: one navigating an office environment, and another performing maritime ship navigation. In both cases, ODiSAR forecasts SAR behaviors (i.e., robot trajectories and vessel motion) and proactively detects OOD events. Our results showed that ODiSAR achieved high detection performance -- up to 98\% AUROC, 96\% TNR@TPR95, and 95\% F1-score -- while providing interpretable insights to support self-adaptation.

Anomaly detection and classification in medical imaging are critical for early diagnosis but remain challenging due to limited annotated data, class imbalance, and the high cost of expert labeling. Emerging vision foundation models such as DINOv2, pretrained on extensive, unlabeled datasets, offer generalized representations that can potentially alleviate these limitations. In this study, we propose an attention-based global aggregation framework tailored specifically for 3D medical image anomaly classification. Leveraging the self-supervised DINOv2 model as a pretrained feature extractor, our method processes individual 2D axial slices of brain MRIs, assigning adaptive slice-level importance weights through a soft attention mechanism. To further address data scarcity, we employ a composite loss function combining supervised contrastive learning with class-variance regularization, enhancing inter-class separability and intra-class consistency. We validate our framework on the ADNI dataset and an institutional multi-class headache cohort, demonstrating strong anomaly classification performance despite limited data availability and significant class imbalance. Our results highlight the efficacy of utilizing pretrained 2D foundation models combined with attention-based slice aggregation for robust volumetric anomaly detection in medical imaging. Our implementation is publicly available at https://github.com/Rafsani/DinoAtten3D.git.

The COVID-19 pandemic has placed unprecedented strain on healthcare systems and remains a global health concern, especially with the emergence of new variants. Although real-time polymerase chain reaction (RT-PCR) is considered the gold standard for COVID-19 detection, it is expensive, time-consuming, labor-intensive, and sensitive to issues with RNA extraction. In this context, ATR-FTIR spectroscopy analysis of biofluids offers a reagent-free, cost-effective alternative for COVID-19 detection. We propose a novel architecture that combines Convolutional Neural Networks (CNN) with Bidirectional Long Short-Term Memory (BiLSTM) networks, referred to as CNN-BiLSTM, to process spectra generated by ATR-FTIR spectroscopy and diagnose COVID-19 from spectral samples. We compare the performance of this architecture against a standalone CNN and other state-of-the-art machine learning techniques. Experimental results demonstrate that our CNN-BiLSTM model outperforms all other models, achieving an average accuracy and F1-score of 0.80 on a challenging real-world COVID-19 dataset. The addition of the BiLSTM layer to the CNN architecture significantly enhances model performance, making CNN-BiLSTM a more accurate and reliable choice for detecting COVID-19 using ATR-FTIR spectra of non-invasive saliva samples.